186 1016 111283D 186 32 33 1 1 V2000 4.1313 -2.8417 2.0480 O 0 0 0 0 0 0 0 0 0 0.2212 1.5776 0.1466 O 0 0 0 0 0 0 0 0 0 1.0154 -2.0607 0.5393 C 0 0 0 0 0 0 0 0 0 2.0127 -2.8257 1.0209 C 0 0 0 0 0 0 0 0 0 1.1248 -0.5625 0.6269 C 0 0 0 0 0 0 0 0 0 0.1400 0.2129 0.1483 C 0 0 0 0 0 0 0 0 0 2.3308 0.0909 1.2475 C 0 0 0 0 0 0 0 0 0 3.2220 -2.1691 1.6248 C 0 0 0 0 0 0 0 0 0 3.3311 -0.6725 1.7166 C 0 0 0 0 0 0 0 0 0 2.3518 1.5972 1.3135 C 0 0 1 0 0 0 0 0 0 1.5204 2.1466 0.1502 C 0 0 1 0 0 0 0 0 0 2.0034 -4.3297 0.9980 C 0 0 0 0 0 0 0 0 0 1.0805 -4.9775 0.4865 O 0 0 0 0 0 0 0 0 0 3.0271 -5.0245 1.5488 O 0 0 0 0 0 0 0 0 0 -0.1281 -2.5198 -0.0429 O 0 0 0 0 0 0 0 0 0 4.5689 -0.0804 2.3355 C 0 0 0 0 0 0 0 0 0 1.7456 2.0576 2.6409 C 0 0 0 0 0 0 0 0 0 2.2034 1.9305 -1.2039 C 0 0 0 0 0 0 0 0 0 -0.7278 -0.2393 -0.2365 H 0 0 0 0 0 0 0 0 0 3.3582 1.9818 1.2344 H 0 0 0 0 0 0 0 0 0 1.4129 3.2151 0.2782 H 0 0 0 0 0 0 0 0 0 2.8377 -5.9494 1.4462 H 0 0 0 0 0 0 0 0 0 -0.1731 -3.4637 -0.1109 H 0 0 0 0 0 0 0 0 0 5.2373 -0.8634 2.6636 H 0 0 0 0 0 0 0 0 0 5.0867 0.5281 1.6085 H 0 0 0 0 0 0 0 0 0 4.3035 0.5237 3.1902 H 0 0 0 0 0 0 0 0 0 1.7756 3.1361 2.6999 H 0 0 0 0 0 0 0 0 0 0.7179 1.7308 2.7152 H 0 0 0 0 0 0 0 0 0 2.3044 1.6491 3.4697 H 0 0 0 0 0 0 0 0 0 1.5920 2.3605 -1.9836 H 0 0 0 0 0 0 0 0 0 3.1715 2.4099 -1.2092 H 0 0 0 0 0 0 0 0 0 2.3317 0.8770 -1.4043 H 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 6 0 0 0 10 17 1 1 0 0 0 10 20 1 0 0 0 0 11 18 1 6 0 0 0 11 21 1 1 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 M END > 186 > K $$$$ 377 1016 111283D 377 49 52 0 1 V2000 5.5524 2.0716 0.6711 O 0 0 0 0 0 0 0 0 0 2.4983 5.0227 -2.3768 O 0 0 0 0 0 0 0 0 0 -0.0144 1.3566 0.0141 O 0 0 0 0 0 0 0 0 0 -1.4768 0.5046 -1.6603 C 0 0 0 0 0 0 0 0 0 -2.6847 0.5690 -2.3353 C 0 0 0 0 0 0 0 0 0 -1.1983 1.4181 -0.6516 C 0 0 0 0 0 0 0 0 0 -3.6146 1.5421 -2.0020 C 0 0 0 0 0 0 0 0 0 -2.1298 2.3920 -0.3165 C 0 0 0 0 0 0 0 0 0 -3.3379 2.4530 -0.9941 C 0 0 0 0 0 0 0 0 0 2.0673 0.2081 -0.0442 C 0 0 0 0 0 0 0 0 0 3.2239 -0.1349 -0.7261 C 0 0 0 0 0 0 0 0 0 1.1195 1.0183 -0.6554 C 0 0 0 0 0 0 0 0 0 1.3300 1.4856 -1.9464 C 0 0 0 0 0 0 0 0 0 3.4315 0.3310 -2.0144 C 0 0 0 0 0 0 0 0 0 2.4867 1.1400 -2.6249 C 0 0 0 0 0 0 0 0 0 4.7263 2.5574 -0.0679 C 0 0 0 0 0 0 0 0 0 4.9867 2.6530 -1.5169 C 0 0 0 0 0 0 0 0 0 3.4366 3.0631 0.4679 C 0 0 0 0 0 0 0 0 0 3.0417 2.7558 1.7648 C 0 0 0 0 0 0 0 0 0 1.8307 3.2401 2.2442 C 0 0 0 0 0 0 0 0 0 4.2024 3.4123 -2.3041 C 0 0 0 0 0 0 0 0 0 2.6183 3.8540 -0.3450 C 0 0 0 0 0 0 0 0 0 1.0195 4.0250 1.4384 C 0 0 0 0 0 0 0 0 0 3.0592 4.1685 -1.7285 C 0 0 0 0 0 0 0 0 0 1.4077 4.3364 0.1413 C 0 0 0 0 0 0 0 0 0 4.4572 3.4879 -3.6349 O 0 0 0 0 0 0 0 0 0 6.1404 1.8901 -2.1128 C 0 0 0 0 0 0 0 0 0 5.9088 0.3875 -1.9336 C 0 0 0 0 0 0 0 0 0 4.6891 -0.0420 -2.7529 C 0 0 0 0 0 0 0 0 0 -0.7584 -0.2517 -1.9167 H 0 0 0 0 0 0 0 0 0 -2.9012 -0.1350 -3.1159 H 0 0 0 0 0 0 0 0 0 -4.5503 1.5907 -2.5256 H 0 0 0 0 0 0 0 0 0 -1.9167 3.0978 0.4639 H 0 0 0 0 0 0 0 0 0 -4.0591 3.2055 -0.7382 H 0 0 0 0 0 0 0 0 0 1.9045 -0.1565 0.9526 H 0 0 0 0 0 0 0 0 0 3.9582 -0.7616 -0.2563 H 0 0 0 0 0 0 0 0 0 0.5974 2.1127 -2.4194 H 0 0 0 0 0 0 0 0 0 2.6513 1.4998 -3.6229 H 0 0 0 0 0 0 0 0 0 3.6654 2.1477 2.3940 H 0 0 0 0 0 0 0 0 0 1.5198 3.0059 3.2448 H 0 0 0 0 0 0 0 0 0 0.0863 4.3936 1.8206 H 0 0 0 0 0 0 0 0 0 0.7750 4.9449 -0.4787 H 0 0 0 0 0 0 0 0 0 3.8943 4.0330 -4.1990 H 0 0 0 0 0 0 0 0 0 6.2149 2.1211 -3.1746 H 0 0 0 0 0 0 0 0 0 7.0638 2.1767 -1.6128 H 0 0 0 0 0 0 0 0 0 6.7863 -0.1583 -2.2758 H 0 0 0 0 0 0 0 0 0 5.7340 0.1705 -0.8809 H 0 0 0 0 0 0 0 0 0 4.7150 -1.1199 -2.9038 H 0 0 0 0 0 0 0 0 0 4.7058 0.4608 -3.7189 H 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 24 2 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 2 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 14 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 29 1 0 0 0 0 14 15 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 27 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 23 1 0 0 0 0 20 40 1 0 0 0 0 21 26 1 0 0 0 0 21 24 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END > 377 > K $$$$ 740 1016 111283D 740 55 57 1 1 V2000 2.7898 -6.1913 2.3184 N 0 0 0 0 0 0 0 0 0 4.0435 -4.3264 0.7798 N 0 0 0 0 0 0 0 0 0 4.4193 -7.7793 1.7673 N 0 0 0 0 0 0 0 0 0 6.1893 -7.2188 0.3435 N 0 0 0 0 0 0 0 0 0 5.5483 -8.1214 1.1148 C 0 0 0 0 0 0 0 0 0 3.9220 -6.5293 1.6588 C 0 0 0 0 0 0 0 0 0 4.5616 -5.5770 0.8732 C 0 0 0 0 0 0 0 0 0 5.7212 -5.9586 0.2095 C 0 0 0 0 0 0 0 0 0 2.2619 -4.9487 2.2123 C 0 0 0 0 0 0 0 0 0 2.8957 -3.9996 1.4197 C 0 0 0 0 0 0 0 0 0 -1.2797 -1.9769 1.7988 C 0 0 0 0 0 0 0 0 0 -2.1139 -1.0669 2.4372 C 0 0 0 0 0 0 0 0 0 0.0702 -1.6984 1.6021 C 0 0 0 0 0 0 0 0 0 0.5560 -0.4725 2.0478 C 0 0 0 0 0 0 0 0 0 -1.6148 0.1452 2.8994 C 0 0 0 0 0 0 0 0 0 -0.2721 0.4381 2.6898 C 0 0 0 0 0 0 0 0 0 -0.6679 6.2707 3.8384 C 0 0 0 0 0 0 0 0 0 0.0486 6.8229 2.8328 O 0 0 0 0 0 0 0 0 0 -0.6945 6.8264 4.9453 O 0 0 0 0 0 0 0 0 0 -1.4190 4.9953 3.6028 C 0 0 0 0 0 0 0 0 0 -2.1588 4.5721 4.8711 C 0 0 0 0 0 0 0 0 0 -2.9276 3.2582 4.7205 C 0 0 1 0 0 0 0 0 0 -2.0523 2.1957 4.2874 N 0 0 0 0 0 0 0 0 0 -2.5265 1.1140 3.6116 C 0 0 0 0 0 0 0 0 0 -3.7199 0.9336 3.5875 O 0 0 0 0 0 0 0 0 0 -3.5338 3.0112 6.0744 C 0 0 0 0 0 0 0 0 0 -2.9543 2.2964 6.9037 O 0 0 0 0 0 0 0 0 0 -4.7203 3.5804 6.3964 O 0 0 0 0 0 0 0 0 0 0.9009 -2.6029 0.9869 N 0 0 0 0 0 0 0 0 0 0.3790 -3.5634 0.0407 C 0 0 0 0 0 0 0 0 0 2.3229 -2.6201 1.2671 C 0 0 0 0 0 0 0 0 0 6.4130 -5.0996 -0.5816 N 0 0 0 0 0 0 0 0 0 6.0379 -9.3734 1.2353 N 0 0 0 0 0 0 0 0 0 1.3779 -4.7048 2.7250 H 0 0 0 0 0 0 0 0 0 -1.6812 -2.8877 1.4656 H 0 0 0 0 0 0 0 0 0 -3.1296 -1.3005 2.5719 H 0 0 0 0 0 0 0 0 0 1.5635 -0.2189 1.9002 H 0 0 0 0 0 0 0 0 0 0.1331 1.3510 3.0112 H 0 0 0 0 0 0 0 0 0 0.4296 7.6241 3.1743 H 0 0 0 0 0 0 0 0 0 -2.1206 5.1442 2.7956 H 0 0 0 0 0 0 0 0 0 -0.7054 4.2369 3.3176 H 0 0 0 0 0 0 0 0 0 -1.4345 4.4592 5.6665 H 0 0 0 0 0 0 0 0 0 -2.8535 5.3539 5.1475 H 0 0 0 0 0 0 0 0 0 -3.7314 3.3930 4.0087 H 0 0 0 0 0 0 0 0 0 -1.1062 2.2516 4.4858 H 0 0 0 0 0 0 0 0 0 -4.9602 3.2546 7.2564 H 0 0 0 0 0 0 0 0 0 -0.4495 -3.1517 -0.5175 H 0 0 0 0 0 0 0 0 0 1.1422 -3.8550 -0.6674 H 0 0 0 0 0 0 0 0 0 0.0434 -4.4458 0.5671 H 0 0 0 0 0 0 0 0 0 2.5471 -2.1128 2.1942 H 0 0 0 0 0 0 0 0 0 2.8440 -2.1139 0.4669 H 0 0 0 0 0 0 0 0 0 7.2199 -5.4007 -1.0275 H 0 0 0 0 0 0 0 0 0 6.1072 -4.1870 -0.7050 H 0 0 0 0 0 0 0 0 0 6.8486 -9.6220 0.7665 H 0 0 0 0 0 0 0 0 0 5.5765 -10.0197 1.7908 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 1 6 1 0 0 0 0 2 10 2 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 36 1 0 0 0 0 13 29 1 0 0 0 0 13 14 1 0 0 0 0 14 16 2 0 0 0 0 14 37 1 0 0 0 0 15 24 1 0 0 0 0 15 16 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 6 0 0 0 22 26 1 0 0 0 0 22 44 1 1 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 28 46 1 0 0 0 0 29 31 1 0 0 0 0 29 30 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END > 740 > K $$$$ 749 1016 111283D 749 15 16 0 1 V2000 -0.0194 1.2677 0.0093 N 0 0 0 0 0 0 0 0 0 1.1636 -0.7087 -0.0129 N 0 0 0 0 0 0 0 0 0 1.0522 3.2403 0.0097 O 0 0 0 0 0 0 0 0 0 1.1414 -1.6773 -0.0180 H 0 0 0 0 0 0 0 0 0 3.7046 1.6776 -0.0242 N 0 0 0 0 0 0 0 0 0 4.0439 2.5875 -0.0224 H 0 0 0 0 0 0 0 0 0 3.6164 -0.5321 -0.0354 N 0 0 0 0 0 0 0 0 0 4.4449 0.5443 -0.0374 N 0 0 0 0 0 0 0 0 0 1.1096 2.0338 0.0026 C 0 0 0 0 0 0 0 0 0 2.4151 1.3108 -0.0139 C 0 0 0 0 0 0 0 0 0 2.3575 -0.0604 -0.0207 C 0 0 0 0 0 0 0 0 0 0.0033 0.0105 0.0023 C 0 0 0 0 0 0 0 0 0 -1.1682 -0.6595 0.0101 N 0 0 0 0 0 0 0 0 0 -2.0048 -0.1692 0.0210 H 0 0 0 0 0 0 0 0 0 -1.1790 -1.6282 0.0050 H 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 4 1 0 0 0 0 3 9 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > 749 > K $$$$ 750 1016 111283D 750 28 27 0 1 V2000 2.6857 -5.6801 4.4067 C 0 0 0 0 0 0 0 0 0 3.2456 -4.1909 3.5448 S 0 0 0 0 0 0 0 0 0 2.1337 -3.3305 3.2877 O 0 0 0 0 0 0 0 0 0 4.2141 -3.5033 4.3399 O 0 0 0 0 0 0 0 0 0 3.9139 -4.6080 2.1523 O 0 0 0 0 0 0 0 0 0 4.3665 -3.4468 1.4936 C 0 0 0 0 0 0 0 0 0 4.9629 -3.8859 0.1609 C 0 0 0 0 0 0 0 0 0 5.4883 -2.6893 -0.6324 C 0 0 0 0 0 0 0 0 0 6.0898 -3.1283 -1.9628 C 0 0 0 0 0 0 0 0 0 6.5462 -1.9667 -2.6180 O 0 0 0 0 0 0 0 0 0 7.2053 -2.3801 -4.0160 S 0 0 0 0 0 0 0 0 0 8.3082 -3.2553 -3.7702 O 0 0 0 0 0 0 0 0 0 6.2260 -3.0496 -4.8131 O 0 0 0 0 0 0 0 0 0 7.7789 -0.8899 -4.8669 C 0 0 0 0 0 0 0 0 0 1.9652 -6.1927 3.7880 H 0 0 0 0 0 0 0 0 0 3.5352 -6.3209 4.5861 H 0 0 0 0 0 0 0 0 0 2.2321 -5.3980 5.3442 H 0 0 0 0 0 0 0 0 0 3.5449 -2.7657 1.3155 H 0 0 0 0 0 0 0 0 0 5.1249 -2.9502 2.0840 H 0 0 0 0 0 0 0 0 0 5.7694 -4.5784 0.3558 H 0 0 0 0 0 0 0 0 0 4.1970 -4.3931 -0.4082 H 0 0 0 0 0 0 0 0 0 4.6811 -1.9983 -0.8302 H 0 0 0 0 0 0 0 0 0 6.2517 -2.1802 -0.0618 H 0 0 0 0 0 0 0 0 0 6.9107 -3.8095 -1.7820 H 0 0 0 0 0 0 0 0 0 5.3335 -3.6245 -2.5563 H 0 0 0 0 0 0 0 0 0 8.5116 -0.3938 -4.2491 H 0 0 0 0 0 0 0 0 0 8.2205 -1.1682 -5.8113 H 0 0 0 0 0 0 0 0 0 6.9369 -0.2354 -5.0323 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END > 750 > K $$$$ 755 1016 111283D 755 14 15 0 1 V2000 -0.0241 1.2825 0.0094 N 0 0 0 0 0 0 0 0 0 1.0143 3.6216 0.0121 S 0 0 0 0 0 0 0 0 0 1.1734 -0.6860 -0.0128 N 0 0 0 0 0 0 0 0 0 1.1640 -1.6556 -0.0177 H 0 0 0 0 0 0 0 0 0 3.6929 1.7276 -0.0248 N 0 0 0 0 0 0 0 0 0 4.0290 2.6377 -0.0234 H 0 0 0 0 0 0 0 0 0 3.6201 -0.4985 -0.0359 N 0 0 0 0 0 0 0 0 0 1.0978 2.0640 0.0028 C 0 0 0 0 0 0 0 0 0 2.4067 1.3467 -0.0142 C 0 0 0 0 0 0 0 0 0 2.3612 -0.0270 -0.0209 C 0 0 0 0 0 0 0 0 0 4.4243 0.5921 -0.0382 C 0 0 0 0 0 0 0 0 0 0.0006 0.0230 0.0024 C 0 0 0 0 0 0 0 0 0 5.4757 0.5538 -0.0488 H 0 0 0 0 0 0 0 0 0 -0.9137 -0.4971 0.0085 H 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 4 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 7 11 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 M END > 755 > K $$$$ 757 1016 111283D 757 54 56 1 1 V2000 7.9747 2.8709 1.1108 O 0 0 0 0 0 0 0 0 0 4.3579 -0.3663 -1.5282 H 0 0 0 0 0 0 0 0 0 3.3360 -3.7777 0.2076 C 0 0 0 0 0 0 0 0 0 3.6399 -4.2060 -1.0873 C 0 0 0 0 0 0 0 0 0 4.0738 -2.7283 0.7677 C 0 0 0 0 0 0 0 0 0 4.6401 -3.5758 -1.8152 C 0 0 0 0 0 0 0 0 0 5.0629 -2.0877 0.0166 C 0 0 0 0 0 0 0 0 0 5.3681 -2.5320 -1.2694 C 0 0 0 0 0 0 0 0 0 5.8185 -0.9034 0.5875 C 0 0 0 0 0 0 0 0 0 6.2932 -1.0969 1.8289 C 0 0 0 0 0 0 0 0 0 7.1519 -0.2329 2.6931 C 0 0 0 0 0 0 0 0 0 6.4814 -1.8848 -2.0708 C 0 0 0 0 0 0 0 0 0 5.9360 0.3272 -0.2989 C 0 0 0 0 0 0 0 0 0 7.6689 0.9762 2.4444 C 0 0 0 0 0 0 0 0 0 6.1656 -0.4670 -2.5876 C 0 0 0 0 0 0 0 0 0 6.6145 1.4476 -0.0171 C 0 0 0 0 0 0 0 0 0 5.2199 0.2727 -1.6397 C 0 0 2 0 0 0 0 0 0 7.4393 1.7912 1.1889 C 0 0 0 0 0 0 0 0 0 8.4460 1.3996 3.4886 O 0 0 0 0 0 0 0 0 0 9.3474 2.4638 3.2435 C 0 0 0 0 0 0 0 0 0 3.9007 -2.2541 2.0437 O 0 0 0 0 0 0 0 0 0 2.6895 -2.4975 2.7301 C 0 0 0 0 0 0 0 0 0 4.5923 1.4296 -2.2371 N 0 0 0 0 0 0 0 0 0 3.4185 1.8647 -1.6999 C 0 0 0 0 0 0 0 0 0 3.1243 1.4564 -0.6068 O 0 0 0 0 0 0 0 0 0 2.4543 2.8089 -2.3603 C 0 0 0 0 0 0 0 0 0 2.3384 -4.3428 0.9644 O 0 0 0 0 0 0 0 0 0 1.7606 -5.5606 0.5360 C 0 0 0 0 0 0 0 0 0 2.9428 -5.2520 -1.6186 O 0 0 0 0 0 0 0 0 0 2.7918 -5.3986 -3.0117 C 0 0 0 0 0 0 0 0 0 4.8604 -3.8861 -2.7903 H 0 0 0 0 0 0 0 0 0 6.0371 -2.0082 2.2914 H 0 0 0 0 0 0 0 0 0 7.3877 -0.6365 3.6344 H 0 0 0 0 0 0 0 0 0 7.3454 -1.8234 -1.4214 H 0 0 0 0 0 0 0 0 0 6.7554 -2.5089 -2.9103 H 0 0 0 0 0 0 0 0 0 7.0922 0.0883 -2.6762 H 0 0 0 0 0 0 0 0 0 5.7139 -0.5229 -3.5680 H 0 0 0 0 0 0 0 0 0 6.5782 2.2123 -0.7342 H 0 0 0 0 0 0 0 0 0 9.9508 2.2641 2.3646 H 0 0 0 0 0 0 0 0 0 8.7992 3.3888 3.1141 H 0 0 0 0 0 0 0 0 0 10.0080 2.5760 4.0932 H 0 0 0 0 0 0 0 0 0 1.8462 -2.4092 2.0652 H 0 0 0 0 0 0 0 0 0 2.7052 -3.4754 3.1832 H 0 0 0 0 0 0 0 0 0 2.5834 -1.7583 3.5075 H 0 0 0 0 0 0 0 0 0 4.9829 1.8790 -3.0020 H 0 0 0 0 0 0 0 0 0 2.7410 3.8371 -2.1923 H 0 0 0 0 0 0 0 0 0 2.3691 2.6186 -3.4213 H 0 0 0 0 0 0 0 0 0 1.4845 2.6467 -1.9055 H 0 0 0 0 0 0 0 0 0 2.5282 -6.2683 0.2694 H 0 0 0 0 0 0 0 0 0 1.1848 -5.9866 1.3385 H 0 0 0 0 0 0 0 0 0 1.1084 -5.3961 -0.3074 H 0 0 0 0 0 0 0 0 0 2.1447 -6.2475 -3.1670 H 0 0 0 0 0 0 0 0 0 2.3251 -4.5282 -3.4453 H 0 0 0 0 0 0 0 0 0 3.7372 -5.5967 -3.4873 H 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 17 1 0 0 0 0 3 27 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 4 29 1 0 0 0 0 4 6 1 0 0 0 0 5 21 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 14 2 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 16 2 0 0 0 0 14 19 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 23 1 1 0 0 0 19 20 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > 757 > K $$$$ 1011 1016 111283D 1011 46 49 1 1 V2000 -0.0020 1.3114 0.2398 N 0 0 0 0 0 0 0 0 0 2.2446 7.0327 4.0519 C 0 0 0 0 0 0 0 0 0 3.1982 6.1169 3.6341 C 0 0 0 0 0 0 0 0 0 1.2859 7.4912 3.1616 C 0 0 0 0 0 0 0 0 0 1.2830 7.0387 1.8517 C 0 0 0 0 0 0 0 0 0 3.1964 5.6633 2.3251 C 0 0 0 0 0 0 0 0 0 1.0973 3.4260 0.1269 C 0 0 0 0 0 0 0 0 0 1.1314 2.0145 0.1213 C 0 0 0 0 0 0 0 0 0 2.3665 1.3525 -0.0179 C 0 0 0 0 0 0 0 0 0 3.4910 3.4611 -0.1311 C 0 0 0 0 0 0 0 0 0 3.5449 2.1005 -0.1424 C 0 0 0 0 0 0 0 0 0 2.3889 -0.0534 -0.0253 C 0 0 0 0 0 0 0 0 0 0.0089 -0.0163 0.2342 C 0 0 0 0 0 0 0 0 0 1.2069 -0.7258 0.1004 C 0 0 0 0 0 0 0 0 0 2.4836 5.4286 -2.7901 C 0 0 0 0 0 0 0 0 0 2.5450 5.3600 -4.1519 C 0 0 0 0 0 0 0 0 0 3.4842 6.0830 -2.0668 C 0 0 0 0 0 0 0 0 0 4.5580 6.6668 -2.7420 C 0 0 0 0 0 0 0 0 0 3.6216 5.9469 -4.8310 C 0 0 0 0 0 0 0 0 0 4.6293 6.6026 -4.1141 C 0 0 0 0 0 0 0 0 0 -0.0871 4.0913 0.2553 O 0 0 0 0 0 0 0 0 0 3.6926 5.8738 -6.3070 C 0 0 0 0 0 0 0 0 0 2.8102 5.2996 -6.9304 O 0 0 0 0 0 0 0 0 0 4.7335 6.4428 -6.9589 O 0 0 0 0 0 0 0 0 0 2.2632 4.1263 0.0062 C 0 0 0 0 0 0 0 0 0 2.2392 6.1252 1.4340 C 0 0 0 0 0 0 0 0 0 3.4109 6.1458 -0.6899 N 0 0 0 0 0 0 0 0 0 2.2387 5.6336 0.0108 C 0 0 1 0 0 0 0 0 0 2.2439 7.3798 5.0646 H 0 0 0 0 0 0 0 0 0 3.9386 5.7630 4.3210 H 0 0 0 0 0 0 0 0 0 0.5498 8.1981 3.4844 H 0 0 0 0 0 0 0 0 0 0.5445 7.3931 1.1629 H 0 0 0 0 0 0 0 0 0 3.9329 4.9574 2.0009 H 0 0 0 0 0 0 0 0 0 4.3895 4.0355 -0.2259 H 0 0 0 0 0 0 0 0 0 4.4925 1.6059 -0.2470 H 0 0 0 0 0 0 0 0 0 3.3152 -0.5907 -0.1285 H 0 0 0 0 0 0 0 0 0 -0.9109 -0.5424 0.3325 H 0 0 0 0 0 0 0 0 0 1.1861 -1.7963 0.0985 H 0 0 0 0 0 0 0 0 0 1.6570 4.9819 -2.2716 H 0 0 0 0 0 0 0 0 0 1.7745 4.8571 -4.7021 H 0 0 0 0 0 0 0 0 0 5.3273 7.1685 -2.1876 H 0 0 0 0 0 0 0 0 0 5.4520 7.0519 -4.6355 H 0 0 0 0 0 0 0 0 0 -0.4039 4.3158 1.1370 H 0 0 0 0 0 0 0 0 0 4.7627 6.3851 -7.9188 H 0 0 0 0 0 0 0 0 0 4.1446 6.5346 -0.1827 H 0 0 0 0 0 0 0 0 0 1.3348 5.9781 -0.4884 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 8 2 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 6 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 26 1 0 0 0 0 5 32 1 0 0 0 0 6 26 2 0 0 0 0 6 33 1 0 0 0 0 7 21 1 0 0 0 0 7 8 1 0 0 0 0 7 25 2 0 0 0 0 8 9 1 0 0 0 0 9 12 2 0 0 0 0 9 11 1 0 0 0 0 10 25 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 16 40 1 0 0 0 0 17 27 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 19 20 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 44 1 0 0 0 0 25 28 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 6 0 0 0 M END > 1011 > K $$$$ 1026 1016 111283D 1026 20 20 0 1 V2000 -0.0001 1.5172 0.0072 C 0 0 0 0 0 0 0 0 0 0.0273 -0.0134 0.0037 C 0 0 0 0 0 0 0 0 0 1.4598 1.9806 0.0218 C 0 0 0 0 0 0 0 0 0 2.1861 0.7816 0.6330 C 0 0 0 0 0 0 0 0 0 1.5008 -0.4095 -0.0268 C 0 0 0 0 0 0 0 0 0 1.9136 2.2373 -1.3439 N 0 0 0 0 0 0 0 0 0 1.6292 3.2050 0.8851 C 0 0 0 0 0 0 0 0 0 2.0508 4.2671 0.4062 O 0 0 0 0 0 0 0 0 0 1.3175 3.1527 2.2035 O 0 0 0 0 0 0 0 0 0 -0.5163 1.9080 -0.8582 H 0 0 0 0 0 0 0 0 0 -0.5127 1.8463 0.9010 H 0 0 0 0 0 0 0 0 0 -0.4214 -0.3754 0.9183 H 0 0 0 0 0 0 0 0 0 -0.5024 -0.4225 -0.8446 H 0 0 0 0 0 0 0 0 0 3.2485 0.8022 0.4367 H 0 0 0 0 0 0 0 0 0 2.0121 0.7433 1.7001 H 0 0 0 0 0 0 0 0 0 1.6841 -1.3315 0.5061 H 0 0 0 0 0 0 0 0 0 1.8363 -0.5112 -1.0488 H 0 0 0 0 0 0 0 0 0 2.8673 2.5393 -1.3745 H 0 0 0 0 0 0 0 0 0 1.7640 1.4736 -1.9719 H 0 0 0 0 0 0 0 0 0 1.4893 4.0151 2.5631 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 20 1 0 0 0 0 M END > 1026 > K $$$$ 1027 1016 111283D 1027 16 15 0 1 V2000 0.1784 2.7963 0.3416 C 0 0 0 0 0 0 0 0 0 -0.0128 2.3443 -1.1073 C 0 0 0 0 0 0 0 0 0 1.6387 2.6080 0.7583 C 0 0 0 0 0 0 0 0 0 -0.2448 4.7170 0.4710 Br 0 0 0 0 0 0 0 0 0 -0.7377 2.0033 1.2378 C 0 0 0 0 0 0 0 0 0 -0.2733 1.1664 1.9758 O 0 0 0 0 0 0 0 0 0 -2.2218 2.2302 1.2304 C 0 0 0 0 0 0 0 0 0 -3.1443 0.5516 0.7829 Br 0 0 0 0 0 0 0 0 0 -2.8101 2.8654 2.9976 Br 0 0 0 0 0 0 0 0 0 0.2311 1.2955 -1.2000 H 0 0 0 0 0 0 0 0 0 -1.0377 2.4947 -1.4144 H 0 0 0 0 0 0 0 0 0 0.6323 2.9159 -1.7591 H 0 0 0 0 0 0 0 0 0 2.2862 3.1835 0.1127 H 0 0 0 0 0 0 0 0 0 1.7770 2.9400 1.7775 H 0 0 0 0 0 0 0 0 0 1.9109 1.5640 0.6900 H 0 0 0 0 0 0 0 0 0 -2.4841 2.9749 0.4938 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 M END > 1027 > K $$$$ 1620 1016 111283D 1620 25 27 0 1 V2000 -1.5619 -1.6214 2.1529 N 0 0 0 0 0 0 0 0 0 -0.0445 -3.0508 3.2474 N 0 0 0 0 0 0 0 0 0 -4.7841 -0.8157 0.6983 O 0 0 0 0 0 0 0 0 0 1.9602 -3.5041 1.9339 N 0 0 0 0 0 0 0 0 0 2.4309 -4.0891 2.5492 H 0 0 0 0 0 0 0 0 0 2.4044 -3.1216 0.7109 N 0 0 0 0 0 0 0 0 0 0.7616 -2.9499 2.1722 C 0 0 0 0 0 0 0 0 0 0.4291 -2.1926 1.0726 C 0 0 0 0 0 0 0 0 0 -0.7737 -1.5060 1.0558 C 0 0 0 0 0 0 0 0 0 1.4674 -2.3105 0.1690 C 0 0 0 0 0 0 0 0 0 -1.2192 -2.3740 3.2300 C 0 0 0 0 0 0 0 0 0 -3.5932 -1.0442 0.0406 C 0 0 0 0 0 0 0 0 0 -3.5735 -2.2665 -0.6045 C 0 0 0 0 0 0 0 0 0 -4.7866 -2.8623 -0.3430 C 0 0 0 0 0 0 0 0 0 -5.4909 -1.9727 0.4457 C 0 0 0 0 0 0 0 0 0 -1.1780 -0.7424 0.0044 N 0 0 0 0 0 0 0 0 0 -2.4514 -0.0688 0.0323 C 0 0 0 0 0 0 0 0 0 1.5237 -1.8525 -0.7738 H 0 0 0 0 0 0 0 0 0 -1.8699 -2.4304 4.0532 H 0 0 0 0 0 0 0 0 0 -2.7879 -2.6607 -1.1783 H 0 0 0 0 0 0 0 0 0 -5.1111 -3.8037 -0.6757 H 0 0 0 0 0 0 0 0 0 -6.4583 -2.1568 0.8128 H 0 0 0 0 0 0 0 0 0 -0.6094 -0.6469 -0.7760 H 0 0 0 0 0 0 0 0 0 -2.5548 0.5641 -0.8375 H 0 0 0 0 0 0 0 0 0 -2.5272 0.5505 0.9151 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 2 7 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 16 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 17 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 M END > 1620 > K $$$$ 1771 1016 111283D 1771 24 23 0 1 V2000 0.6945 2.7638 -1.4032 N 0 0 0 0 0 0 0 0 0 1.2745 2.4413 -2.6838 C 0 0 0 0 0 0 0 0 0 1.4158 2.3585 -0.2222 C 0 0 0 0 0 0 0 0 0 -0.5009 3.4325 -1.3286 C 0 0 0 0 0 0 0 0 0 -1.2618 3.8616 -2.6245 S 0 0 0 0 0 0 0 0 0 -1.2439 3.8442 0.2465 S 0 0 0 0 0 0 0 0 0 -2.9889 4.8216 -0.1752 S 0 0 0 0 0 0 0 0 0 -3.7319 5.2333 1.3998 C 0 0 0 0 0 0 0 0 0 -2.9709 4.8042 2.6958 S 0 0 0 0 0 0 0 0 0 -4.9274 5.9019 1.4744 N 0 0 0 0 0 0 0 0 0 -5.6480 6.3084 0.2935 C 0 0 0 0 0 0 0 0 0 -5.5080 6.2232 2.7551 C 0 0 0 0 0 0 0 0 0 2.2140 1.9180 -2.5711 H 0 0 0 0 0 0 0 0 0 0.5989 1.8097 -3.2431 H 0 0 0 0 0 0 0 0 0 1.4559 3.3482 -3.2428 H 0 0 0 0 0 0 0 0 0 0.9188 2.6326 0.6957 H 0 0 0 0 0 0 0 0 0 1.5387 1.2849 -0.2306 H 0 0 0 0 0 0 0 0 0 2.3932 2.8196 -0.2263 H 0 0 0 0 0 0 0 0 0 -5.1516 6.0333 -0.6244 H 0 0 0 0 0 0 0 0 0 -6.6263 5.8492 0.2976 H 0 0 0 0 0 0 0 0 0 -5.7687 7.3823 0.3019 H 0 0 0 0 0 0 0 0 0 -5.6917 5.3155 3.3121 H 0 0 0 0 0 0 0 0 0 -4.8319 6.8523 3.3164 H 0 0 0 0 0 0 0 0 0 -6.4464 6.7484 2.6424 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > 1771 > K $$$$ 1906 1016 111283D 1906 20 20 0 1 V2000 0.2546 1.1692 0.2319 C 0 0 0 0 0 0 0 0 0 0.6447 -0.2860 -0.0277 C 0 0 0 0 0 0 0 0 0 1.2385 -0.4299 -1.4303 C 0 0 0 0 0 0 0 0 0 2.0068 1.9592 -1.2980 C 0 0 0 0 0 0 0 0 0 2.4258 0.5198 -1.6009 C 0 0 0 0 0 0 0 0 0 1.4111 2.0103 0.0173 N 0 0 0 0 0 0 0 0 0 1.9224 2.8159 1.0018 C 0 0 0 0 0 0 0 0 0 1.3289 2.8486 2.4467 S 0 0 0 0 0 0 0 0 0 3.3136 3.8903 0.6936 S 0 0 0 0 0 0 0 0 0 -0.5265 1.4577 -0.4583 H 0 0 0 0 0 0 0 0 0 -0.1467 1.2420 1.2317 H 0 0 0 0 0 0 0 0 0 1.3801 -0.5870 0.7047 H 0 0 0 0 0 0 0 0 0 -0.2250 -0.9198 0.0673 H 0 0 0 0 0 0 0 0 0 1.5665 -1.4482 -1.5821 H 0 0 0 0 0 0 0 0 0 0.4818 -0.1944 -2.1654 H 0 0 0 0 0 0 0 0 0 2.8766 2.5911 -1.3960 H 0 0 0 0 0 0 0 0 0 1.2791 2.2813 -2.0298 H 0 0 0 0 0 0 0 0 0 3.2108 0.2348 -0.9149 H 0 0 0 0 0 0 0 0 0 2.8022 0.4539 -2.6116 H 0 0 0 0 0 0 0 0 0 3.5213 4.4988 1.8744 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 20 1 0 0 0 0 M END > 1906 > K $$$$ 2186 1016 111283D 2186 62 65 0 1 V2000 0.6724 6.7779 -2.1950 C 0 0 0 0 0 0 0 0 0 2.5711 8.3084 -1.2010 C 0 0 0 0 0 0 0 0 0 1.9433 7.1039 -1.5157 C 0 0 0 0 0 0 0 0 0 3.7876 8.2962 -0.5495 C 0 0 0 0 0 0 0 0 0 1.6207 4.8067 -1.6346 C 0 0 0 0 0 0 0 0 0 2.5550 5.8959 -1.1624 C 0 0 0 0 0 0 0 0 0 4.3854 7.0958 -0.2072 C 0 0 0 0 0 0 0 0 0 3.7666 5.8951 -0.5153 C 0 0 0 0 0 0 0 0 0 2.8718 4.3145 -5.1618 C 0 0 0 0 0 0 0 0 0 2.3669 4.9084 -4.0210 C 0 0 0 0 0 0 0 0 0 2.1117 3.8819 0.6386 C 0 0 0 0 0 0 0 0 0 3.1827 2.9627 -5.1591 C 0 0 0 0 0 0 0 0 0 2.1715 4.1565 -2.8775 C 0 0 0 0 0 0 0 0 0 1.4152 3.7792 -0.5516 C 0 0 0 0 0 0 0 0 0 1.9246 2.9416 1.6329 C 0 0 0 0 0 0 0 0 0 2.9861 2.2103 -4.0099 C 0 0 0 0 0 0 0 0 0 2.4811 2.8087 -2.8721 C 0 0 0 0 0 0 0 0 0 0.5304 2.7356 -0.7496 C 0 0 0 0 0 0 0 0 0 1.0371 1.8932 1.4367 C 0 0 0 0 0 0 0 0 0 0.3397 1.7924 0.2419 C 0 0 0 0 0 0 0 0 0 0.0171 7.5389 -2.8783 O 0 0 0 0 0 0 0 0 0 0.3651 5.4878 -1.9324 O 0 0 0 0 0 0 0 0 0 0.8511 0.9671 2.4137 O 0 0 0 0 0 0 0 0 0 -0.2274 2.6269 -2.0477 C 0 0 0 0 0 0 0 0 0 2.0294 6.3770 -4.0231 C 0 0 0 0 0 0 0 0 0 3.3233 0.7415 -4.0033 C 0 0 0 0 0 0 0 0 0 4.4260 0.4761 -2.9764 C 0 0 0 0 0 0 0 0 0 2.0774 -0.0661 -3.6340 C 0 0 0 0 0 0 0 0 0 3.6790 2.3761 -6.2800 O 0 0 0 0 0 0 0 0 0 2.6842 3.0540 2.9296 C 0 0 0 0 0 0 0 0 0 4.1866 2.9847 2.6483 C 0 0 0 0 0 0 0 0 0 2.3522 4.3880 3.6013 C 0 0 0 0 0 0 0 0 0 2.1078 9.2471 -1.4668 H 0 0 0 0 0 0 0 0 0 4.2757 9.2282 -0.3053 H 0 0 0 0 0 0 0 0 0 5.3382 7.0950 0.3014 H 0 0 0 0 0 0 0 0 0 4.2359 4.9602 -0.2468 H 0 0 0 0 0 0 0 0 0 3.0202 4.9014 -6.0562 H 0 0 0 0 0 0 0 0 0 2.8056 4.6956 0.7891 H 0 0 0 0 0 0 0 0 0 2.3282 2.2237 -1.9772 H 0 0 0 0 0 0 0 0 0 -0.3519 0.9776 0.0870 H 0 0 0 0 0 0 0 0 0 0.1660 1.1012 3.0830 H 0 0 0 0 0 0 0 0 0 0.3899 2.1164 -2.7870 H 0 0 0 0 0 0 0 0 0 -1.1447 2.0605 -1.8867 H 0 0 0 0 0 0 0 0 0 -0.4753 3.6252 -2.4084 H 0 0 0 0 0 0 0 0 0 1.0076 6.5145 -4.3769 H 0 0 0 0 0 0 0 0 0 2.1198 6.7721 -3.0113 H 0 0 0 0 0 0 0 0 0 2.7167 6.9069 -4.6827 H 0 0 0 0 0 0 0 0 0 3.6692 0.4438 -4.9931 H 0 0 0 0 0 0 0 0 0 4.6699 -0.5863 -2.9716 H 0 0 0 0 0 0 0 0 0 5.3136 1.0514 -3.2394 H 0 0 0 0 0 0 0 0 0 4.0801 0.7738 -1.9866 H 0 0 0 0 0 0 0 0 0 2.3213 -1.1284 -3.6292 H 0 0 0 0 0 0 0 0 0 1.7315 0.2318 -2.6442 H 0 0 0 0 0 0 0 0 0 1.2918 0.1231 -4.3656 H 0 0 0 0 0 0 0 0 0 4.6341 2.3471 -6.4280 H 0 0 0 0 0 0 0 0 0 2.4000 2.2343 3.5895 H 0 0 0 0 0 0 0 0 0 4.4709 3.8043 1.9885 H 0 0 0 0 0 0 0 0 0 4.7360 3.0659 3.5862 H 0 0 0 0 0 0 0 0 0 4.4231 2.0342 2.1698 H 0 0 0 0 0 0 0 0 0 2.9017 4.4692 4.5392 H 0 0 0 0 0 0 0 0 0 2.6365 5.2077 2.9414 H 0 0 0 0 0 0 0 0 0 1.2819 4.4374 3.8018 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 21 2 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 33 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 34 1 0 0 0 0 5 22 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 12 2 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 25 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 12 29 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 30 1 0 0 0 0 15 19 2 0 0 0 0 16 26 1 0 0 0 0 16 17 2 0 0 0 0 17 39 1 0 0 0 0 18 24 1 0 0 0 0 18 20 2 0 0 0 0 19 23 1 0 0 0 0 19 20 1 0 0 0 0 20 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > 2186 > K $$$$ 2979 1016 111283D 2979 56 58 1 1 V2000 -0.0710 1.5776 -0.1207 C 0 0 0 0 0 0 0 0 0 -0.3169 0.0651 -0.2100 C 0 0 1 0 0 0 0 0 0 1.4196 1.9157 -0.1786 C 0 0 0 0 0 0 0 0 0 0.4292 -0.5747 0.9861 C 0 0 1 0 0 0 0 0 0 2.1944 1.2839 0.9918 C 0 0 1 0 0 0 0 0 0 3.7503 3.2537 1.2295 C 0 0 0 0 0 0 0 0 0 1.9398 -0.2411 1.0682 C 0 0 1 0 0 0 0 0 0 3.6876 1.7189 1.0778 C 0 0 1 0 0 0 0 0 0 5.1434 3.7957 1.5588 C 0 0 0 0 0 0 0 0 0 2.6435 -0.8233 2.3112 C 0 0 1 0 0 0 0 0 0 4.2929 1.0976 2.3635 C 0 0 1 0 0 0 0 0 0 5.6907 3.1344 2.8219 C 0 0 0 0 0 0 0 0 0 4.1250 -0.4332 2.3568 C 0 0 0 0 0 0 0 0 0 5.7077 1.5967 2.7494 C 0 0 1 0 0 0 0 0 0 2.6926 -1.1581 -0.2939 Cl 0 0 0 0 0 0 0 0 0 1.9754 -0.3129 3.9094 Cl 0 0 0 0 0 0 0 0 0 -0.4558 -0.0621 2.4769 Cl 0 0 0 0 0 0 0 0 0 -2.0912 -0.1769 0.0391 Cl 0 0 0 0 0 0 0 0 0 6.1166 1.1164 4.1503 C 0 0 0 0 0 0 0 0 0 6.7922 1.0985 1.8291 C 0 0 0 0 0 0 0 0 0 7.6253 1.8793 1.3493 O 0 0 0 0 0 0 0 0 0 6.8710 -0.2177 1.5177 O 0 0 0 0 0 0 0 0 0 4.4790 1.3564 -0.1961 C 0 0 0 0 0 0 0 0 0 -0.0041 -0.5065 -1.6163 C 0 0 0 0 0 0 0 0 0 -0.2398 -2.0192 -1.7098 C 0 0 0 0 0 0 0 0 0 -0.8035 0.1531 -2.7487 C 0 0 0 0 0 0 0 0 0 -0.5907 2.0960 -0.9116 H 0 0 0 0 0 0 0 0 0 -0.4695 1.9526 0.8115 H 0 0 0 0 0 0 0 0 0 1.8243 1.5880 -1.1237 H 0 0 0 0 0 0 0 0 0 1.4926 2.9913 -0.1313 H 0 0 0 0 0 0 0 0 0 0.3181 -1.6474 0.9393 H 0 0 0 0 0 0 0 0 0 1.7257 1.6853 1.8807 H 0 0 0 0 0 0 0 0 0 3.4282 3.7347 0.3175 H 0 0 0 0 0 0 0 0 0 3.0826 3.5592 2.0234 H 0 0 0 0 0 0 0 0 0 5.8224 3.6331 0.7357 H 0 0 0 0 0 0 0 0 0 5.0736 4.8617 1.7218 H 0 0 0 0 0 0 0 0 0 2.5738 -1.9012 2.2722 H 0 0 0 0 0 0 0 0 0 3.6735 1.4548 3.1749 H 0 0 0 0 0 0 0 0 0 6.6882 3.5089 3.0061 H 0 0 0 0 0 0 0 0 0 5.0612 3.4421 3.6455 H 0 0 0 0 0 0 0 0 0 4.5389 -0.8616 3.2565 H 0 0 0 0 0 0 0 0 0 4.6463 -0.8696 1.5187 H 0 0 0 0 0 0 0 0 0 7.0578 1.5655 4.4363 H 0 0 0 0 0 0 0 0 0 5.3673 1.3953 4.8774 H 0 0 0 0 0 0 0 0 0 6.2419 0.0440 4.1725 H 0 0 0 0 0 0 0 0 0 7.5973 -0.3181 0.9134 H 0 0 0 0 0 0 0 0 0 3.9746 1.7239 -1.0764 H 0 0 0 0 0 0 0 0 0 5.4629 1.7947 -0.1938 H 0 0 0 0 0 0 0 0 0 4.6233 0.2950 -0.2975 H 0 0 0 0 0 0 0 0 0 1.0292 -0.3225 -1.8619 H 0 0 0 0 0 0 0 0 0 0.3976 -2.5522 -1.0213 H 0 0 0 0 0 0 0 0 0 -1.2712 -2.2551 -1.4917 H 0 0 0 0 0 0 0 0 0 -0.0100 -2.3647 -2.7076 H 0 0 0 0 0 0 0 0 0 -0.5482 1.1980 -2.8378 H 0 0 0 0 0 0 0 0 0 -0.5645 -0.3210 -3.6900 H 0 0 0 0 0 0 0 0 0 -1.8656 0.0590 -2.5761 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 18 1 0 0 0 0 2 4 1 1 0 0 0 2 24 1 6 0 0 0 3 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 17 1 1 0 0 0 4 7 1 0 0 0 0 4 31 1 6 0 0 0 5 7 1 6 0 0 0 5 8 1 0 0 0 0 5 32 1 1 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 15 1 6 0 0 0 7 10 1 1 0 0 0 8 11 1 1 0 0 0 8 23 1 6 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 16 1 1 0 0 0 10 13 1 0 0 0 0 10 37 1 6 0 0 0 11 14 1 0 0 0 0 11 13 1 6 0 0 0 11 38 1 1 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 20 1 6 0 0 0 14 19 1 1 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 M END > 2979 > K $$$$ 3852 1016 111283D 3852 19 20 0 1 V2000 0.0273 1.3649 -0.1253 N 0 0 0 0 0 0 0 0 0 1.1120 3.4848 -0.0606 C 0 0 0 0 0 0 0 0 0 1.1700 2.0931 -0.0688 C 0 0 0 0 0 0 0 0 0 2.2894 4.2178 -0.0120 C 0 0 0 0 0 0 0 0 0 2.4009 1.4407 -0.0194 C 0 0 0 0 0 0 0 0 0 3.5174 3.5714 0.0283 C 0 0 0 0 0 0 0 0 0 2.4221 0.0500 -0.0148 C 0 0 0 0 0 0 0 0 0 0.0305 0.0123 -0.1317 C 0 0 0 0 0 0 0 0 0 1.2368 -0.6699 -0.0709 C 0 0 0 0 0 0 0 0 0 3.5770 2.1832 0.0242 C 0 0 0 0 0 0 0 0 0 -0.0556 4.1815 -0.0981 O 0 0 0 0 0 0 0 0 0 4.7840 1.5604 0.0626 N 0 0 0 0 0 0 0 0 0 5.8525 2.2101 0.0514 O 0 0 0 0 0 0 0 0 0 2.2444 5.2670 -0.0060 H 0 0 0 0 0 0 0 0 0 4.4038 4.1344 0.0624 H 0 0 0 0 0 0 0 0 0 3.3357 -0.4676 0.0311 H 0 0 0 0 0 0 0 0 0 -0.8761 -0.5166 -0.1821 H 0 0 0 0 0 0 0 0 0 1.2523 -1.7201 -0.0676 H 0 0 0 0 0 0 0 0 0 -0.7975 3.5847 -0.1064 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 M END > 3852 > K $$$$ 3905 1016 111283D 3905 29 31 0 1 V2000 0.0248 1.3946 0.0091 N 0 0 0 0 0 0 0 0 0 -1.2840 -2.0675 0.0028 N 0 0 0 0 0 0 0 0 0 -3.4641 -5.0586 0.0072 N 0 0 0 0 0 0 0 0 0 -3.4304 -6.4119 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2092 -7.0712 -0.0146 C 0 0 0 0 0 0 0 0 0 -1.0377 -6.3271 -0.0214 C 0 0 0 0 0 0 0 0 0 -1.0979 -4.9402 -0.0138 C 0 0 0 0 0 0 0 0 0 -2.3348 -4.3071 0.0008 C 0 0 0 0 0 0 0 0 0 -2.4206 -2.8051 0.0094 C 0 0 0 0 0 0 0 0 0 -3.6488 -2.1563 0.0240 C 0 0 0 0 0 0 0 0 0 -3.6869 -0.7684 0.0317 C 0 0 0 0 0 0 0 0 0 -2.5048 -0.0403 0.0246 C 0 0 0 0 0 0 0 0 0 -1.2893 -0.7126 0.0100 C 0 0 0 0 0 0 0 0 0 0.0144 0.0382 0.0018 C 0 0 0 0 0 0 0 0 0 1.2215 -0.6501 -0.0131 C 0 0 0 0 0 0 0 0 0 2.4150 0.0590 -0.0204 C 0 0 0 0 0 0 0 0 0 2.3960 1.4468 -0.0128 C 0 0 0 0 0 0 0 0 0 1.1756 2.1075 0.0022 C 0 0 0 0 0 0 0 0 0 -4.3269 -6.9592 0.0054 H 0 0 0 0 0 0 0 0 0 -2.1724 -8.1208 -0.0203 H 0 0 0 0 0 0 0 0 0 -0.1061 -6.8126 -0.0325 H 0 0 0 0 0 0 0 0 0 -0.2123 -4.3756 -0.0190 H 0 0 0 0 0 0 0 0 0 -4.5419 -2.7090 0.0292 H 0 0 0 0 0 0 0 0 0 -4.6110 -0.2688 0.0427 H 0 0 0 0 0 0 0 0 0 -2.5314 1.0097 0.0304 H 0 0 0 0 0 0 0 0 0 1.2341 -1.7002 -0.0189 H 0 0 0 0 0 0 0 0 0 3.3314 -0.4546 -0.0318 H 0 0 0 0 0 0 0 0 0 3.2944 1.9907 -0.0183 H 0 0 0 0 0 0 0 0 0 1.1426 3.1574 0.0081 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 2 0 0 0 0 2 9 1 0 0 0 0 2 13 2 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > 3905 > K $$$$ 3970 1016 111283D 3970 12 12 0 1 V2000 -0.0684 1.3285 0.0114 C 0 0 0 0 0 0 0 0 0 1.2323 2.0686 0.0020 C 0 0 0 0 0 0 0 0 0 -0.0197 -0.0095 0.0032 C 0 0 0 0 0 0 0 0 0 2.3670 0.0209 -0.0203 C 0 0 0 0 0 0 0 0 0 1.2172 -1.6189 -0.0184 H 0 0 0 0 0 0 0 0 0 1.1855 -0.6501 -0.0125 N 0 0 0 0 0 0 0 0 0 3.4027 -0.5958 -0.0334 O 0 0 0 0 0 0 0 0 0 2.3917 1.3723 -0.0134 N 0 0 0 0 0 0 0 0 0 1.2556 3.2747 0.0076 O 0 0 0 0 0 0 0 0 0 3.2388 1.8387 -0.0194 H 0 0 0 0 0 0 0 0 0 -0.9808 1.8458 0.0243 H 0 0 0 0 0 0 0 0 0 -0.9136 -0.5640 0.0087 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 9 2 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 4 8 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 8 10 1 0 0 0 0 M END > 3970 > K $$$$ 4114 1016 111283D 4114 18 18 0 1 V2000 0.1916 1.6390 0.0414 O 0 0 0 0 0 0 0 0 0 1.8648 0.1079 -1.5777 N 0 0 0 0 0 0 0 0 0 0.6784 -0.4890 -1.0050 C 0 0 0 0 0 0 0 0 0 0.3166 0.2491 0.2851 C 0 0 0 0 0 0 0 0 0 1.8261 1.5420 -1.7510 C 0 0 0 0 0 0 0 0 0 1.3992 2.2037 -0.4386 C 0 0 0 0 0 0 0 0 0 2.9602 -0.6307 -1.9396 C 0 0 0 0 0 0 0 0 0 3.0309 -2.1759 -1.7210 S 0 0 0 0 0 0 0 0 0 4.3859 0.1392 -2.6875 S 0 0 0 0 0 0 0 0 0 -0.1401 -0.3773 -1.7022 H 0 0 0 0 0 0 0 0 0 0.7925 -1.5382 -0.7771 H 0 0 0 0 0 0 0 0 0 1.0822 0.0675 1.0268 H 0 0 0 0 0 0 0 0 0 -0.6225 -0.1297 0.6615 H 0 0 0 0 0 0 0 0 0 2.7752 1.9618 -2.0482 H 0 0 0 0 0 0 0 0 0 1.0939 1.7818 -2.5085 H 0 0 0 0 0 0 0 0 0 1.2505 3.2605 -0.6060 H 0 0 0 0 0 0 0 0 0 2.1848 2.0799 0.2940 H 0 0 0 0 0 0 0 0 0 5.2518 -0.8742 -2.8638 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 18 1 0 0 0 0 M END > 4114 > K $$$$ 4170 1016 111283D 4170 21 22 0 1 V2000 -0.0144 1.2107 0.0087 C 0 0 0 0 0 0 0 0 0 -2.5002 1.2891 -0.2380 C 0 0 0 0 0 0 0 0 0 1.2498 1.9744 0.0007 C 0 0 0 0 0 0 0 0 0 -1.3011 1.9410 0.0187 C 0 0 0 0 0 0 0 0 0 -3.6882 2.0042 -0.2213 C 0 0 0 0 0 0 0 0 0 1.2523 3.2900 0.2630 C 0 0 0 0 0 0 0 0 0 -1.2998 3.3210 0.2938 C 0 0 0 0 0 0 0 0 0 -3.6869 3.3592 0.0488 C 0 0 0 0 0 0 0 0 0 -0.0093 3.9970 0.5634 C 0 0 0 0 0 0 0 0 0 -2.4975 4.0237 0.3072 C 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0.0114 5.1213 1.0231 O 0 0 0 0 0 0 0 0 0 2.5469 1.2703 -0.3039 C 0 0 0 0 0 0 0 0 0 -2.5073 0.2301 -0.4499 H 0 0 0 0 0 0 0 0 0 -4.6212 1.4983 -0.4213 H 0 0 0 0 0 0 0 0 0 2.1838 3.8365 0.2541 H 0 0 0 0 0 0 0 0 0 -4.6189 3.9048 0.0586 H 0 0 0 0 0 0 0 0 0 -2.5027 5.0829 0.5183 H 0 0 0 0 0 0 0 0 0 3.3673 1.9870 -0.2650 H 0 0 0 0 0 0 0 0 0 2.7156 0.4847 0.4326 H 0 0 0 0 0 0 0 0 0 2.4961 0.8299 -1.2997 H 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 3 6 2 0 0 0 0 3 13 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 10 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END > 4170 > K $$$$ 4280 1016 111283D 4280 28 30 0 1 V2000 0.0084 1.3399 -0.0031 N 0 0 0 0 0 0 0 0 0 -0.0354 4.1261 0.0396 N 0 0 0 0 0 0 0 0 0 -0.0931 5.4780 0.0331 C 0 0 0 0 0 0 0 0 0 1.0841 6.2140 0.0293 C 0 0 0 0 0 0 0 0 0 2.3016 5.5484 0.0167 C 0 0 0 0 0 0 0 0 0 2.3368 4.1596 0.0073 C 0 0 0 0 0 0 0 0 0 1.1391 3.4472 0.0154 C 0 0 0 0 0 0 0 0 0 1.1611 2.0558 -0.0010 C 0 0 0 0 0 0 0 0 0 3.5507 3.4837 -0.0104 C 0 0 0 0 0 0 0 0 0 2.3807 1.3818 -0.0158 C 0 0 0 0 0 0 0 0 0 3.5726 2.0959 -0.0210 C 0 0 0 0 0 0 0 0 0 2.3895 -0.0074 -0.0249 C 0 0 0 0 0 0 0 0 0 1.1937 -0.7113 -0.0147 C 0 0 0 0 0 0 0 0 0 -0.0061 -0.0132 0.0039 C 0 0 0 0 0 0 0 0 0 -1.3180 -0.7380 0.0305 C 0 0 0 0 0 0 0 0 0 -1.4276 6.1608 0.0314 C 0 0 0 0 0 0 0 0 0 1.0565 7.2638 0.0349 H 0 0 0 0 0 0 0 0 0 3.1953 6.1007 0.0138 H 0 0 0 0 0 0 0 0 0 4.4552 4.0182 -0.0156 H 0 0 0 0 0 0 0 0 0 4.4936 1.5905 -0.0331 H 0 0 0 0 0 0 0 0 0 3.3001 -0.5311 -0.0390 H 0 0 0 0 0 0 0 0 0 1.1994 -1.7615 -0.0200 H 0 0 0 0 0 0 0 0 0 -1.6455 -0.9150 -0.9832 H 0 0 0 0 0 0 0 0 0 -1.2167 -1.6824 0.5447 H 0 0 0 0 0 0 0 0 0 -2.0525 -0.1332 0.5412 H 0 0 0 0 0 0 0 0 0 -1.7418 6.3269 1.0512 H 0 0 0 0 0 0 0 0 0 -1.3658 7.1082 -0.4837 H 0 0 0 0 0 0 0 0 0 -2.1517 5.5333 -0.4663 H 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END > 4280 > K $$$$ 4320 1016 111283D 4320 104110 1 1 V2000 -6.7275 -1.4887 11.3643 O 0 0 0 0 0 0 0 0 0 -5.6287 -2.1268 9.4996 O 0 0 0 0 0 0 0 0 0 -3.6608 -4.3653 9.1784 O 0 0 0 0 0 0 0 0 0 -2.5725 -4.4907 7.1551 O 0 0 0 0 0 0 0 0 0 -0.8187 -7.5973 3.6503 O 0 0 0 0 0 0 0 0 0 1.5520 -15.7137 2.6401 O 0 0 0 0 0 0 0 0 0 2.8558 -15.4113 0.8075 O 0 0 0 0 0 0 0 0 0 2.4898 -15.0614 1.9030 C 0 0 0 0 0 0 0 0 0 3.0096 -13.8668 2.6066 C 0 0 0 0 0 0 0 0 0 2.3712 -13.8251 3.7737 C 0 0 0 0 0 0 0 0 0 1.4181 -14.9844 3.8542 C 0 0 0 0 0 0 0 0 0 2.5415 -12.8005 4.8631 C 0 0 1 0 0 0 0 0 0 3.9629 -12.2876 5.1286 C 0 0 0 0 0 0 0 0 0 1.7315 -11.5139 4.6621 C 0 0 1 0 0 0 0 0 0 0.2227 -11.6917 4.8703 C 0 0 0 0 0 0 0 0 0 -0.4751 -10.3310 4.9400 C 0 0 0 0 0 0 0 0 0 3.7857 -10.8708 5.6897 C 0 0 0 0 0 0 0 0 0 2.2722 -10.7195 5.8599 C 0 0 1 0 0 0 0 0 0 0.1350 -9.3870 5.9961 C 0 0 1 0 0 0 0 0 0 1.6770 -9.3031 5.9074 C 0 0 1 0 0 0 0 0 0 -0.4873 -7.9717 5.9622 C 0 0 1 0 0 0 0 0 0 -2.0189 -8.0267 6.1209 C 0 0 0 0 0 0 0 0 0 -2.6530 -6.6346 6.1881 C 0 0 0 0 0 0 0 0 0 2.2191 -8.4820 7.0849 C 0 0 0 0 0 0 0 0 0 0.0703 -7.1606 7.1556 C 0 0 1 0 0 0 0 0 0 -2.0719 -5.8011 7.3283 C 0 0 1 0 0 0 0 0 0 1.6044 -7.0818 7.1232 C 0 0 0 0 0 0 0 0 0 -0.5451 -5.7549 7.2253 C 0 0 0 0 0 0 0 0 0 -3.9507 -3.6482 10.3674 C 0 0 1 0 0 0 0 0 0 -4.3570 -2.1888 10.1239 C 0 0 1 0 0 0 0 0 0 -3.3182 -1.5104 9.2249 C 0 0 1 0 0 0 0 0 0 -2.6985 -3.7464 8.3464 C 0 0 1 0 0 0 0 0 0 -3.1561 -2.3426 7.9545 C 0 0 0 0 0 0 0 0 0 -7.6125 -0.6161 12.0484 C 0 0 1 0 0 0 0 0 0 -8.9198 -0.3548 11.2888 C 0 0 1 0 0 0 0 0 0 -8.5761 0.1299 9.8756 C 0 0 1 0 0 0 0 0 0 -6.4422 -1.1030 10.0313 C 0 0 1 0 0 0 0 0 0 -7.7061 -0.9235 9.1782 C 0 0 1 0 0 0 0 0 0 -8.6529 -0.2682 14.1746 O 0 0 0 0 0 0 0 0 0 -7.9410 -1.2195 13.4101 C 0 0 0 0 0 0 0 0 0 -9.7166 -1.5229 11.2872 O 0 0 0 0 0 0 0 0 0 -9.7735 0.4379 9.1882 O 0 0 0 0 0 0 0 0 0 -8.4437 -2.1118 8.9688 O 0 0 0 0 0 0 0 0 0 -5.0827 -4.3660 11.0968 C 0 0 0 0 0 0 0 0 0 -3.7387 -0.2018 8.8769 O 0 0 0 0 0 0 0 0 0 -3.2639 0.8139 9.7383 C 0 0 0 0 0 0 0 0 0 -0.1454 -7.3573 4.6240 C 0 0 0 0 0 0 0 0 0 -0.2983 -7.8535 8.3305 O 0 0 0 0 0 0 0 0 0 2.0035 -10.8904 3.2753 C 0 0 0 0 0 0 0 0 0 1.8837 -11.4125 7.0299 O 0 0 0 0 0 0 0 0 0 3.7339 -13.1987 2.2475 H 0 0 0 0 0 0 0 0 0 0.4031 -14.6308 3.9659 H 0 0 0 0 0 0 0 0 0 1.6746 -15.6159 4.6934 H 0 0 0 0 0 0 0 0 0 2.2042 -13.2702 5.7779 H 0 0 0 0 0 0 0 0 0 4.4654 -12.9323 5.8355 H 0 0 0 0 0 0 0 0 0 4.5428 -12.2348 4.2187 H 0 0 0 0 0 0 0 0 0 -0.2000 -12.2687 4.0605 H 0 0 0 0 0 0 0 0 0 0.0405 -12.2185 5.7966 H 0 0 0 0 0 0 0 0 0 -0.4362 -9.8750 3.9627 H 0 0 0 0 0 0 0 0 0 -1.5133 -10.5125 5.1759 H 0 0 0 0 0 0 0 0 0 4.3049 -10.7433 6.6281 H 0 0 0 0 0 0 0 0 0 4.1522 -10.1463 4.9765 H 0 0 0 0 0 0 0 0 0 -0.1005 -9.8298 6.9548 H 0 0 0 0 0 0 0 0 0 1.9649 -8.7932 5.0002 H 0 0 0 0 0 0 0 0 0 -2.4638 -8.5463 5.2847 H 0 0 0 0 0 0 0 0 0 -2.2653 -8.5650 7.0256 H 0 0 0 0 0 0 0 0 0 -2.4847 -6.1169 5.2549 H 0 0 0 0 0 0 0 0 0 -3.7191 -6.7302 6.3353 H 0 0 0 0 0 0 0 0 0 1.9800 -8.9763 8.0153 H 0 0 0 0 0 0 0 0 0 3.2931 -8.3925 7.0056 H 0 0 0 0 0 0 0 0 0 -2.3760 -6.2426 8.2696 H 0 0 0 0 0 0 0 0 0 1.9557 -6.5774 8.0120 H 0 0 0 0 0 0 0 0 0 1.9391 -6.5179 6.2654 H 0 0 0 0 0 0 0 0 0 -0.1591 -5.2370 8.0905 H 0 0 0 0 0 0 0 0 0 -0.2770 -5.1930 6.3428 H 0 0 0 0 0 0 0 0 0 -3.0772 -3.6644 11.0039 H 0 0 0 0 0 0 0 0 0 -4.3620 -1.6918 11.0849 H 0 0 0 0 0 0 0 0 0 -2.3649 -1.4876 9.7361 H 0 0 0 0 0 0 0 0 0 -1.7417 -3.6859 8.8484 H 0 0 0 0 0 0 0 0 0 -4.1012 -2.4041 7.4345 H 0 0 0 0 0 0 0 0 0 -2.4214 -1.8884 7.3065 H 0 0 0 0 0 0 0 0 0 -7.1121 0.3253 12.2247 H 0 0 0 0 0 0 0 0 0 -9.4703 0.4258 11.7960 H 0 0 0 0 0 0 0 0 0 -8.0059 1.0448 9.9613 H 0 0 0 0 0 0 0 0 0 -5.8982 -0.1672 10.0209 H 0 0 0 0 0 0 0 0 0 -7.4005 -0.5458 8.2132 H 0 0 0 0 0 0 0 0 0 -8.9689 -0.6896 14.9685 H 0 0 0 0 0 0 0 0 0 -8.5203 -2.1222 13.2674 H 0 0 0 0 0 0 0 0 0 -7.0170 -1.4736 13.9097 H 0 0 0 0 0 0 0 0 0 -10.4043 -1.4255 10.6336 H 0 0 0 0 0 0 0 0 0 -9.5873 0.5956 8.2682 H 0 0 0 0 0 0 0 0 0 -7.8354 -2.8115 8.7460 H 0 0 0 0 0 0 0 0 0 -4.7824 -5.3771 11.3273 H 0 0 0 0 0 0 0 0 0 -5.3223 -3.8466 12.0135 H 0 0 0 0 0 0 0 0 0 -5.9597 -4.3920 10.4664 H 0 0 0 0 0 0 0 0 0 -3.5011 0.5940 10.7695 H 0 0 0 0 0 0 0 0 0 -2.1941 0.9260 9.6289 H 0 0 0 0 0 0 0 0 0 -3.7366 1.7457 9.4627 H 0 0 0 0 0 0 0 0 0 0.6823 -6.7214 4.5207 H 0 0 0 0 0 0 0 0 0 0.0295 -7.4095 9.1063 H 0 0 0 0 0 0 0 0 0 1.5729 -11.5143 2.5057 H 0 0 0 0 0 0 0 0 0 1.5658 -9.9087 3.1859 H 0 0 0 0 0 0 0 0 0 3.0616 -10.7982 3.0827 H 0 0 0 0 0 0 0 0 0 2.3515 -11.0849 7.7897 H 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 37 1 0 0 0 0 2 30 1 0 0 0 0 2 37 1 0 0 0 0 3 29 1 0 0 0 0 3 32 1 0 0 0 0 4 26 1 0 0 0 0 4 32 1 0 0 0 0 5 47 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 14 1 1 0 0 0 12 13 1 0 0 0 0 12 54 1 6 0 0 0 13 17 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 18 1 6 0 0 0 14 15 1 0 0 0 0 14 49 1 1 0 0 0 15 16 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 19 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 18 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 50 1 6 0 0 0 18 20 1 1 0 0 0 19 21 1 1 0 0 0 19 20 1 0 0 0 0 19 63 1 6 0 0 0 20 24 1 6 0 0 0 20 64 1 1 0 0 0 21 47 1 1 0 0 0 21 25 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 26 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 27 1 0 0 0 0 24 69 1 0 0 0 0 24 70 1 0 0 0 0 25 48 1 6 0 0 0 25 28 1 1 0 0 0 25 27 1 0 0 0 0 26 28 1 1 0 0 0 26 71 1 6 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 30 1 1 0 0 0 29 44 1 0 0 0 0 29 76 1 6 0 0 0 30 31 1 0 0 0 0 30 77 1 6 0 0 0 31 45 1 0 0 0 0 31 33 1 1 0 0 0 31 78 1 6 0 0 0 32 33 1 1 0 0 0 32 79 1 6 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 34 35 1 1 0 0 0 34 40 1 6 0 0 0 34 82 1 0 0 0 0 35 41 1 0 0 0 0 35 36 1 1 0 0 0 35 83 1 6 0 0 0 36 42 1 1 0 0 0 36 38 1 0 0 0 0 36 84 1 6 0 0 0 37 38 1 1 0 0 0 37 85 1 6 0 0 0 38 43 1 1 0 0 0 38 86 1 0 0 0 0 39 40 1 0 0 0 0 39 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 90 1 0 0 0 0 42 91 1 0 0 0 0 43 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 45 46 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 47 99 1 0 0 0 0 48100 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 50104 1 0 0 0 0 M END > 4320 > K $$$$ 4644 1016 111283D 4644 82 86 1 1 V2000 1.2793 -0.0607 -0.1357 C 0 0 1 0 0 0 0 0 0 1.8906 -1.2375 -0.9051 C 0 0 0 0 0 0 0 0 0 3.4045 -1.0580 -0.7619 C 0 0 0 0 0 0 0 0 0 2.4600 0.8926 0.1213 C 0 0 1 0 0 0 0 0 0 3.5748 0.4607 -0.8426 C 0 0 1 0 0 0 0 0 0 2.3349 2.4245 0.1911 C 0 0 1 0 0 0 0 0 0 1.1631 2.9053 1.0546 C 0 0 0 0 0 0 0 0 0 1.0044 4.4224 0.9468 C 0 0 0 0 0 0 0 0 0 4.8985 0.9949 -0.2781 C 0 0 0 0 0 0 0 0 0 3.6614 3.1106 0.6356 C 0 0 1 0 0 0 0 0 0 2.2973 5.1786 1.3081 C 0 0 1 0 0 0 0 0 0 4.8583 2.5280 -0.1650 C 0 0 0 0 0 0 0 0 0 3.4968 4.6653 0.4541 C 0 0 1 0 0 0 0 0 0 2.1238 6.7184 1.4884 C 0 0 1 0 0 0 0 0 0 1.0815 6.9734 2.6013 C 0 0 0 0 0 0 0 0 0 1.0292 8.4188 3.1069 C 0 0 0 0 0 0 0 0 0 4.7689 5.4147 0.9037 C 0 0 0 0 0 0 0 0 0 3.4814 7.2699 2.0027 C 0 0 1 0 0 0 0 0 0 2.4014 8.8725 3.6019 C 0 0 1 0 0 0 0 0 0 4.6173 6.9332 1.0237 C 0 0 0 0 0 0 0 0 0 3.4997 8.7258 2.5334 C 0 0 0 0 0 0 0 0 0 2.3248 10.2174 4.0218 O 0 0 0 0 0 0 0 0 0 4.8242 9.0187 3.2610 C 0 0 0 0 0 0 0 0 0 1.5921 7.4082 0.2137 C 0 0 0 0 0 0 0 0 0 3.3681 9.8032 1.4464 C 0 0 0 0 0 0 0 0 0 -0.0464 1.2350 -1.8248 C 0 0 0 0 0 0 0 0 0 3.3081 5.0323 -1.0378 C 0 0 0 0 0 0 0 0 0 -0.0089 0.4389 -0.7468 C 0 0 0 0 0 0 0 0 0 -1.3037 0.0152 -0.1086 C 0 0 0 0 0 0 0 0 0 4.0014 2.7282 2.1019 C 0 0 0 0 0 0 0 0 0 3.4482 0.8954 -2.3165 C 0 0 0 0 0 0 0 0 0 4.5916 0.4493 -3.0128 O 0 0 0 0 0 0 0 0 0 1.0097 -0.4455 0.8389 H 0 0 0 0 0 0 0 0 0 1.5650 -2.1885 -0.5087 H 0 0 0 0 0 0 0 0 0 1.6129 -1.1903 -1.9479 H 0 0 0 0 0 0 0 0 0 3.7194 -1.4177 0.2081 H 0 0 0 0 0 0 0 0 0 3.9536 -1.5790 -1.5336 H 0 0 0 0 0 0 0 0 0 2.7760 0.5900 1.1087 H 0 0 0 0 0 0 0 0 0 2.1000 2.7247 -0.8155 H 0 0 0 0 0 0 0 0 0 0.2398 2.4608 0.7196 H 0 0 0 0 0 0 0 0 0 1.3084 2.6207 2.0858 H 0 0 0 0 0 0 0 0 0 0.6970 4.6599 -0.0603 H 0 0 0 0 0 0 0 0 0 0.2026 4.6987 1.6136 H 0 0 0 0 0 0 0 0 0 5.0866 0.5605 0.6925 H 0 0 0 0 0 0 0 0 0 5.7147 0.7071 -0.9258 H 0 0 0 0 0 0 0 0 0 2.5106 4.8618 2.3158 H 0 0 0 0 0 0 0 0 0 5.7891 2.8531 0.2784 H 0 0 0 0 0 0 0 0 0 4.8603 2.8914 -1.1772 H 0 0 0 0 0 0 0 0 0 0.0913 6.7185 2.2524 H 0 0 0 0 0 0 0 0 0 1.3071 6.3463 3.4527 H 0 0 0 0 0 0 0 0 0 0.6861 9.0919 2.3368 H 0 0 0 0 0 0 0 0 0 0.3282 8.4747 3.9270 H 0 0 0 0 0 0 0 0 0 5.0635 5.0869 1.8875 H 0 0 0 0 0 0 0 0 0 5.5845 5.2000 0.2278 H 0 0 0 0 0 0 0 0 0 3.7038 6.6869 2.8872 H 0 0 0 0 0 0 0 0 0 2.6618 8.2512 4.4497 H 0 0 0 0 0 0 0 0 0 5.5595 7.3016 1.3982 H 0 0 0 0 0 0 0 0 0 4.4514 7.3887 0.0602 H 0 0 0 0 0 0 0 0 0 1.7470 10.2823 4.7753 H 0 0 0 0 0 0 0 0 0 4.7737 9.9794 3.7540 H 0 0 0 0 0 0 0 0 0 5.0218 8.2622 4.0070 H 0 0 0 0 0 0 0 0 0 5.6522 9.0492 2.5688 H 0 0 0 0 0 0 0 0 0 0.9170 6.7618 -0.3242 H 0 0 0 0 0 0 0 0 0 1.0318 8.3000 0.4392 H 0 0 0 0 0 0 0 0 0 2.3872 7.7108 -0.4459 H 0 0 0 0 0 0 0 0 0 3.4822 10.7832 1.8879 H 0 0 0 0 0 0 0 0 0 4.1354 9.6746 0.6971 H 0 0 0 0 0 0 0 0 0 2.4048 9.7772 0.9675 H 0 0 0 0 0 0 0 0 0 -0.9699 1.5477 -2.2159 H 0 0 0 0 0 0 0 0 0 0.8343 1.5574 -2.2890 H 0 0 0 0 0 0 0 0 0 3.2952 6.0938 -1.1933 H 0 0 0 0 0 0 0 0 0 4.1248 4.6775 -1.6438 H 0 0 0 0 0 0 0 0 0 2.3891 4.6442 -1.4452 H 0 0 0 0 0 0 0 0 0 -2.1241 0.6392 -0.4327 H 0 0 0 0 0 0 0 0 0 -1.5113 -1.0103 -0.3766 H 0 0 0 0 0 0 0 0 0 -1.2224 0.0896 0.9663 H 0 0 0 0 0 0 0 0 0 4.0728 1.6623 2.2385 H 0 0 0 0 0 0 0 0 0 4.9607 3.1227 2.3988 H 0 0 0 0 0 0 0 0 0 3.2692 3.0753 2.8109 H 0 0 0 0 0 0 0 0 0 2.5777 0.4652 -2.7858 H 0 0 0 0 0 0 0 0 0 3.3732 1.9690 -2.4032 H 0 0 0 0 0 0 0 0 0 4.5218 0.7062 -3.9264 H 0 0 0 0 0 0 0 0 0 1 28 1 6 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 33 1 1 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 5 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 6 0 0 0 4 38 1 1 0 0 0 5 31 1 6 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 6 7 1 1 0 0 0 6 39 1 6 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 11 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 12 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 13 1 6 0 0 0 10 12 1 0 0 0 0 10 30 1 1 0 0 0 11 13 1 6 0 0 0 11 14 1 0 0 0 0 11 46 1 1 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 17 1 1 0 0 0 13 27 1 6 0 0 0 14 18 1 0 0 0 0 14 15 1 1 0 0 0 14 24 1 6 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 19 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 20 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 21 1 0 0 0 0 18 20 1 6 0 0 0 18 55 1 1 0 0 0 19 22 1 0 0 0 0 19 21 1 6 0 0 0 19 56 1 1 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 28 2 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 29 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 32 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 82 1 0 0 0 0 M END > 4644 > K $$$$ 4728 1016 111283D 4728 9 9 0 1 V2000 -0.0965 1.3884 0.0104 N 0 0 0 0 0 0 0 0 0 1.8297 -0.2821 -0.0166 S 0 0 0 0 0 0 0 0 0 1.0302 2.1371 0.0038 N 0 0 0 0 0 0 0 0 0 0.1607 0.0664 0.0009 C 0 0 0 0 0 0 0 0 0 2.1519 1.3924 -0.0108 C 0 0 0 0 0 0 0 0 0 3.3971 1.9238 -0.0196 N 0 0 0 0 0 0 0 0 0 -0.5873 -0.6698 0.0040 H 0 0 0 0 0 0 0 0 0 3.5072 2.8871 -0.0156 H 0 0 0 0 0 0 0 0 0 4.1746 1.3453 -0.0300 H 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 M END > 4728 > K $$$$ 4810 1016 111283D 4810 33 35 0 2 V2000 2.8174 5.2211 0.6069 H 0 0 0 0 0 0 0 0 0 1.8741 5.1820 0.8267 N 0 0 0 0 0 0 0 0 0 1.2632 7.1876 -0.0334 O 0 0 0 0 0 0 0 0 0 1.8435 3.0044 1.9595 C 0 0 0 0 0 0 0 0 0 1.2551 4.1672 1.4844 C 0 0 0 0 0 0 0 0 0 1.0537 2.1011 2.6602 C 0 0 0 0 0 0 0 0 0 -0.1006 4.4122 1.6493 C 0 0 0 0 0 0 0 0 0 -0.3004 2.3566 2.8572 C 0 0 0 0 0 0 0 0 0 -0.8945 3.5082 2.3470 C 0 0 0 0 0 0 0 0 0 -0.3835 5.7205 0.9622 C 0 0 0 0 0 0 0 0 0 0.9789 6.1503 0.5155 C 0 0 0 0 0 0 0 0 0 -3.4178 8.0317 -0.0680 C 0 0 0 0 0 0 0 0 0 -3.6149 7.0727 0.9261 C 0 0 0 0 0 0 0 0 0 -4.3772 8.9990 -0.3378 C 0 0 0 0 0 0 0 0 0 -5.5480 9.0185 0.4048 C 0 0 0 0 0 0 0 0 0 -4.8361 7.0502 1.6081 C 0 0 0 0 0 0 0 0 0 -5.7841 8.0329 1.3512 C 0 0 0 0 0 0 0 0 0 -1.4336 6.3800 0.7457 N 0 0 0 0 0 0 0 0 0 -2.5981 6.1949 1.1961 N 0 0 0 0 0 0 0 0 0 -5.1650 6.1025 2.5343 N 0 3 0 0 0 0 0 0 0 -6.1749 6.2554 3.2576 O 0 0 0 0 0 0 0 0 0 -4.3868 4.8861 2.7327 O 0 5 0 0 0 0 0 0 0 -6.4841 9.9806 0.2376 N 0 3 0 0 0 0 0 0 0 -6.4217 10.8145 -0.6937 O 0 0 0 0 0 0 0 0 0 -7.5783 10.0083 1.1972 O 0 5 0 0 0 0 0 0 0 2.8630 2.8125 1.7927 H 0 0 0 0 0 0 0 0 0 1.4840 1.2211 3.0428 H 0 0 0 0 0 0 0 0 0 -0.8804 1.6676 3.3995 H 0 0 0 0 0 0 0 0 0 -1.9201 3.6729 2.4971 H 0 0 0 0 0 0 0 0 0 -2.5288 8.0321 -0.6294 H 0 0 0 0 0 0 0 0 0 -4.2192 9.7127 -1.0941 H 0 0 0 0 0 0 0 0 0 -6.6956 8.0369 1.8754 H 0 0 0 0 0 0 0 0 0 -2.7734 5.4187 1.7494 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 2 5 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 26 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 18 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 30 1 0 0 0 0 13 19 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 23 1 0 0 0 0 15 17 2 0 0 0 0 16 20 1 0 0 0 0 16 17 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 4 20 1 22 -1 23 1 25 -1 M END > 4810 > K $$$$ 4857 1016 111283D 4857 19 18 0 1 V2000 -0.0167 1.4416 -0.0107 N 0 0 0 0 0 0 0 0 0 1.2427 1.1769 0.6402 C 0 0 0 0 0 0 0 0 0 -0.3170 2.8021 -0.3871 C 0 0 0 0 0 0 0 0 0 -1.1235 3.4536 0.7336 C 0 0 0 0 0 0 0 0 0 2.2687 0.7649 -0.4130 C 0 0 0 0 0 0 0 0 0 -0.8957 0.4205 -0.2596 C 0 0 0 0 0 0 0 0 0 -2.2810 0.6651 -0.9400 S 0 0 0 0 0 0 0 0 0 -0.4939 -1.2600 0.1880 S 0 0 0 0 0 0 0 0 0 1.6013 2.0627 1.1467 H 0 0 0 0 0 0 0 0 0 1.1465 0.3947 1.3802 H 0 0 0 0 0 0 0 0 0 0.5951 3.3638 -0.5366 H 0 0 0 0 0 0 0 0 0 -0.8801 2.8421 -1.3091 H 0 0 0 0 0 0 0 0 0 -0.5491 3.4427 1.6487 H 0 0 0 0 0 0 0 0 0 -1.3573 4.4748 0.4714 H 0 0 0 0 0 0 0 0 0 -2.0415 2.9053 0.8872 H 0 0 0 0 0 0 0 0 0 3.2170 0.5578 0.0608 H 0 0 0 0 0 0 0 0 0 1.9279 -0.1202 -0.9304 H 0 0 0 0 0 0 0 0 0 2.3948 1.5649 -1.1282 H 0 0 0 0 0 0 0 0 0 -1.5546 -1.9700 -0.2339 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 8 19 1 0 0 0 0 M END > 4857 > K $$$$ 4960 1016 111283D 4960 17 17 0 1 V2000 2.3878 1.3643 0.2119 C 0 0 0 0 0 0 0 0 0 1.2009 2.0634 0.4170 C 0 0 0 0 0 0 0 0 0 2.3757 -0.0173 0.0678 C 0 0 0 0 0 0 0 0 0 0.0064 1.3572 0.4734 C 0 0 0 0 0 0 0 0 0 1.1767 -0.7177 0.1277 C 0 0 0 0 0 0 0 0 0 -0.0082 -0.0243 0.3302 C 0 0 0 0 0 0 0 0 0 1.1223 -2.0684 -0.0060 O 0 0 0 0 0 0 0 0 0 1.1118 3.4167 0.5723 O 0 0 0 0 0 0 0 0 0 2.2564 4.2008 0.2969 C 0 0 0 0 0 0 0 0 0 3.3040 1.8726 0.1647 H 0 0 0 0 0 0 0 0 0 3.2767 -0.5334 -0.0870 H 0 0 0 0 0 0 0 0 0 -0.8920 1.8787 0.6257 H 0 0 0 0 0 0 0 0 0 -0.9155 -0.5508 0.3745 H 0 0 0 0 0 0 0 0 0 1.9948 -2.4317 -0.1098 H 0 0 0 0 0 0 0 0 0 3.0094 4.0437 1.0556 H 0 0 0 0 0 0 0 0 0 2.6596 3.9653 -0.6782 H 0 0 0 0 0 0 0 0 0 1.9731 5.2433 0.3025 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 11 1 0 0 0 0 4 6 2 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 M END > 4960 > K $$$$ 5200 1016 111283D 5200 27 28 0 1 V2000 0.2184 0.7550 -1.8686 N 0 0 0 0 0 0 0 0 0 -0.5090 2.7355 -2.7381 N 0 0 0 0 0 0 0 0 0 2.3367 0.5448 -1.2589 O 0 0 0 0 0 0 0 0 0 -1.2563 3.2320 -3.1046 H 0 0 0 0 0 0 0 0 0 2.9842 3.2491 -2.0560 N 0 0 0 0 0 0 0 0 0 3.8623 2.6998 -1.6763 N 0 0 0 0 0 0 0 0 0 1.4748 1.2526 -1.7242 C 0 0 0 0 0 0 0 0 0 1.7562 2.6681 -2.1461 C 0 0 0 0 0 0 0 0 0 0.7038 3.3469 -2.6279 C 0 0 0 0 0 0 0 0 0 5.3726 4.5485 -1.9892 C 0 0 0 0 0 0 0 0 0 6.6526 5.0722 -1.8609 C 0 0 0 0 0 0 0 0 0 5.1022 3.2489 -1.5732 C 0 0 0 0 0 0 0 0 0 7.6679 4.2968 -1.3163 C 0 0 0 0 0 0 0 0 0 6.1221 2.4762 -1.0333 C 0 0 0 0 0 0 0 0 0 7.4029 2.9976 -0.9034 C 0 0 0 0 0 0 0 0 0 -0.7064 1.4471 -2.3504 C 0 0 0 0 0 0 0 0 0 -1.9321 0.9002 -2.4884 N 0 0 0 0 0 0 0 0 0 0.8057 4.7164 -3.0411 N 0 0 0 0 0 0 0 0 0 4.6068 5.1365 -2.4021 H 0 0 0 0 0 0 0 0 0 6.8521 6.0543 -2.1760 H 0 0 0 0 0 0 0 0 0 8.6359 4.6928 -1.2171 H 0 0 0 0 0 0 0 0 0 5.9207 1.4933 -0.7221 H 0 0 0 0 0 0 0 0 0 8.1702 2.4091 -0.4927 H 0 0 0 0 0 0 0 0 0 -2.0820 -0.0184 -2.2159 H 0 0 0 0 0 0 0 0 0 -2.6621 1.4188 -2.8575 H 0 0 0 0 0 0 0 0 0 -0.0615 5.1982 -2.9157 H 0 0 0 0 0 0 0 0 0 1.5341 5.2034 -2.5578 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 16 2 0 0 0 0 2 16 1 0 0 0 0 2 9 1 0 0 0 0 2 4 1 0 0 0 0 3 7 2 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 M END > 5200 > K $$$$ 5354 1016 111283D 5354 16 16 0 1 V2000 -0.0471 1.3911 0.0129 C 0 0 0 0 0 0 0 0 0 1.1550 2.0908 0.0040 C 0 0 0 0 0 0 0 0 0 -0.0281 -0.0056 0.0037 C 0 0 0 0 0 0 0 0 0 1.1925 -0.6722 -0.0127 C 0 0 0 0 0 0 0 0 0 2.3697 1.4192 -0.0128 C 0 0 0 0 0 0 0 0 0 2.3885 0.0322 -0.0208 C 0 0 0 0 0 0 0 0 0 -1.2013 2.1185 0.0307 N 0 0 0 0 0 0 0 0 0 -1.1622 -0.7641 0.0099 N 0 0 0 0 0 0 0 0 0 1.1467 3.1407 0.0100 H 0 0 0 0 0 0 0 0 0 1.2126 -1.7219 -0.0190 H 0 0 0 0 0 0 0 0 0 3.2707 1.9588 -0.0193 H 0 0 0 0 0 0 0 0 0 3.3038 -0.4827 -0.0329 H 0 0 0 0 0 0 0 0 0 -1.1704 3.0886 0.0350 H 0 0 0 0 0 0 0 0 0 -2.0667 1.6844 0.0395 H 0 0 0 0 0 0 0 0 0 -1.1050 -1.7330 0.0040 H 0 0 0 0 0 0 0 0 0 -2.0391 -0.3537 0.0203 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 M END > 5354 > K $$$$ 5890 1016 111283D 5890 41 43 1 1 V2000 2.3279 -5.0567 3.5926 O 0 0 0 0 0 0 0 0 0 -0.8348 -2.5225 2.0150 O 0 0 0 0 0 0 0 0 0 3.3122 -1.5703 0.6026 O 0 0 0 0 0 0 0 0 0 0.1918 -2.9879 1.5816 C 0 0 0 0 0 0 0 0 0 1.0536 -2.1910 0.6423 C 0 0 1 0 0 0 0 0 0 0.6567 -4.3663 1.9590 C 0 0 1 0 0 0 0 0 0 2.4844 -2.3013 1.0901 C 0 0 0 0 0 0 0 0 0 2.0256 -4.2155 2.5684 C 0 0 0 0 0 0 0 0 0 0.0825 -5.0582 3.1447 C 0 0 0 0 0 0 0 0 0 -1.2500 -5.3125 3.4268 C 0 0 0 0 0 0 0 0 0 -1.5608 -5.9740 4.6174 C 0 0 0 0 0 0 0 0 0 1.0936 -5.4562 3.9930 C 0 0 0 0 0 0 0 0 0 -0.5320 -6.4338 5.4481 C 0 0 0 0 0 0 0 0 0 2.9019 -3.3008 2.1322 C 0 0 0 0 0 0 0 0 0 0.8032 -6.1909 5.1309 C 0 0 0 0 0 0 0 0 0 -0.7624 -7.1299 6.5961 O 0 0 0 0 0 0 0 0 0 -3.0004 -6.1948 5.0104 C 0 0 0 0 0 0 0 0 0 -2.1469 -4.8826 2.4994 O 0 0 0 0 0 0 0 0 0 1.9502 -6.6907 5.9667 C 0 0 0 0 0 0 0 0 0 3.0846 -6.4493 5.6296 O 0 0 0 0 0 0 0 0 0 1.7568 -7.4898 7.2181 C 0 0 0 0 0 0 0 0 0 0.6944 -5.3598 0.7908 C 0 0 0 0 0 0 0 0 0 0.8887 -2.6661 -0.7754 C 0 0 0 0 0 0 0 0 0 -0.0936 -3.3010 -1.0754 O 0 0 0 0 0 0 0 0 0 1.9022 -2.3868 -1.8470 C 0 0 0 0 0 0 0 0 0 0.7497 -1.1571 0.6893 H 0 0 0 0 0 0 0 0 0 3.8764 -3.2779 2.5203 H 0 0 0 0 0 0 0 0 0 -1.6677 -7.3907 6.7038 H 0 0 0 0 0 0 0 0 0 -3.3008 -7.1892 4.7137 H 0 0 0 0 0 0 0 0 0 -3.1274 -6.0819 6.0765 H 0 0 0 0 0 0 0 0 0 -3.6587 -5.4709 4.5573 H 0 0 0 0 0 0 0 0 0 -3.0346 -5.1607 2.6745 H 0 0 0 0 0 0 0 0 0 1.2229 -8.3997 6.9882 H 0 0 0 0 0 0 0 0 0 2.7231 -7.7384 7.6311 H 0 0 0 0 0 0 0 0 0 1.2009 -6.9057 7.9359 H 0 0 0 0 0 0 0 0 0 1.3710 -5.0247 0.0195 H 0 0 0 0 0 0 0 0 0 1.0373 -6.3277 1.1287 H 0 0 0 0 0 0 0 0 0 -0.2956 -5.4684 0.3707 H 0 0 0 0 0 0 0 0 0 2.6634 -3.1522 -1.8068 H 0 0 0 0 0 0 0 0 0 1.4264 -2.4193 -2.8163 H 0 0 0 0 0 0 0 0 0 2.3591 -1.4192 -1.7047 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 4 2 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 1 0 0 0 5 23 1 6 0 0 0 5 26 1 0 0 0 0 6 8 1 1 0 0 0 6 9 1 0 0 0 0 6 22 1 6 0 0 0 7 14 1 0 0 0 0 8 14 2 0 0 0 0 9 12 2 0 0 0 0 9 10 1 0 0 0 0 10 18 1 0 0 0 0 10 11 2 0 0 0 0 11 17 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 15 2 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END > 5890 > K $$$$ 7210 1016 111283D 7210 26 28 0 1 V2000 0.1481 4.1755 0.3390 O 0 0 0 0 0 0 0 0 0 4.6823 1.5554 -0.4060 O 0 0 0 0 0 0 0 0 0 -0.0185 1.3239 0.2096 C 0 0 0 0 0 0 0 0 0 1.1580 2.0681 0.0879 C 0 0 0 0 0 0 0 0 0 0.0276 -0.0620 0.1359 C 0 0 0 0 0 0 0 0 0 1.1807 3.5784 0.1598 C 0 0 0 0 0 0 0 0 0 2.4685 4.3574 0.0121 C 0 0 0 0 0 0 0 0 0 2.5169 5.7530 0.0631 C 0 0 0 0 0 0 0 0 0 3.7321 6.4098 -0.0785 C 0 0 0 0 0 0 0 0 0 1.2298 -0.7259 -0.0583 C 0 0 0 0 0 0 0 0 0 2.3610 1.3943 -0.1075 C 0 0 0 0 0 0 0 0 0 3.6531 3.6516 -0.1824 C 0 0 0 0 0 0 0 0 0 4.9078 5.6998 -0.2716 C 0 0 0 0 0 0 0 0 0 2.3999 0.0075 -0.1803 C 0 0 0 0 0 0 0 0 0 3.6456 2.1542 -0.2445 C 0 0 0 0 0 0 0 0 0 4.8655 4.3151 -0.3235 C 0 0 0 0 0 0 0 0 0 1.4588 6.5887 0.2444 O 0 0 0 0 0 0 0 0 0 -1.2697 1.8224 0.4015 O 0 0 0 0 0 0 0 0 0 -0.8636 -0.6096 0.2293 H 0 0 0 0 0 0 0 0 0 3.7549 7.4590 -0.0379 H 0 0 0 0 0 0 0 0 0 1.2531 -1.7750 -0.1125 H 0 0 0 0 0 0 0 0 0 5.8219 6.2070 -0.3776 H 0 0 0 0 0 0 0 0 0 3.3149 -0.4889 -0.3279 H 0 0 0 0 0 0 0 0 0 5.7527 3.7702 -0.4696 H 0 0 0 0 0 0 0 0 0 0.6333 6.1353 0.3429 H 0 0 0 0 0 0 0 0 0 -1.2945 2.7674 0.4553 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 11 1 0 0 0 0 4 6 1 0 0 0 0 5 10 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 M END > 7210 > K $$$$ 7364 1016 111283D 7364 27 28 0 1 V2000 1.6817 1.4574 -1.1379 C 0 0 0 0 0 0 0 0 0 1.7080 0.0685 -1.1384 C 0 0 0 0 0 0 0 0 0 0.6454 -2.8942 -1.0723 C 0 0 0 0 0 0 0 0 0 1.1500 2.1446 -0.0547 C 0 0 0 0 0 0 0 0 0 1.2025 -0.6444 -0.0564 C 0 0 0 0 0 0 0 0 0 1.2340 -2.1538 -0.0501 C 0 0 0 0 0 0 0 0 0 1.2591 -4.9043 -0.0284 C 0 0 0 0 0 0 0 0 0 0.6411 1.4379 1.0277 C 0 0 0 0 0 0 0 0 0 0.6660 0.0494 1.0228 C 0 0 0 0 0 0 0 0 0 1.8524 -2.8638 0.9760 C 0 0 0 0 0 0 0 0 0 0.6903 -4.2427 -1.0527 N 0 0 0 0 0 0 0 0 0 1.8263 -4.2147 0.9788 N 0 0 0 0 0 0 0 0 0 -0.0319 2.2759 2.3976 Cl 0 0 0 0 0 0 0 0 0 1.1285 3.8858 -0.0677 Cl 0 0 0 0 0 0 0 0 0 1.2629 -6.2539 -0.0083 N 0 0 0 0 0 0 0 0 0 0.0002 -2.3353 -2.1283 N 0 0 0 0 0 0 0 0 0 2.5714 -2.1952 2.1122 C 0 0 0 0 0 0 0 0 0 2.0647 1.9913 -1.9575 H 0 0 0 0 0 0 0 0 0 2.1147 -0.4423 -1.9619 H 0 0 0 0 0 0 0 0 0 0.2717 -0.4737 1.8435 H 0 0 0 0 0 0 0 0 0 0.8476 -6.7482 -0.7306 H 0 0 0 0 0 0 0 0 0 1.6809 -6.7233 0.7288 H 0 0 0 0 0 0 0 0 0 -0.3536 -2.9126 -2.8233 H 0 0 0 0 0 0 0 0 0 -0.1181 -1.3773 -2.2051 H 0 0 0 0 0 0 0 0 0 1.8589 -1.7799 2.8086 H 0 0 0 0 0 0 0 0 0 3.1750 -2.9244 2.6325 H 0 0 0 0 0 0 0 0 0 3.2170 -1.4139 1.7386 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 18 1 0 0 0 0 2 5 1 0 0 0 0 2 19 1 0 0 0 0 3 16 1 0 0 0 0 3 11 1 0 0 0 0 3 6 2 0 0 0 0 4 14 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 7 15 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 M END > 7364 > K $$$$ 7521 1016 111283D 7521 80 85 1 1 V2000 0.3838 0.6730 1.7503 O 0 0 0 0 0 0 0 0 0 -0.5176 -0.9575 0.4713 O 0 0 0 0 0 0 0 0 0 -5.0970 -2.5683 3.0934 H 0 0 0 0 0 0 0 0 0 -5.4404 -5.2305 1.7423 H 0 0 0 0 0 0 0 0 0 -10.1540 -8.1941 4.4819 O 0 0 0 0 0 0 0 0 0 -12.2779 -8.8378 4.3990 O 0 0 0 0 0 0 0 0 0 -9.2023 -3.8147 4.5963 H 0 0 0 0 0 0 0 0 0 -11.4887 -7.9243 4.4188 C 0 0 0 0 0 0 0 0 0 -12.0007 -6.5185 4.3735 C 0 0 0 0 0 0 0 0 0 -11.1099 -5.5218 4.3864 C 0 0 0 0 0 0 0 0 0 -9.6451 -5.8525 4.4411 C 0 0 0 0 0 0 0 0 0 -9.2766 -7.1453 4.4809 C 0 0 0 0 0 0 0 0 0 -8.6363 -4.7240 4.4471 C 0 0 2 0 0 0 0 0 0 -7.7862 -4.5653 3.1647 C 0 0 1 0 0 0 0 0 0 -7.6385 -4.8140 5.6110 C 0 0 0 0 0 0 0 0 0 -7.7759 -3.0774 2.7606 C 0 0 0 0 0 0 0 0 0 -6.7059 -2.7457 1.7220 C 0 0 0 0 0 0 0 0 0 -6.2882 -4.4203 5.0214 C 0 0 0 0 0 0 0 0 0 -6.3851 -5.0127 3.6137 C 0 0 2 0 0 0 0 0 0 -5.3000 -3.1421 2.1994 C 0 0 1 0 0 0 0 0 0 -5.2708 -4.6263 2.6209 C 0 0 1 0 0 0 0 0 0 -4.2019 -2.7749 1.1682 C 0 0 1 0 0 0 0 0 0 -4.1658 -1.2423 0.9983 C 0 0 0 0 0 0 0 0 0 -2.8756 -0.7675 0.3320 C 0 0 0 0 0 0 0 0 0 -3.8831 -4.9909 3.1656 C 0 0 0 0 0 0 0 0 0 -2.8685 -3.3086 1.6566 C 0 0 0 0 0 0 0 0 0 -1.6968 -1.1350 1.2269 C 0 0 1 0 0 0 0 0 0 -2.7982 -4.7370 2.1238 C 0 0 0 0 0 0 0 0 0 -1.7494 -2.5667 1.6861 C 0 0 0 0 0 0 0 0 0 0.6028 -0.6406 1.2691 C 0 0 1 0 0 0 0 0 0 1.8406 -0.7079 0.3742 C 0 0 1 0 0 0 0 0 0 3.0156 -0.2128 1.2195 C 0 0 1 0 0 0 0 0 0 1.4557 1.1806 2.5245 C 0 0 1 0 0 0 0 0 0 2.7421 1.2196 1.6895 C 0 0 1 0 0 0 0 0 0 3.8523 1.7052 2.4179 O 0 0 0 0 0 0 0 0 0 3.1756 -1.0652 2.3379 O 0 0 0 0 0 0 0 0 0 1.0296 2.5723 2.9826 C 0 0 0 0 0 0 0 0 0 2.0995 -2.0196 -0.0893 O 0 0 0 0 0 0 0 0 0 -4.4498 -3.4168 -0.2081 C 0 0 0 0 0 0 0 0 0 -6.4246 -6.4209 3.7253 O 0 0 0 0 0 0 0 0 0 -8.2792 -5.3986 1.9685 C 0 0 0 0 0 0 0 0 0 -13.0320 -6.3302 4.3330 H 0 0 0 0 0 0 0 0 0 -11.4329 -4.5226 4.3584 H 0 0 0 0 0 0 0 0 0 -8.2536 -7.3785 4.5131 H 0 0 0 0 0 0 0 0 0 -7.9147 -4.1667 6.4312 H 0 0 0 0 0 0 0 0 0 -7.5630 -5.8276 5.9771 H 0 0 0 0 0 0 0 0 0 -8.7445 -2.8057 2.3651 H 0 0 0 0 0 0 0 0 0 -7.5938 -2.4541 3.6242 H 0 0 0 0 0 0 0 0 0 -6.9438 -3.2518 0.7993 H 0 0 0 0 0 0 0 0 0 -6.7465 -1.6818 1.5413 H 0 0 0 0 0 0 0 0 0 -6.1853 -3.3456 4.9932 H 0 0 0 0 0 0 0 0 0 -5.4728 -4.8431 5.5898 H 0 0 0 0 0 0 0 0 0 -5.0053 -0.9097 0.4050 H 0 0 0 0 0 0 0 0 0 -4.2291 -0.7672 1.9676 H 0 0 0 0 0 0 0 0 0 -2.7557 -1.2308 -0.6356 H 0 0 0 0 0 0 0 0 0 -2.8975 0.3046 0.2006 H 0 0 0 0 0 0 0 0 0 -3.6681 -4.4018 4.0460 H 0 0 0 0 0 0 0 0 0 -3.8433 -6.0371 3.4292 H 0 0 0 0 0 0 0 0 0 -1.7248 -0.4893 2.0959 H 0 0 0 0 0 0 0 0 0 -1.8359 -4.9620 2.5617 H 0 0 0 0 0 0 0 0 0 -2.9475 -5.3936 1.2786 H 0 0 0 0 0 0 0 0 0 -0.8633 -2.9978 2.0483 H 0 0 0 0 0 0 0 0 0 0.7288 -1.3429 2.0838 H 0 0 0 0 0 0 0 0 0 1.6852 -0.0462 -0.4659 H 0 0 0 0 0 0 0 0 0 3.9149 -0.2166 0.6200 H 0 0 0 0 0 0 0 0 0 1.6202 0.5651 3.3994 H 0 0 0 0 0 0 0 0 0 2.5792 1.8420 0.8200 H 0 0 0 0 0 0 0 0 0 3.7631 2.6419 2.5567 H 0 0 0 0 0 0 0 0 0 3.4325 -1.9294 2.0264 H 0 0 0 0 0 0 0 0 0 0.1076 2.4929 3.5397 H 0 0 0 0 0 0 0 0 0 1.7866 3.0095 3.6165 H 0 0 0 0 0 0 0 0 0 0.8658 3.2053 2.1227 H 0 0 0 0 0 0 0 0 0 1.3285 -2.3247 -0.5623 H 0 0 0 0 0 0 0 0 0 -3.6124 -3.2375 -0.8662 H 0 0 0 0 0 0 0 0 0 -4.5791 -4.4848 -0.1210 H 0 0 0 0 0 0 0 0 0 -5.3332 -3.0012 -0.6695 H 0 0 0 0 0 0 0 0 0 -5.6785 -6.7438 4.2186 H 0 0 0 0 0 0 0 0 0 -9.2908 -5.1173 1.7146 H 0 0 0 0 0 0 0 0 0 -7.6508 -5.2507 1.1040 H 0 0 0 0 0 0 0 0 0 -8.2574 -6.4519 2.2028 H 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 33 1 0 0 0 0 2 27 1 0 0 0 0 2 30 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 1 0 0 0 14 19 1 0 0 0 0 14 16 1 6 0 0 0 14 41 1 1 0 0 0 15 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 20 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 40 1 1 0 0 0 19 21 1 6 0 0 0 20 22 1 6 0 0 0 20 21 1 1 0 0 0 21 25 1 6 0 0 0 22 26 1 0 0 0 0 22 23 1 6 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 29 2 0 0 0 0 27 29 1 1 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 6 0 0 0 30 63 1 1 0 0 0 31 38 1 1 0 0 0 31 32 1 0 0 0 0 31 64 1 6 0 0 0 32 36 1 1 0 0 0 32 34 1 0 0 0 0 32 65 1 6 0 0 0 33 34 1 6 0 0 0 33 37 1 0 0 0 0 33 66 1 1 0 0 0 34 35 1 1 0 0 0 34 67 1 6 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 M END > 7521 > K $$$$ 7522 1016 111283D 7522 83 88 1 1 V2000 -1.6092 1.2047 2.2481 O 0 0 0 0 0 0 0 0 0 -2.9375 -0.3191 3.3224 O 0 0 0 0 0 0 0 0 0 -5.8408 1.7709 5.9820 H 0 0 0 0 0 0 0 0 0 -8.1905 0.0022 6.6053 H 0 0 0 0 0 0 0 0 0 -11.7508 4.0980 10.7548 O 0 0 0 0 0 0 0 0 0 -8.5662 4.6407 8.3600 H 0 0 0 0 0 0 0 0 0 -11.5846 2.4875 12.3447 O 0 0 0 0 0 0 0 0 0 -11.1397 3.0547 11.3765 C 0 0 0 0 0 0 0 0 0 -9.8611 2.6980 10.7226 C 0 0 0 0 0 0 0 0 0 -9.7150 3.5517 9.7112 C 0 0 0 0 0 0 0 0 0 -10.9137 4.4572 9.6625 C 0 0 0 0 0 0 0 0 0 -8.5564 3.6311 8.7470 C 0 0 2 0 0 0 0 0 0 -8.6103 2.6388 7.5653 C 0 0 1 0 0 0 0 0 0 -7.2101 3.3904 9.4455 C 0 0 0 0 0 0 0 0 0 -8.0277 3.3235 6.3133 C 0 0 0 0 0 0 0 0 0 -7.7091 2.3307 5.1949 C 0 0 0 0 0 0 0 0 0 -6.5380 2.2477 8.6935 C 0 0 0 0 0 0 0 0 0 -7.6998 1.4945 8.0392 C 0 0 2 0 0 0 0 0 0 -6.7288 1.2459 5.6679 C 0 0 1 0 0 0 0 0 0 -7.2933 0.5224 6.9100 C 0 0 1 0 0 0 0 0 0 -6.3079 0.2542 4.5523 C 0 0 1 0 0 0 0 0 0 -5.6416 0.9267 3.3373 C 0 0 0 0 0 0 0 0 0 -4.3212 1.6194 3.6788 C 0 0 0 0 0 0 0 0 0 -6.3103 -0.5373 7.4308 C 0 0 0 0 0 0 0 0 0 -5.3021 -0.7783 5.1060 C 0 0 2 0 0 0 0 0 0 -3.3300 0.6308 4.2931 C 0 0 1 0 0 0 0 0 0 -5.8695 -1.5032 6.3318 C 0 0 0 0 0 0 0 0 0 -3.9511 -0.1263 5.4648 C 0 0 0 0 0 0 0 0 0 -1.6358 -0.0839 2.8318 C 0 0 1 0 0 0 0 0 0 -1.3013 -1.1369 1.7813 C 0 0 0 0 0 0 0 0 0 0.1061 -0.8201 1.2780 C 0 0 1 0 0 0 0 0 0 -0.3299 1.5669 1.7568 C 0 0 1 0 0 0 0 0 0 0.1315 0.5861 0.6706 C 0 0 1 0 0 0 0 0 0 1.4317 0.8696 0.1907 O 0 0 0 0 0 0 0 0 0 0.9609 -0.8642 2.4090 O 0 0 0 0 0 0 0 0 0 1.6525 -2.0860 2.5727 C 0 0 0 0 0 0 0 0 0 -0.4627 2.9863 1.2130 C 0 0 0 0 0 0 0 0 0 -5.1738 -1.7900 4.1277 O 0 0 0 0 0 0 0 0 0 -7.4997 -0.4739 3.9799 C 0 0 0 0 0 0 0 0 0 -8.4195 0.1427 3.4959 O 0 0 0 0 0 0 0 0 0 -8.4129 0.8048 9.0455 O 0 0 0 0 0 0 0 0 0 -10.0279 2.1343 7.2427 C 0 0 0 0 0 0 0 0 0 -9.2100 1.9278 11.0102 H 0 0 0 0 0 0 0 0 0 -11.4468 4.3222 8.7322 H 0 0 0 0 0 0 0 0 0 -10.6045 5.4886 9.7561 H 0 0 0 0 0 0 0 0 0 -6.5905 4.2751 9.4182 H 0 0 0 0 0 0 0 0 0 -7.3420 3.0954 10.4759 H 0 0 0 0 0 0 0 0 0 -8.7300 4.0572 5.9423 H 0 0 0 0 0 0 0 0 0 -7.1164 3.8489 6.5619 H 0 0 0 0 0 0 0 0 0 -8.6288 1.8833 4.8515 H 0 0 0 0 0 0 0 0 0 -7.2794 2.8878 4.3760 H 0 0 0 0 0 0 0 0 0 -5.8732 2.6584 7.9492 H 0 0 0 0 0 0 0 0 0 -5.9717 1.6174 9.3635 H 0 0 0 0 0 0 0 0 0 -5.4282 0.1711 2.5927 H 0 0 0 0 0 0 0 0 0 -6.3124 1.6436 2.8872 H 0 0 0 0 0 0 0 0 0 -3.8908 2.0271 2.7757 H 0 0 0 0 0 0 0 0 0 -4.4991 2.4314 4.3680 H 0 0 0 0 0 0 0 0 0 -5.4369 -0.0593 7.8478 H 0 0 0 0 0 0 0 0 0 -6.7781 -1.1214 8.2095 H 0 0 0 0 0 0 0 0 0 -2.4861 1.1926 4.6733 H 0 0 0 0 0 0 0 0 0 -5.1258 -2.1828 6.7230 H 0 0 0 0 0 0 0 0 0 -6.7245 -2.0911 6.0322 H 0 0 0 0 0 0 0 0 0 -4.0689 0.5704 6.2800 H 0 0 0 0 0 0 0 0 0 -3.2580 -0.8930 5.7787 H 0 0 0 0 0 0 0 0 0 -0.9209 -0.1580 3.6436 H 0 0 0 0 0 0 0 0 0 -1.3282 -2.1187 2.2298 H 0 0 0 0 0 0 0 0 0 -2.0184 -1.0837 0.9757 H 0 0 0 0 0 0 0 0 0 0.3950 -1.5196 0.5050 H 0 0 0 0 0 0 0 0 0 0.3969 1.5698 2.5587 H 0 0 0 0 0 0 0 0 0 -0.5710 0.6132 -0.1512 H 0 0 0 0 0 0 0 0 0 1.4200 1.6739 -0.3166 H 0 0 0 0 0 0 0 0 0 2.2675 -2.0199 3.4585 H 0 0 0 0 0 0 0 0 0 0.9609 -2.9073 2.6947 H 0 0 0 0 0 0 0 0 0 2.2932 -2.2694 1.7216 H 0 0 0 0 0 0 0 0 0 -0.8299 3.6322 1.9968 H 0 0 0 0 0 0 0 0 0 0.4958 3.3514 0.8748 H 0 0 0 0 0 0 0 0 0 -1.1648 2.9994 0.3921 H 0 0 0 0 0 0 0 0 0 -4.2613 -2.0338 4.0005 H 0 0 0 0 0 0 0 0 0 -7.5389 -1.5235 3.9941 H 0 0 0 0 0 0 0 0 0 -7.8434 0.2049 9.5137 H 0 0 0 0 0 0 0 0 0 -10.6570 2.9615 6.9483 H 0 0 0 0 0 0 0 0 0 -10.0137 1.4117 6.4411 H 0 0 0 0 0 0 0 0 0 -10.4636 1.6531 8.1058 H 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 32 1 0 0 0 0 2 26 1 0 0 0 0 2 29 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 1 0 0 0 13 18 1 1 0 0 0 13 15 1 6 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 19 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 41 1 1 0 0 0 18 20 1 6 0 0 0 19 21 1 6 0 0 0 19 20 1 1 0 0 0 20 24 1 1 0 0 0 21 39 1 0 0 0 0 21 25 1 1 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 26 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 38 1 6 0 0 0 25 28 1 0 0 0 0 25 27 1 1 0 0 0 26 28 1 1 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 6 0 0 0 29 65 1 1 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 35 1 1 0 0 0 31 33 1 0 0 0 0 31 68 1 6 0 0 0 32 33 1 6 0 0 0 32 37 1 0 0 0 0 32 69 1 1 0 0 0 33 34 1 0 0 0 0 33 70 1 6 0 0 0 34 71 1 0 0 0 0 35 36 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 78 1 0 0 0 0 39 40 2 0 0 0 0 39 79 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 M END > 7522 > K $$$$ 7525 1016 111283D 7525 101107 1 1 V2000 2.5105 -3.0495 5.4917 O 0 0 0 0 0 0 0 0 0 1.9325 -1.4453 7.0323 O 0 0 0 0 0 0 0 0 0 -0.8042 -2.5884 8.3030 O 0 0 0 0 0 0 0 0 0 -1.0131 -4.2705 6.8105 O 0 0 0 0 0 0 0 0 0 0.5132 -8.9254 9.2434 H 0 0 0 0 0 0 0 0 0 1.2811 -10.5465 6.8288 H 0 0 0 0 0 0 0 0 0 4.4687 -15.3479 8.7675 O 0 0 0 0 0 0 0 0 0 4.4596 -17.5651 8.6915 O 0 0 0 0 0 0 0 0 0 1.2255 -13.2231 10.9905 H 0 0 0 0 0 0 0 0 0 3.8919 -16.5544 9.0277 C 0 0 0 0 0 0 0 0 0 2.5695 -16.6550 9.7223 C 0 0 0 0 0 0 0 0 0 1.9623 -15.5225 10.0904 C 0 0 0 0 0 0 0 0 0 2.6276 -14.2073 9.7960 C 0 0 0 0 0 0 0 0 0 3.8123 -14.2148 9.1589 C 0 0 0 0 0 0 0 0 0 1.9322 -12.9323 10.2254 C 0 0 2 0 0 0 0 0 0 1.1684 -12.2017 9.1008 C 0 0 1 0 0 0 0 0 0 2.8763 -11.8862 10.8394 C 0 0 0 0 0 0 0 0 0 -0.1001 -11.5598 9.6958 C 0 0 0 0 0 0 0 0 0 -0.7510 -10.5526 8.7489 C 0 0 0 0 0 0 0 0 0 2.7426 -10.6265 9.9866 C 0 0 0 0 0 0 0 0 0 2.1652 -11.1206 8.6569 C 0 0 2 0 0 0 0 0 0 0.2292 -9.4429 8.3376 C 0 0 1 0 0 0 0 0 0 1.5253 -10.0476 7.7548 C 0 0 1 0 0 0 0 0 0 -0.4245 -8.3855 7.4127 C 0 0 1 0 0 0 0 0 0 -1.5712 -7.6815 8.1676 C 0 0 0 0 0 0 0 0 0 -1.9484 -6.3429 7.5316 C 0 0 0 0 0 0 0 0 0 2.5309 -8.9368 7.4238 C 0 0 0 0 0 0 0 0 0 0.6492 -7.4012 6.9909 C 0 0 0 0 0 0 0 0 0 -0.7439 -5.4086 7.6036 C 0 0 1 0 0 0 0 0 0 1.9393 -7.9389 6.4359 C 0 0 0 0 0 0 0 0 0 0.5047 -6.0705 7.0851 C 0 0 0 0 0 0 0 0 0 -0.2015 -3.1658 7.1568 C 0 0 1 0 0 0 0 0 0 -0.1930 -2.1593 6.0060 C 0 0 1 0 0 0 0 0 0 0.6845 -1.0093 6.5108 C 0 0 1 0 0 0 0 0 0 -0.1453 -1.4298 8.7857 C 0 0 1 0 0 0 0 0 0 -0.0366 -0.3562 7.6922 C 0 0 1 0 0 0 0 0 0 3.4068 -3.4637 4.4734 C 0 0 1 0 0 0 0 0 0 4.8112 -3.6983 5.0421 C 0 0 1 0 0 0 0 0 0 5.2791 -2.4167 5.7444 C 0 0 1 0 0 0 0 0 0 4.2448 -1.9883 6.7939 C 0 0 1 0 0 0 0 0 0 2.8974 -1.8221 6.0755 C 0 0 1 0 0 0 0 0 0 4.7770 -4.8145 5.9098 O 0 0 0 0 0 0 0 0 0 3.7205 -5.0274 2.6980 O 0 0 0 0 0 0 0 0 0 2.9064 -4.7458 3.8187 C 0 0 0 0 0 0 0 0 0 6.5768 -2.6235 6.2698 O 0 0 0 0 0 0 0 0 0 0.6903 0.7834 8.1085 O 0 0 0 0 0 0 0 0 0 4.2038 -2.9134 7.8641 O 0 0 0 0 0 0 0 0 0 -0.9545 -0.9348 9.9805 C 0 0 0 0 0 0 0 0 0 0.2535 -2.6589 4.7597 O 0 0 0 0 0 0 0 0 0 -0.9968 -9.0061 6.1264 C 0 0 0 0 0 0 0 0 0 0.7695 -13.1146 7.9275 C 0 0 0 0 0 0 0 0 0 3.1809 -11.7709 7.9236 O 0 0 0 0 0 0 0 0 0 2.1394 -17.5933 9.9099 H 0 0 0 0 0 0 0 0 0 1.0331 -15.5547 10.5800 H 0 0 0 0 0 0 0 0 0 4.2788 -13.3017 8.9414 H 0 0 0 0 0 0 0 0 0 2.5972 -11.6668 11.8605 H 0 0 0 0 0 0 0 0 0 3.9032 -12.2211 10.8331 H 0 0 0 0 0 0 0 0 0 -0.8177 -12.3324 9.9337 H 0 0 0 0 0 0 0 0 0 0.1373 -11.0429 10.6147 H 0 0 0 0 0 0 0 0 0 -1.1132 -11.0753 7.8771 H 0 0 0 0 0 0 0 0 0 -1.6001 -10.1222 9.2591 H 0 0 0 0 0 0 0 0 0 2.0597 -9.9412 10.4667 H 0 0 0 0 0 0 0 0 0 3.6962 -10.1364 9.8553 H 0 0 0 0 0 0 0 0 0 -2.4462 -8.3152 8.1960 H 0 0 0 0 0 0 0 0 0 -1.2688 -7.4846 9.1869 H 0 0 0 0 0 0 0 0 0 -2.2386 -6.4810 6.5010 H 0 0 0 0 0 0 0 0 0 -2.7745 -5.8972 8.0666 H 0 0 0 0 0 0 0 0 0 2.8102 -8.4120 8.3265 H 0 0 0 0 0 0 0 0 0 3.4202 -9.3498 6.9720 H 0 0 0 0 0 0 0 0 0 -0.5926 -5.1389 8.6415 H 0 0 0 0 0 0 0 0 0 2.6593 -7.1498 6.2711 H 0 0 0 0 0 0 0 0 0 1.7468 -8.4277 5.4919 H 0 0 0 0 0 0 0 0 0 1.3025 -5.4571 6.7852 H 0 0 0 0 0 0 0 0 0 0.8228 -3.4560 7.3554 H 0 0 0 0 0 0 0 0 0 -1.2094 -1.8177 5.8712 H 0 0 0 0 0 0 0 0 0 0.8074 -0.2753 5.7281 H 0 0 0 0 0 0 0 0 0 0.8477 -1.6870 9.1302 H 0 0 0 0 0 0 0 0 0 -1.0286 -0.0602 7.3790 H 0 0 0 0 0 0 0 0 0 3.4494 -2.7137 3.6958 H 0 0 0 0 0 0 0 0 0 5.4923 -3.9147 4.2309 H 0 0 0 0 0 0 0 0 0 5.3484 -1.6328 5.0024 H 0 0 0 0 0 0 0 0 0 4.5290 -1.0272 7.1965 H 0 0 0 0 0 0 0 0 0 2.9879 -1.0477 5.3243 H 0 0 0 0 0 0 0 0 0 5.5850 -4.8342 6.4147 H 0 0 0 0 0 0 0 0 0 3.4409 -5.8547 2.3173 H 0 0 0 0 0 0 0 0 0 2.9438 -5.5505 4.5396 H 0 0 0 0 0 0 0 0 0 1.8823 -4.5979 3.5063 H 0 0 0 0 0 0 0 0 0 6.8205 -1.8969 6.8347 H 0 0 0 0 0 0 0 0 0 0.1800 1.2758 8.7424 H 0 0 0 0 0 0 0 0 0 3.4595 -2.7009 8.4190 H 0 0 0 0 0 0 0 0 0 -1.0496 -1.7351 10.6998 H 0 0 0 0 0 0 0 0 0 -0.4588 -0.0976 10.4495 H 0 0 0 0 0 0 0 0 0 -1.9407 -0.6377 9.6550 H 0 0 0 0 0 0 0 0 0 -0.2218 -3.4665 4.5843 H 0 0 0 0 0 0 0 0 0 -1.3570 -8.2339 5.4628 H 0 0 0 0 0 0 0 0 0 -0.2446 -9.5735 5.6000 H 0 0 0 0 0 0 0 0 0 -1.8221 -9.6640 6.3548 H 0 0 0 0 0 0 0 0 0 0.1132 -13.8991 8.2750 H 0 0 0 0 0 0 0 0 0 0.2653 -12.5587 7.1521 H 0 0 0 0 0 0 0 0 0 1.6462 -13.5637 7.4844 H 0 0 0 0 0 0 0 0 0 3.9379 -11.2056 7.8148 H 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 1 41 1 0 0 0 0 2 34 1 0 0 0 0 2 41 1 0 0 0 0 3 32 1 0 0 0 0 3 35 1 0 0 0 0 4 29 1 0 0 0 0 4 32 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 54 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 14 55 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 1 0 0 0 16 21 1 1 0 0 0 16 18 1 6 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 22 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 52 1 1 0 0 0 21 23 1 6 0 0 0 22 24 1 6 0 0 0 22 23 1 1 0 0 0 23 27 1 1 0 0 0 24 28 1 1 0 0 0 24 25 1 6 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 29 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 30 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 31 1 1 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 32 33 1 6 0 0 0 32 74 1 1 0 0 0 33 49 1 1 0 0 0 33 34 1 0 0 0 0 33 75 1 6 0 0 0 34 36 1 0 0 0 0 34 76 1 6 0 0 0 35 36 1 6 0 0 0 35 48 1 0 0 0 0 35 77 1 1 0 0 0 36 46 1 1 0 0 0 36 78 1 6 0 0 0 37 38 1 1 0 0 0 37 44 1 6 0 0 0 37 79 1 0 0 0 0 38 42 1 0 0 0 0 38 39 1 1 0 0 0 38 80 1 6 0 0 0 39 45 1 1 0 0 0 39 40 1 0 0 0 0 39 81 1 6 0 0 0 40 47 1 1 0 0 0 40 41 1 6 0 0 0 40 82 1 0 0 0 0 41 83 1 6 0 0 0 42 84 1 0 0 0 0 43 44 1 0 0 0 0 43 85 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 46 89 1 0 0 0 0 47 90 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 48 93 1 0 0 0 0 49 94 1 0 0 0 0 50 95 1 0 0 0 0 50 96 1 0 0 0 0 50 97 1 0 0 0 0 51 98 1 0 0 0 0 51 99 1 0 0 0 0 51100 1 0 0 0 0 52101 1 0 0 0 0 M END > 7525 > K $$$$ 7530 1016 111283D 7530 125132 1 1 V2000 -12.3293 -17.0731 2.3016 C 0 0 1 0 0 0 0 0 0 -11.8119 -16.8530 0.8765 C 0 0 1 0 0 0 0 0 0 -13.8569 -16.9379 2.2649 C 0 0 1 0 0 0 0 0 0 -12.2392 -15.5920 0.3871 O 0 0 0 0 0 0 0 0 0 -14.2516 -15.5605 1.7286 C 0 0 1 0 0 0 0 0 0 -13.6437 -15.4287 0.3300 C 0 0 1 0 0 0 0 0 0 -13.8735 -14.1139 -0.1336 O 0 0 0 0 0 0 0 0 0 -13.8821 -11.4536 -1.1096 C 0 0 1 0 0 0 0 0 0 -12.7735 -12.4382 -1.4823 C 0 0 1 0 0 0 0 0 0 -13.2621 -10.0514 -1.0666 C 0 0 1 0 0 0 0 0 0 -11.6755 -12.3348 -0.5923 O 0 0 0 0 0 0 0 0 0 -12.1011 -10.0165 -0.0713 C 0 0 1 0 0 0 0 0 0 -11.0788 -11.0545 -0.5392 C 0 0 1 0 0 0 0 0 0 -10.0478 -11.1199 0.4269 O 0 0 0 0 0 0 0 0 0 -9.1338 -12.1880 0.2250 C 0 0 1 0 0 0 0 0 0 -7.8010 -11.6095 -0.2693 C 0 0 1 0 0 0 0 0 0 -8.8746 -12.9383 1.5415 C 0 0 1 0 0 0 0 0 0 -9.9465 -13.7581 1.9739 O 0 0 0 0 0 0 0 0 0 -7.7339 -13.9378 1.3765 C 0 0 0 0 0 0 0 0 0 -6.8408 -12.6373 -0.4196 O 0 0 0 0 0 0 0 0 0 -6.5001 -13.2475 0.8053 C 0 0 1 0 0 0 0 0 0 -6.0468 -12.2369 1.6874 O 0 0 0 0 0 0 0 0 0 -5.0120 -12.6378 2.5650 C 0 0 1 0 0 0 0 0 0 -3.6719 -12.6579 1.8250 C 0 0 0 0 0 0 0 0 0 -4.9250 -11.6350 3.7175 C 0 0 0 0 0 0 0 0 0 -2.5259 -13.0145 2.7756 C 0 0 0 0 0 0 0 0 0 -1.3053 -10.6059 2.7100 H 0 0 0 0 0 0 0 0 0 -3.8004 -12.0462 4.6805 C 0 0 1 0 0 0 0 0 0 -2.4209 -12.0578 3.9798 C 0 0 2 0 0 0 0 0 0 -1.9953 -10.6912 3.4967 C 0 0 0 0 0 0 0 0 0 -2.4277 -9.6828 4.0011 O 0 0 0 0 0 0 0 0 0 -1.3517 -12.5593 4.9782 C 0 0 1 0 0 0 0 0 0 -3.7945 -11.1774 5.9474 C 0 0 0 0 0 0 0 0 0 0.0534 -12.6793 4.3501 C 0 0 0 0 0 0 0 0 0 -2.7245 -11.6758 6.9181 C 0 0 0 0 0 0 0 0 0 -1.3374 -11.6993 6.2622 C 0 0 1 0 0 0 0 0 0 1.1295 -13.1080 5.3519 C 0 0 0 0 0 0 0 0 0 5.6061 -13.3683 6.9430 O 0 0 0 0 0 0 0 0 0 -0.2608 -12.2520 7.2108 C 0 0 1 0 0 0 0 0 0 1.1375 -12.1876 6.5789 C 0 0 1 0 0 0 0 0 0 4.2462 -13.7845 6.9238 C 0 0 0 0 0 0 0 0 0 6.6217 -11.4914 7.7134 O 0 0 0 0 0 0 0 0 0 5.6224 -12.1431 7.5313 C 0 0 0 0 0 0 0 0 0 4.2642 -11.7023 7.9226 C 0 0 0 0 0 0 0 0 0 1.9493 -12.7349 7.7604 C 0 0 1 0 0 0 0 0 0 3.4430 -12.6881 7.5682 C 0 0 0 0 0 0 0 0 0 -0.0441 -11.5568 8.5550 C 0 0 0 0 0 0 0 0 0 1.3669 -11.9899 8.9707 C 0 0 0 0 0 0 0 0 0 -11.9282 -18.3333 2.8014 O 0 0 0 0 0 0 0 0 0 -10.2849 -16.8491 0.8286 C 0 0 0 0 0 0 0 0 0 -14.4150 -17.9403 1.4375 O 0 0 0 0 0 0 0 0 0 -9.7568 -18.1298 1.1049 O 0 0 0 0 0 0 0 0 0 -15.6615 -15.4415 1.7357 O 0 0 0 0 0 0 0 0 0 -14.9311 -11.5573 -2.0531 O 0 0 0 0 0 0 0 0 0 -13.3007 -13.8694 -1.4082 C 0 0 0 0 0 0 0 0 0 -12.7840 -9.6971 -2.3494 O 0 0 0 0 0 0 0 0 0 -11.5710 -8.7059 -0.0175 O 0 0 0 0 0 0 0 0 0 -11.0706 -13.0413 2.4407 C 0 0 0 0 0 0 0 0 0 -7.9232 -10.9474 -1.6376 C 0 0 0 0 0 0 0 0 0 -4.0623 -13.3794 5.0729 O 0 0 0 0 0 0 0 0 0 1.6220 -10.7774 6.1789 C 0 0 0 0 0 0 0 0 0 -0.5352 -13.6173 7.4607 O 0 0 0 0 0 0 0 0 0 -11.9212 -16.2944 2.9310 H 0 0 0 0 0 0 0 0 0 -12.1658 -17.6546 0.2429 H 0 0 0 0 0 0 0 0 0 -14.2391 -17.0443 3.2702 H 0 0 0 0 0 0 0 0 0 -13.8228 -14.7923 2.3550 H 0 0 0 0 0 0 0 0 0 -14.1027 -16.1565 -0.3275 H 0 0 0 0 0 0 0 0 0 -14.2499 -11.7090 -0.1251 H 0 0 0 0 0 0 0 0 0 -12.4538 -12.2389 -2.4961 H 0 0 0 0 0 0 0 0 0 -14.0163 -9.3450 -0.7496 H 0 0 0 0 0 0 0 0 0 -12.4519 -10.3084 0.9081 H 0 0 0 0 0 0 0 0 0 -10.6951 -10.7648 -1.5085 H 0 0 0 0 0 0 0 0 0 -9.4856 -12.9183 -0.4914 H 0 0 0 0 0 0 0 0 0 -7.4528 -10.8657 0.4351 H 0 0 0 0 0 0 0 0 0 -8.5989 -12.2216 2.3034 H 0 0 0 0 0 0 0 0 0 -7.5024 -14.3776 2.3346 H 0 0 0 0 0 0 0 0 0 -8.0474 -14.7135 0.6943 H 0 0 0 0 0 0 0 0 0 -5.7501 -13.9994 0.6010 H 0 0 0 0 0 0 0 0 0 -5.2183 -13.6168 2.9785 H 0 0 0 0 0 0 0 0 0 -3.7023 -13.3885 1.0307 H 0 0 0 0 0 0 0 0 0 -3.4993 -11.6865 1.3846 H 0 0 0 0 0 0 0 0 0 -4.7465 -10.6433 3.3273 H 0 0 0 0 0 0 0 0 0 -5.8706 -11.6341 4.2393 H 0 0 0 0 0 0 0 0 0 -2.6918 -14.0197 3.1386 H 0 0 0 0 0 0 0 0 0 -1.6096 -13.0100 2.2041 H 0 0 0 0 0 0 0 0 0 -1.6346 -13.5600 5.2771 H 0 0 0 0 0 0 0 0 0 -3.6111 -10.1405 5.7129 H 0 0 0 0 0 0 0 0 0 -4.7585 -11.2367 6.4308 H 0 0 0 0 0 0 0 0 0 0.0390 -13.4183 3.5628 H 0 0 0 0 0 0 0 0 0 0.3510 -11.7368 3.9162 H 0 0 0 0 0 0 0 0 0 -2.7075 -11.0258 7.7812 H 0 0 0 0 0 0 0 0 0 -3.0030 -12.6693 7.2369 H 0 0 0 0 0 0 0 0 0 -1.0887 -10.6780 6.0137 H 0 0 0 0 0 0 0 0 0 0.9241 -14.1233 5.6611 H 0 0 0 0 0 0 0 0 0 2.0941 -13.0877 4.8661 H 0 0 0 0 0 0 0 0 0 3.9284 -13.9421 5.9034 H 0 0 0 0 0 0 0 0 0 4.1342 -14.7044 7.4803 H 0 0 0 0 0 0 0 0 0 4.0157 -10.7949 8.3857 H 0 0 0 0 0 0 0 0 0 1.6920 -13.7783 7.8875 H 0 0 0 0 0 0 0 0 0 -0.0792 -10.4843 8.4265 H 0 0 0 0 0 0 0 0 0 -0.7870 -11.8551 9.2803 H 0 0 0 0 0 0 0 0 0 1.3354 -12.6477 9.8277 H 0 0 0 0 0 0 0 0 0 1.9402 -11.1089 9.2186 H 0 0 0 0 0 0 0 0 0 -12.2369 -18.4448 3.6932 H 0 0 0 0 0 0 0 0 0 -9.9855 -16.5476 -0.1649 H 0 0 0 0 0 0 0 0 0 -9.9115 -16.1232 1.5368 H 0 0 0 0 0 0 0 0 0 -15.3659 -17.8916 1.4947 H 0 0 0 0 0 0 0 0 0 -8.8070 -18.0857 1.0939 H 0 0 0 0 0 0 0 0 0 -15.8955 -14.6162 1.3184 H 0 0 0 0 0 0 0 0 0 -15.6065 -10.9175 -1.8530 H 0 0 0 0 0 0 0 0 0 -12.4655 -14.5224 -1.6232 H 0 0 0 0 0 0 0 0 0 -14.0579 -14.0106 -2.1666 H 0 0 0 0 0 0 0 0 0 -12.4849 -8.7909 -2.3244 H 0 0 0 0 0 0 0 0 0 -10.8221 -8.7106 0.5735 H 0 0 0 0 0 0 0 0 0 -10.7898 -12.3599 3.2308 H 0 0 0 0 0 0 0 0 0 -11.5390 -12.4926 1.6401 H 0 0 0 0 0 0 0 0 0 -11.7901 -13.7460 2.8273 H 0 0 0 0 0 0 0 0 0 -6.9427 -10.6296 -1.9603 H 0 0 0 0 0 0 0 0 0 -8.3158 -11.6555 -2.3525 H 0 0 0 0 0 0 0 0 0 -8.5695 -10.0844 -1.5816 H 0 0 0 0 0 0 0 0 0 -4.8872 -13.4335 5.5469 H 0 0 0 0 0 0 0 0 0 0.9655 -10.3210 5.4548 H 0 0 0 0 0 0 0 0 0 1.6805 -10.1222 7.0350 H 0 0 0 0 0 0 0 0 0 2.6063 -10.8430 5.7383 H 0 0 0 0 0 0 0 0 0 -1.3122 -13.7128 8.0001 H 0 0 0 0 0 0 0 0 0 1 49 1 6 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 63 1 0 0 0 0 2 4 1 1 0 0 0 2 50 1 0 0 0 0 2 64 1 6 0 0 0 3 51 1 6 0 0 0 3 5 1 1 0 0 0 3 65 1 0 0 0 0 4 6 1 0 0 0 0 5 53 1 0 0 0 0 5 6 1 1 0 0 0 5 66 1 0 0 0 0 6 7 1 1 0 0 0 6 67 1 6 0 0 0 7 55 1 0 0 0 0 8 54 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 1 0 0 0 8 68 1 0 0 0 0 9 11 1 0 0 0 0 9 55 1 6 0 0 0 9 69 1 1 0 0 0 10 56 1 1 0 0 0 10 12 1 0 0 0 0 10 70 1 0 0 0 0 11 13 1 0 0 0 0 12 57 1 1 0 0 0 12 13 1 6 0 0 0 12 71 1 0 0 0 0 13 14 1 0 0 0 0 13 72 1 1 0 0 0 14 15 1 0 0 0 0 15 17 1 6 0 0 0 15 16 1 1 0 0 0 15 73 1 0 0 0 0 16 20 1 6 0 0 0 16 59 1 1 0 0 0 16 74 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 17 75 1 1 0 0 0 18 58 1 0 0 0 0 19 21 1 0 0 0 0 19 76 1 0 0 0 0 19 77 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 21 78 1 6 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 1 1 0 0 0 23 79 1 6 0 0 0 24 26 1 0 0 0 0 24 80 1 0 0 0 0 24 81 1 0 0 0 0 25 28 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 26 29 1 0 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 27 30 1 0 0 0 0 28 60 1 6 0 0 0 28 29 1 1 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 1 0 0 0 30 31 2 0 0 0 0 32 36 1 0 0 0 0 32 34 1 1 0 0 0 32 86 1 6 0 0 0 33 35 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 34 37 1 0 0 0 0 34 89 1 0 0 0 0 34 90 1 0 0 0 0 35 36 1 0 0 0 0 35 91 1 0 0 0 0 35 92 1 0 0 0 0 36 39 1 1 0 0 0 36 93 1 0 0 0 0 37 40 1 0 0 0 0 37 94 1 0 0 0 0 37 95 1 0 0 0 0 38 43 1 0 0 0 0 38 41 1 0 0 0 0 39 62 1 6 0 0 0 39 40 1 1 0 0 0 39 47 1 0 0 0 0 40 45 1 1 0 0 0 40 61 1 0 0 0 0 41 46 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 46 2 0 0 0 0 44 98 1 0 0 0 0 45 46 1 1 0 0 0 45 48 1 6 0 0 0 45 99 1 0 0 0 0 47 48 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 48102 1 0 0 0 0 48103 1 0 0 0 0 49104 1 0 0 0 0 50 52 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 51107 1 0 0 0 0 52108 1 0 0 0 0 53109 1 0 0 0 0 54110 1 0 0 0 0 55111 1 0 0 0 0 55112 1 0 0 0 0 56113 1 0 0 0 0 57114 1 0 0 0 0 58115 1 0 0 0 0 58116 1 0 0 0 0 58117 1 0 0 0 0 59118 1 0 0 0 0 59119 1 0 0 0 0 59120 1 0 0 0 0 60121 1 0 0 0 0 61122 1 0 0 0 0 61123 1 0 0 0 0 61124 1 0 0 0 0 62125 1 0 0 0 0 M END > 7530 > K $$$$ 7833 1016 111283D 7833 28 30 0 1 V2000 -0.0186 1.3992 0.0064 C 0 0 0 0 0 0 0 0 0 1.1055 3.4103 0.9551 C 0 0 0 0 0 0 0 0 0 2.2786 5.3336 2.0184 C 0 0 0 0 0 0 0 0 0 0.0402 0.0802 -0.4638 C 0 0 0 0 0 0 0 0 0 1.1419 2.0145 0.4533 C 0 0 0 0 0 0 0 0 0 2.3305 4.0493 1.4928 C 0 0 0 0 0 0 0 0 0 3.4301 5.9184 2.5170 C 0 0 0 0 0 0 0 0 0 1.2258 -0.6027 -0.4797 C 0 0 0 0 0 0 0 0 0 2.3647 1.3105 0.4363 C 0 0 0 0 0 0 0 0 0 3.5505 3.3487 1.4720 C 0 0 0 0 0 0 0 0 0 4.6374 5.2261 2.4945 C 0 0 0 0 0 0 0 0 0 2.4063 0.0043 -0.0299 C 0 0 0 0 0 0 0 0 0 3.6018 1.9763 0.9136 C 0 0 0 0 0 0 0 0 0 4.6999 3.9447 1.9739 C 0 0 0 0 0 0 0 0 0 0.0650 4.0477 0.9263 O 0 0 0 0 0 0 0 0 0 4.6752 1.3985 0.8508 O 0 0 0 0 0 0 0 0 0 -1.2149 2.0715 0.0106 N 0 0 0 0 0 0 0 0 0 3.5868 -0.6948 -0.0531 N 0 0 0 0 0 0 0 0 0 1.3550 5.8669 2.0364 H 0 0 0 0 0 0 0 0 0 -0.8514 -0.3979 -0.8061 H 0 0 0 0 0 0 0 0 0 3.3936 6.9029 2.9204 H 0 0 0 0 0 0 0 0 0 1.2534 -1.6085 -0.8378 H 0 0 0 0 0 0 0 0 0 5.5167 5.6858 2.8801 H 0 0 0 0 0 0 0 0 0 5.6266 3.4168 1.9580 H 0 0 0 0 0 0 0 0 0 -1.3655 2.8148 0.6168 H 0 0 0 0 0 0 0 0 0 -1.9326 1.8123 -0.5894 H 0 0 0 0 0 0 0 0 0 3.7104 -1.4409 -0.6618 H 0 0 0 0 0 0 0 0 0 4.3180 -0.4563 0.5395 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 4 8 2 0 0 0 0 4 20 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 14 2 0 0 0 0 11 23 1 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 14 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > 7833 > K $$$$ 9706 1016 111283D 9706 27 30 0 1 V2000 -0.0618 2.2911 -0.1239 N 0 0 0 0 0 0 0 0 0 -1.5754 1.7536 -1.8158 N 0 0 0 0 0 0 0 0 0 0.7208 1.7845 -2.2625 N 0 0 0 0 0 0 0 0 0 -3.0841 1.2157 -3.5120 N 0 0 0 0 0 0 0 0 0 -0.7943 1.2460 -3.9617 N 0 0 0 0 0 0 0 0 0 1.4971 1.2774 -4.4033 N 0 0 0 0 0 0 0 0 0 1.8476 0.9653 -5.7139 C 0 0 0 0 0 0 0 0 0 2.8807 1.3202 -4.5533 C 0 0 0 0 0 0 0 0 0 -0.6376 2.5759 1.1109 C 0 0 0 0 0 0 0 0 0 0.9273 2.5969 0.8066 C 0 0 0 0 0 0 0 0 0 0.4690 1.4368 -3.5380 C 0 0 0 0 0 0 0 0 0 -0.3068 1.9413 -1.4077 C 0 0 0 0 0 0 0 0 0 -1.8111 1.4061 -3.0944 C 0 0 0 0 0 0 0 0 0 -4.4237 1.2219 -3.1322 C 0 0 0 0 0 0 0 0 0 -3.8921 0.8880 -4.5972 C 0 0 0 0 0 0 0 0 0 1.6841 -0.0736 -5.9608 H 0 0 0 0 0 0 0 0 0 1.5818 1.7384 -6.4202 H 0 0 0 0 0 0 0 0 0 3.2832 2.3219 -4.5099 H 0 0 0 0 0 0 0 0 0 3.3876 0.5110 -4.0479 H 0 0 0 0 0 0 0 0 0 -1.1816 3.5093 1.1121 H 0 0 0 0 0 0 0 0 0 -1.0604 1.7038 1.5882 H 0 0 0 0 0 0 0 0 0 1.5205 1.7384 1.0863 H 0 0 0 0 0 0 0 0 0 1.4077 3.5441 0.6088 H 0 0 0 0 0 0 0 0 0 -4.6830 0.4025 -2.4776 H 0 0 0 0 0 0 0 0 0 -4.8062 2.2131 -2.9359 H 0 0 0 0 0 0 0 0 0 -3.9307 1.6641 -5.3477 H 0 0 0 0 0 0 0 0 0 -3.8062 -0.1477 -4.8925 H 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 12 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M END > 9706 > K $$$$ 9856 1016 111283D 9856 54 53 0 1 V2000 -4.7606 0.5796 3.3567 H 0 0 0 0 0 0 0 0 0 -5.3772 0.7387 4.1933 C 0 0 0 0 0 0 0 0 0 -6.1093 1.8559 4.2827 C 0 0 0 0 0 0 0 0 0 -6.7256 2.0158 5.1189 H 0 0 0 0 0 0 0 0 0 -5.4342 -0.3004 5.2736 C 0 0 0 0 0 0 0 0 0 -6.5395 -1.2744 4.8775 C 0 0 0 0 0 0 0 0 0 -6.7154 -2.4143 5.8811 C 0 0 0 0 0 0 0 0 0 -7.8381 -3.3668 5.4634 C 0 0 0 0 0 0 0 0 0 -7.5989 -4.0378 4.1043 C 0 0 0 0 0 0 0 0 0 -8.7201 -4.9918 3.6885 C 0 0 0 0 0 0 0 0 0 -10.0760 -4.2919 3.5551 C 0 0 0 0 0 0 0 0 0 -11.1711 -5.2663 3.1326 C 0 0 0 0 0 0 0 0 0 -6.0520 2.8926 3.2009 C 0 0 0 0 0 0 0 0 0 -4.9432 3.8706 3.5799 C 0 0 0 0 0 0 0 0 0 -4.7736 4.9790 2.5438 C 0 0 0 0 0 0 0 0 0 -3.6533 5.9131 2.9959 C 0 0 0 0 0 0 0 0 0 -3.4349 7.0576 2.0052 C 0 0 0 0 0 0 0 0 0 -2.3115 8.0027 2.4401 C 0 0 0 0 0 0 0 0 0 -2.5828 8.6689 3.7924 C 0 0 0 0 0 0 0 0 0 -1.4829 9.5946 4.2112 C 0 0 0 0 0 0 0 0 0 -0.4973 9.7858 3.4859 O 0 0 0 0 0 0 0 0 0 -1.5721 10.2295 5.4032 O 0 0 0 0 0 0 0 0 0 -4.4876 -0.8193 5.3254 H 0 0 0 0 0 0 0 0 0 -5.6491 0.1487 6.2332 H 0 0 0 0 0 0 0 0 0 -7.4748 -0.7384 4.7896 H 0 0 0 0 0 0 0 0 0 -6.2751 -1.6781 3.9113 H 0 0 0 0 0 0 0 0 0 -5.7908 -2.9647 5.9759 H 0 0 0 0 0 0 0 0 0 -6.9700 -1.9910 6.8433 H 0 0 0 0 0 0 0 0 0 -7.9378 -4.1346 6.2178 H 0 0 0 0 0 0 0 0 0 -8.7525 -2.7931 5.4333 H 0 0 0 0 0 0 0 0 0 -7.5135 -3.2913 3.3290 H 0 0 0 0 0 0 0 0 0 -6.6717 -4.5922 4.1507 H 0 0 0 0 0 0 0 0 0 -8.4570 -5.4181 2.7300 H 0 0 0 0 0 0 0 0 0 -8.7912 -5.7895 4.4136 H 0 0 0 0 0 0 0 0 0 -10.3687 -3.8703 4.5051 H 0 0 0 0 0 0 0 0 0 -10.0036 -3.4975 2.8253 H 0 0 0 0 0 0 0 0 0 -10.9410 -5.6854 2.1640 H 0 0 0 0 0 0 0 0 0 -11.2543 -6.0611 3.8598 H 0 0 0 0 0 0 0 0 0 -12.1137 -4.7408 3.0810 H 0 0 0 0 0 0 0 0 0 -5.8358 2.4332 2.2460 H 0 0 0 0 0 0 0 0 0 -6.9995 3.4087 3.1411 H 0 0 0 0 0 0 0 0 0 -5.1776 4.3124 4.5390 H 0 0 0 0 0 0 0 0 0 -4.0117 3.3285 3.6661 H 0 0 0 0 0 0 0 0 0 -4.5271 4.5483 1.5836 H 0 0 0 0 0 0 0 0 0 -5.6963 5.5361 2.4609 H 0 0 0 0 0 0 0 0 0 -3.9311 6.3110 3.9611 H 0 0 0 0 0 0 0 0 0 -2.7344 5.3523 3.0967 H 0 0 0 0 0 0 0 0 0 -3.1753 6.6387 1.0426 H 0 0 0 0 0 0 0 0 0 -4.3520 7.6192 1.8995 H 0 0 0 0 0 0 0 0 0 -1.3842 7.4499 2.4922 H 0 0 0 0 0 0 0 0 0 -2.2071 8.7723 1.6883 H 0 0 0 0 0 0 0 0 0 -3.5052 9.2289 3.7422 H 0 0 0 0 0 0 0 0 0 -2.6643 7.9219 4.5668 H 0 0 0 0 0 0 0 0 0 -0.7898 10.7605 5.4943 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 5 1 0 0 0 0 2 3 2 0 0 0 0 3 13 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 22 54 1 0 0 0 0 M END > 9856 > K $$$$ 10010 1016 111283D 10010 77 80 0 1 V2000 -3.0972 -11.4244 -2.2929 N 0 0 0 0 0 0 0 0 0 -9.7742 1.3171 -10.3128 N 0 0 0 0 0 0 0 0 0 -1.0659 -10.2661 -2.0705 C 0 0 0 0 0 0 0 0 0 -0.3004 -9.1253 -2.2616 C 0 0 0 0 0 0 0 0 0 -2.3842 -10.2961 -2.5021 C 0 0 0 0 0 0 0 0 0 -2.9584 -9.1929 -3.1341 C 0 0 0 0 0 0 0 0 0 -0.8494 -8.0100 -2.8773 C 0 0 0 0 0 0 0 0 0 -4.2888 -9.2783 -3.5558 C 0 0 0 0 0 0 0 0 0 -4.3735 -11.5398 -2.7109 C 0 0 0 0 0 0 0 0 0 -4.9839 -10.4650 -3.3393 C 0 0 0 0 0 0 0 0 0 -2.1722 -8.0548 -3.3109 C 0 0 0 0 0 0 0 0 0 -11.1313 -0.5089 -8.7452 C 0 0 0 0 0 0 0 0 0 -10.3388 -0.9207 -9.8145 C 0 0 0 0 0 0 0 0 0 -11.2673 0.8609 -8.5055 C 0 0 0 0 0 0 0 0 0 -12.0773 1.3827 -7.4985 C 0 0 0 0 0 0 0 0 0 -12.1807 2.7494 -7.2789 C 0 0 0 0 0 0 0 0 0 -9.6761 0.0052 -10.6061 C 0 0 0 0 0 0 0 0 0 -10.5611 1.7572 -9.3072 C 0 0 0 0 0 0 0 0 0 -11.4548 3.6233 -8.0819 C 0 0 0 0 0 0 0 0 0 -10.6471 3.1254 -9.0942 C 0 0 0 0 0 0 0 0 0 -0.0330 -6.9238 -3.0093 O 0 0 0 0 0 0 0 0 0 -0.2803 -6.0151 -4.0662 C 0 0 0 0 0 0 0 0 0 -13.0110 3.1260 -6.2632 O 0 0 0 0 0 0 0 0 0 -13.1591 4.5045 -5.9872 C 0 0 0 0 0 0 0 0 0 -6.3495 -8.1384 -4.3673 C 0 0 0 0 0 0 0 0 0 -6.7324 -8.7299 -5.7256 C 0 0 0 0 0 0 0 0 0 -8.2238 -8.5983 -6.0469 C 0 0 0 0 0 0 0 0 0 -8.6734 -7.1361 -6.0809 C 0 0 0 0 0 0 0 0 0 -10.0486 -6.9657 -6.7284 C 0 0 0 0 0 0 0 0 0 -10.5586 -5.5257 -6.6323 C 0 0 0 0 0 0 0 0 0 -9.6775 -4.5429 -7.4077 C 0 0 0 0 0 0 0 0 0 -10.1747 -3.1014 -7.3317 C 0 0 0 0 0 0 0 0 0 -11.5163 -2.8616 -8.0251 C 0 0 0 0 0 0 0 0 0 -11.7557 -1.4444 -7.9553 N 0 0 0 0 0 0 0 0 0 -4.9251 -8.2306 -4.1743 N 0 0 0 0 0 0 0 0 0 -5.1151 -12.8237 -2.4913 C 0 0 0 0 0 0 0 0 0 -8.8528 -0.4327 -11.7800 C 0 0 0 0 0 0 0 0 0 -0.6509 -11.1083 -1.5999 H 0 0 0 0 0 0 0 0 0 0.6992 -9.1005 -1.9414 H 0 0 0 0 0 0 0 0 0 -5.9794 -10.5653 -3.6506 H 0 0 0 0 0 0 0 0 0 -2.5699 -7.2071 -3.7754 H 0 0 0 0 0 0 0 0 0 -10.2302 -1.9375 -10.0412 H 0 0 0 0 0 0 0 0 0 -12.6381 0.7599 -6.8714 H 0 0 0 0 0 0 0 0 0 -11.5095 4.6598 -7.9328 H 0 0 0 0 0 0 0 0 0 -10.0988 3.7825 -9.7027 H 0 0 0 0 0 0 0 0 0 -0.2234 -6.5151 -5.0238 H 0 0 0 0 0 0 0 0 0 -1.2402 -5.5330 -3.9587 H 0 0 0 0 0 0 0 0 0 0.4827 -5.2506 -4.0391 H 0 0 0 0 0 0 0 0 0 -13.5686 5.0226 -6.8428 H 0 0 0 0 0 0 0 0 0 -13.8428 4.6165 -5.1585 H 0 0 0 0 0 0 0 0 0 -12.2095 4.9399 -5.7101 H 0 0 0 0 0 0 0 0 0 -6.6166 -7.0915 -4.3468 H 0 0 0 0 0 0 0 0 0 -6.8970 -8.6281 -3.5742 H 0 0 0 0 0 0 0 0 0 -6.1650 -8.2270 -6.4959 H 0 0 0 0 0 0 0 0 0 -6.4674 -9.7770 -5.7457 H 0 0 0 0 0 0 0 0 0 -8.3939 -9.0437 -7.0170 H 0 0 0 0 0 0 0 0 0 -8.8073 -9.1374 -5.3137 H 0 0 0 0 0 0 0 0 0 -8.7124 -6.7554 -5.0701 H 0 0 0 0 0 0 0 0 0 -7.9489 -6.5663 -6.6442 H 0 0 0 0 0 0 0 0 0 -9.9928 -7.2551 -7.7686 H 0 0 0 0 0 0 0 0 0 -10.7568 -7.6106 -6.2282 H 0 0 0 0 0 0 0 0 0 -11.5600 -5.4997 -7.0364 H 0 0 0 0 0 0 0 0 0 -10.5992 -5.2299 -5.5931 H 0 0 0 0 0 0 0 0 0 -8.6832 -4.5521 -6.9858 H 0 0 0 0 0 0 0 0 0 -9.6159 -4.8441 -8.4437 H 0 0 0 0 0 0 0 0 0 -10.2568 -2.7986 -6.2974 H 0 0 0 0 0 0 0 0 0 -9.4287 -2.4782 -7.8028 H 0 0 0 0 0 0 0 0 0 -11.5100 -3.2274 -9.0418 H 0 0 0 0 0 0 0 0 0 -12.2980 -3.3851 -7.4926 H 0 0 0 0 0 0 0 0 0 -12.4014 -1.1607 -7.2920 H 0 0 0 0 0 0 0 0 0 -4.4042 -7.4882 -4.5146 H 0 0 0 0 0 0 0 0 0 -5.6630 -12.7631 -1.5625 H 0 0 0 0 0 0 0 0 0 -5.8049 -13.0016 -3.3034 H 0 0 0 0 0 0 0 0 0 -4.4121 -13.6416 -2.4381 H 0 0 0 0 0 0 0 0 0 -7.8564 -0.6795 -11.4449 H 0 0 0 0 0 0 0 0 0 -9.2993 -1.2976 -12.2488 H 0 0 0 0 0 0 0 0 0 -8.7985 0.3699 -12.5007 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 5 2 0 0 0 0 2 17 1 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 38 1 0 0 0 0 4 7 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 21 1 0 0 0 0 7 11 2 0 0 0 0 8 35 1 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 9 10 2 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 34 1 0 0 0 0 12 14 2 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 23 1 0 0 0 0 16 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 35 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 M END > 10010 > K $$$$ 10447 1016 111283D 10447 27 29 0 1 V2000 0.1202 4.1835 0.0683 O 0 0 0 0 0 0 0 0 0 4.7352 1.5458 0.0004 O 0 0 0 0 0 0 0 0 0 -0.0169 1.3975 0.0097 C 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 1.1829 2.1074 0.0021 C 0 0 0 0 0 0 0 0 0 1.1744 3.5805 0.0117 C 0 0 0 0 0 0 0 0 0 2.4504 4.3237 -0.0481 C 0 0 0 0 0 0 0 0 0 2.4515 5.7155 -0.0866 C 0 0 0 0 0 0 0 0 0 3.6505 6.4025 -0.1439 C 0 0 0 0 0 0 0 0 0 1.2037 -0.6862 -0.0125 C 0 0 0 0 0 0 0 0 0 2.4090 1.4077 -0.0145 C 0 0 0 0 0 0 0 0 0 3.6707 3.6257 -0.0669 C 0 0 0 0 0 0 0 0 0 4.8512 5.7157 -0.1637 C 0 0 0 0 0 0 0 0 0 2.4089 0.0089 -0.0204 C 0 0 0 0 0 0 0 0 0 3.6790 2.1482 -0.0256 C 0 0 0 0 0 0 0 0 0 4.8683 4.3330 -0.1253 C 0 0 0 0 0 0 0 0 0 3.5830 -0.6694 -0.0337 O 0 0 0 0 0 0 0 0 0 -1.1997 2.0615 0.0189 O 0 0 0 0 0 0 0 0 0 -1.1663 -0.6950 0.0093 O 0 0 0 0 0 0 0 0 0 1.5176 6.2577 -0.0720 H 0 0 0 0 0 0 0 0 0 3.6495 7.4821 -0.1737 H 0 0 0 0 0 0 0 0 0 1.2073 -1.7661 -0.0174 H 0 0 0 0 0 0 0 0 0 5.7813 6.2626 -0.2095 H 0 0 0 0 0 0 0 0 0 5.8092 3.8031 -0.1404 H 0 0 0 0 0 0 0 0 0 3.9941 -0.9077 -0.8759 H 0 0 0 0 0 0 0 0 0 -1.6173 2.2936 0.8596 H 0 0 0 0 0 0 0 0 0 -1.5903 -0.9367 -0.8255 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 18 1 0 0 0 0 4 10 2 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 17 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 M END > 10447 > K $$$$ 11779 1016 111283D 11779 28 28 1 1 V2000 1.2265 1.4160 0.0359 C 0 0 1 0 0 0 0 0 0 2.6469 0.8767 0.2172 C 0 0 0 0 0 0 0 0 0 2.1835 2.0896 1.0262 C 0 0 1 0 0 0 0 0 0 2.7423 3.4488 0.7242 C 0 0 0 0 0 0 0 0 0 3.9602 3.6018 0.5550 O 0 0 0 0 0 0 0 0 0 -0.1017 3.0240 -1.3467 C 0 0 0 0 0 0 0 0 0 2.7415 -0.4318 1.0040 C 0 0 0 0 0 0 0 0 0 3.6666 1.0743 -0.9099 C 0 0 0 0 0 0 0 0 0 0.8617 2.0939 -1.2574 C 0 0 0 0 0 0 0 0 0 1.9195 4.5212 0.6392 O 0 0 0 0 0 0 0 0 0 -0.3781 3.6509 -2.6847 C 0 0 0 0 0 0 0 0 0 -0.9219 3.4715 -0.1667 C 0 0 0 0 0 0 0 0 0 0.4556 0.8217 0.5055 H 0 0 0 0 0 0 0 0 0 1.9542 1.8905 2.0619 H 0 0 0 0 0 0 0 0 0 3.7266 -0.5180 1.4378 H 0 0 0 0 0 0 0 0 0 2.0068 -0.4642 1.7956 H 0 0 0 0 0 0 0 0 0 2.5732 -1.2642 0.3371 H 0 0 0 0 0 0 0 0 0 4.6648 1.0259 -0.5004 H 0 0 0 0 0 0 0 0 0 3.5492 0.2849 -1.6381 H 0 0 0 0 0 0 0 0 0 3.5430 2.0263 -1.4047 H 0 0 0 0 0 0 0 0 0 1.3817 1.8248 -2.1303 H 0 0 0 0 0 0 0 0 0 2.4594 5.2677 0.4076 H 0 0 0 0 0 0 0 0 0 -1.1944 4.3546 -2.6107 H 0 0 0 0 0 0 0 0 0 0.5032 4.1734 -3.0279 H 0 0 0 0 0 0 0 0 0 -0.6402 2.8853 -3.4004 H 0 0 0 0 0 0 0 0 0 -0.6550 2.9513 0.7405 H 0 0 0 0 0 0 0 0 0 -0.7730 4.5302 -0.0135 H 0 0 0 0 0 0 0 0 0 -1.9660 3.2890 -0.3743 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 9 1 6 0 0 0 1 13 1 1 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 6 0 0 0 3 14 1 1 0 0 0 4 10 1 0 0 0 0 4 5 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 9 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 M END > 11779 > K $$$$ 11897 1016 111283D 11897 22 23 0 1 V2000 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 -0.0036 5.1239 1.0300 O 0 0 0 0 0 0 0 0 0 -0.0144 1.2117 0.0087 C 0 0 0 0 0 0 0 0 0 1.2430 1.9686 0.0008 C 0 0 0 0 0 0 0 0 0 -1.3037 1.9407 0.0187 C 0 0 0 0 0 0 0 0 0 -2.4994 1.2859 -0.2409 C 0 0 0 0 0 0 0 0 0 -3.6905 1.9965 -0.2241 C 0 0 0 0 0 0 0 0 0 1.2480 3.2930 0.2664 C 0 0 0 0 0 0 0 0 0 -1.3080 3.3200 0.2964 C 0 0 0 0 0 0 0 0 0 -3.6950 3.3507 0.0492 C 0 0 0 0 0 0 0 0 0 -0.0208 4.0007 0.5689 C 0 0 0 0 0 0 0 0 0 -2.5086 4.0188 0.3103 C 0 0 0 0 0 0 0 0 0 2.5387 1.2627 -0.3057 C 0 0 0 0 0 0 0 0 0 2.4154 3.9774 0.2572 O 0 0 0 0 0 0 0 0 0 -2.5024 0.2275 -0.4554 H 0 0 0 0 0 0 0 0 0 -4.6212 1.4874 -0.4264 H 0 0 0 0 0 0 0 0 0 -4.6292 3.8927 0.0596 H 0 0 0 0 0 0 0 0 0 -2.5177 5.0775 0.5237 H 0 0 0 0 0 0 0 0 0 3.3603 1.9779 -0.2666 H 0 0 0 0 0 0 0 0 0 2.7066 0.4759 0.4298 H 0 0 0 0 0 0 0 0 0 2.4864 0.8235 -1.3020 H 0 0 0 0 0 0 0 0 0 2.4214 4.9256 0.4471 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 8 2 0 0 0 0 4 13 1 0 0 0 0 5 9 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 M END > 11897 > K $$$$ 11905 1016 111283D 11905 32 33 0 1 V2000 0.1999 2.6693 0.5222 O 0 0 0 0 0 0 0 0 0 4.3541 5.7188 -0.3705 O 0 0 0 0 0 0 0 0 0 1.1023 3.3603 0.0901 C 0 0 0 0 0 0 0 0 0 2.4031 2.7618 -0.2320 C 0 0 0 0 0 0 0 0 0 0.8956 4.8117 -0.1211 C 0 0 0 0 0 0 0 0 0 -0.3757 5.3671 -0.0871 C 0 0 0 0 0 0 0 0 0 -0.5365 6.7300 -0.2886 C 0 0 0 0 0 0 0 0 0 3.4798 3.5441 -0.4627 C 0 0 0 0 0 0 0 0 0 2.0117 5.6344 -0.3600 C 0 0 0 0 0 0 0 0 0 0.5594 7.5380 -0.5226 C 0 0 0 0 0 0 0 0 0 3.3601 5.0217 -0.3943 C 0 0 0 0 0 0 0 0 0 1.8356 6.9979 -0.5596 C 0 0 0 0 0 0 0 0 0 2.5387 1.2627 -0.3057 C 0 0 0 0 0 0 0 0 0 3.1463 0.7498 0.9745 C 0 0 0 0 0 0 0 0 0 4.6732 2.9779 -0.7569 O 0 0 0 0 0 0 0 0 0 3.3601 -0.5332 1.1301 C 0 0 0 0 0 0 0 0 0 3.9677 -1.0460 2.4103 C 0 0 0 0 0 0 0 0 0 2.9983 -1.4964 0.0290 C 0 0 0 0 0 0 0 0 0 -1.2363 4.7406 0.0951 H 0 0 0 0 0 0 0 0 0 -1.5257 7.1625 -0.2626 H 0 0 0 0 0 0 0 0 0 0.4209 8.5979 -0.6776 H 0 0 0 0 0 0 0 0 0 2.6890 7.6341 -0.7426 H 0 0 0 0 0 0 0 0 0 1.5546 0.8153 -0.4456 H 0 0 0 0 0 0 0 0 0 3.1813 0.9967 -1.1449 H 0 0 0 0 0 0 0 0 0 3.4056 1.4401 1.7636 H 0 0 0 0 0 0 0 0 0 5.4454 3.5361 -0.9224 H 0 0 0 0 0 0 0 0 0 4.1598 -0.2093 3.0820 H 0 0 0 0 0 0 0 0 0 3.2779 -1.7430 2.8862 H 0 0 0 0 0 0 0 0 0 4.9049 -1.5566 2.1887 H 0 0 0 0 0 0 0 0 0 1.9296 -1.4303 -0.1749 H 0 0 0 0 0 0 0 0 0 3.5565 -1.2439 -0.8725 H 0 0 0 0 0 0 0 0 0 3.2471 -2.5116 0.3381 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 13 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 11 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 M END > 11905 > K $$$$ 11926 1016 111283D 11926 36 39 0 2 V2000 -0.0235 1.5571 0.2758 O 0 0 0 0 0 0 0 0 0 1.3866 -0.3049 0.4831 O 0 0 0 0 0 0 0 0 0 0.0447 0.1429 0.3835 C 0 0 0 0 0 0 0 0 0 2.0763 0.8534 0.4673 C 0 0 0 0 0 0 0 0 0 1.2666 1.9538 0.3207 C 0 0 0 0 0 0 0 0 0 3.4435 1.0026 0.5854 C 0 0 0 0 0 0 0 0 0 3.9820 2.2808 0.4988 C 0 0 0 0 0 0 0 0 0 1.7841 3.2446 0.2362 C 0 0 0 0 0 0 0 0 0 3.1782 3.3836 0.1725 C 0 0 0 0 0 0 0 0 0 0.9552 4.3705 0.2177 C 0 0 0 0 0 0 0 0 0 -0.4314 4.2982 0.3361 C 0 0 0 0 0 0 0 0 0 -1.2090 5.4455 0.3830 C 0 0 0 0 0 0 0 0 0 3.6891 4.6270 -0.2152 C 0 0 0 0 0 0 0 0 0 1.5240 5.6365 0.0836 C 0 0 0 0 0 0 0 0 0 -0.6107 6.6948 0.3310 C 0 0 0 0 0 0 0 0 0 2.8807 5.7524 -0.1703 C 0 0 0 0 0 0 0 0 0 0.7686 6.7993 0.1905 C 0 0 0 0 0 0 0 0 0 1.4505 7.9826 0.1494 O 0 0 0 0 0 0 0 0 0 0.7272 9.1861 0.3299 C 0 0 0 0 0 0 0 0 0 4.9576 4.8394 -0.6651 N 0 3 0 0 0 0 0 0 0 5.4780 5.9766 -0.5992 O 0 0 0 0 0 0 0 0 0 5.7332 3.7489 -1.2487 O 0 5 0 0 0 0 0 0 0 5.4534 2.3513 0.7956 C 0 0 0 0 0 0 0 0 0 6.1396 1.3195 0.7573 O 0 0 0 0 0 0 0 0 0 6.0445 3.5246 1.1163 O 0 0 0 0 0 0 0 0 0 -0.4857 -0.1657 1.2732 H 0 0 0 0 0 0 0 0 0 -0.4311 -0.3101 -0.4765 H 0 0 0 0 0 0 0 0 0 4.0508 0.1588 0.7402 H 0 0 0 0 0 0 0 0 0 -0.9294 3.3804 0.3944 H 0 0 0 0 0 0 0 0 0 -2.2534 5.3659 0.4600 H 0 0 0 0 0 0 0 0 0 -1.2116 7.5518 0.3975 H 0 0 0 0 0 0 0 0 0 3.3014 6.7015 -0.3362 H 0 0 0 0 0 0 0 0 0 0.0382 9.3257 -0.4906 H 0 0 0 0 0 0 0 0 0 0.1872 9.1872 1.2670 H 0 0 0 0 0 0 0 0 0 1.4225 10.0128 0.3399 H 0 0 0 0 0 0 0 0 0 6.9499 3.4241 0.8380 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 23 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 20 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 36 1 0 0 0 0 M CHG 2 20 1 22 -1 M END > 11926 > K $$$$ 11930 1016 111283D 11930 40 41 0 1 V2000 -1.0342 3.1480 -8.3300 I 0 0 0 0 0 0 0 0 0 0.6612 3.2269 -3.7473 C 0 0 0 0 0 0 0 0 0 1.3125 2.4862 -4.7288 C 0 0 0 0 0 0 0 0 0 -0.4794 3.9489 -4.0817 C 0 0 0 0 0 0 0 0 0 -0.9603 3.9259 -5.3864 C 0 0 0 0 0 0 0 0 0 0.8304 2.4590 -6.0298 C 0 0 0 0 0 0 0 0 0 -0.3071 3.1821 -6.3599 C 0 0 0 0 0 0 0 0 0 -2.7714 2.8980 -2.4137 C 0 0 0 0 0 0 0 0 0 -1.8295 3.8399 -2.0142 C 0 0 0 0 0 0 0 0 0 -3.3597 2.0556 -1.4794 C 0 0 0 0 0 0 0 0 0 -3.0102 2.1539 -0.1392 C 0 0 0 0 0 0 0 0 0 -1.4816 3.9337 -0.6713 C 0 0 0 0 0 0 0 0 0 -2.0712 3.0939 0.2646 C 0 0 0 0 0 0 0 0 0 1.1089 3.2717 -2.4591 O 0 0 0 0 0 0 0 0 0 1.5162 2.0430 -1.8772 C 0 0 0 0 0 0 0 0 0 0.3874 1.0049 -1.8630 C 0 0 0 0 0 0 0 0 0 0.7789 -0.2752 -1.2704 N 0 0 0 0 0 0 0 0 0 0.9803 -0.2366 0.1758 C 0 0 0 0 0 0 0 0 0 -0.1129 -1.3662 -1.6584 C 0 0 0 0 0 0 0 0 0 -1.1911 4.7510 -3.0275 C 0 0 0 0 0 0 0 0 0 2.1768 1.9413 -4.4940 H 0 0 0 0 0 0 0 0 0 -1.8206 4.4715 -5.6420 H 0 0 0 0 0 0 0 0 0 1.3276 1.8918 -6.7606 H 0 0 0 0 0 0 0 0 0 -3.0413 2.8198 -3.4258 H 0 0 0 0 0 0 0 0 0 -4.0691 1.3445 -1.7868 H 0 0 0 0 0 0 0 0 0 -3.4555 1.5180 0.5682 H 0 0 0 0 0 0 0 0 0 -0.7700 4.6409 -0.3597 H 0 0 0 0 0 0 0 0 0 -1.8060 3.1704 1.2780 H 0 0 0 0 0 0 0 0 0 2.3822 1.6319 -2.3750 H 0 0 0 0 0 0 0 0 0 1.8003 2.2585 -0.8586 H 0 0 0 0 0 0 0 0 0 -0.4605 1.4108 -1.3319 H 0 0 0 0 0 0 0 0 0 0.0912 0.8349 -2.8882 H 0 0 0 0 0 0 0 0 0 1.3511 -1.1902 0.5245 H 0 0 0 0 0 0 0 0 0 1.7067 0.5153 0.4433 H 0 0 0 0 0 0 0 0 0 0.0469 -0.0173 0.6757 H 0 0 0 0 0 0 0 0 0 -1.1055 -1.1988 -1.2640 H 0 0 0 0 0 0 0 0 0 -0.1737 -1.4383 -2.7352 H 0 0 0 0 0 0 0 0 0 0.2580 -2.3088 -1.2812 H 0 0 0 0 0 0 0 0 0 -0.4761 5.4052 -2.5492 H 0 0 0 0 0 0 0 0 0 -1.9606 5.3647 -3.4738 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 14 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 24 1 0 0 0 0 9 20 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 13 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END > 11930 > K $$$$ 12825 1016 111283D 12825 28 30 0 1 V2000 -0.0146 1.3127 -0.0912 N 0 0 0 0 0 0 0 0 0 1.1832 -2.6039 0.2248 Br 0 0 0 0 0 0 0 0 0 -1.5732 -1.6292 1.0484 C 0 0 0 0 0 0 0 0 0 -2.7700 -2.3161 1.0511 C 0 0 0 0 0 0 0 0 0 -1.2822 -0.7455 0.0103 C 0 0 0 0 0 0 0 0 0 -3.6802 -2.1291 0.0262 C 0 0 0 0 0 0 0 0 0 -2.2029 -0.5612 -1.0195 C 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 1.2044 -0.7176 0.0929 C 0 0 0 0 0 0 0 0 0 -3.3969 -1.2536 -1.0064 C 0 0 0 0 0 0 0 0 0 2.4049 -0.0353 0.0859 C 0 0 0 0 0 0 0 0 0 2.3683 1.3752 -0.0141 C 0 0 0 0 0 0 0 0 0 1.0800 3.4300 -0.2027 C 0 0 0 0 0 0 0 0 0 1.1145 2.0275 -0.1029 C 0 0 0 0 0 0 0 0 0 2.2438 4.1356 -0.2126 C 0 0 0 0 0 0 0 0 0 3.4754 3.4907 -0.1256 C 0 0 0 0 0 0 0 0 0 3.5476 2.1337 -0.0276 C 0 0 0 0 0 0 0 0 0 3.5849 -0.6984 0.1729 O 0 0 0 0 0 0 0 0 0 -0.8651 -1.7729 1.8511 H 0 0 0 0 0 0 0 0 0 -2.9965 -3.0011 1.8549 H 0 0 0 0 0 0 0 0 0 -4.6155 -2.6691 0.0322 H 0 0 0 0 0 0 0 0 0 -1.9829 0.1224 -1.8262 H 0 0 0 0 0 0 0 0 0 -4.1110 -1.1119 -1.8041 H 0 0 0 0 0 0 0 0 0 0.1333 3.9453 -0.2706 H 0 0 0 0 0 0 0 0 0 2.2120 5.2124 -0.2895 H 0 0 0 0 0 0 0 0 0 4.3844 4.0737 -0.1356 H 0 0 0 0 0 0 0 0 0 4.5082 1.6447 0.0396 H 0 0 0 0 0 0 0 0 0 4.0341 -0.9935 -0.6310 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 2 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 5 7 2 0 0 0 0 6 10 2 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 10 23 1 0 0 0 0 11 18 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > 12825 > K $$$$ 13966 1016 111283D 13966 27 29 0 1 V2000 -0.0906 1.5003 0.0122 C 0 0 0 0 0 0 0 0 0 -2.6091 -0.4511 0.0268 C 0 0 0 0 0 0 0 0 0 1.1694 2.0886 0.0028 C 0 0 0 0 0 0 0 0 0 -0.1601 0.1150 0.0055 C 0 0 0 0 0 0 0 0 0 -1.2504 -0.7298 0.0117 C 0 0 0 0 0 0 0 0 0 -3.4935 -1.5242 0.0298 C 0 0 0 0 0 0 0 0 0 2.3234 1.3080 -0.0130 C 0 0 0 0 0 0 0 0 0 0.9780 -0.6708 -0.0102 C 0 0 0 0 0 0 0 0 0 -0.7738 -2.0281 0.0001 C 0 0 0 0 0 0 0 0 0 -3.0258 -2.8367 0.0182 C 0 0 0 0 0 0 0 0 0 2.2339 -0.0811 -0.0196 C 0 0 0 0 0 0 0 0 0 -1.6585 -3.0971 0.0031 C 0 0 0 0 0 0 0 0 0 1.1458 -2.7056 -1.2068 O 0 0 0 0 0 0 0 0 0 0.6666 -2.0782 -0.0146 S 0 0 0 0 0 0 0 0 0 1.1695 -2.7183 1.1609 O 0 0 0 0 0 0 0 0 0 -3.9102 -3.8682 0.0214 N 0 0 0 0 0 0 0 0 0 3.5431 1.9065 -0.0220 N 0 0 0 0 0 0 0 0 0 -0.9610 2.0884 0.0241 H 0 0 0 0 0 0 0 0 0 -2.9612 0.5387 0.0356 H 0 0 0 0 0 0 0 0 0 1.2516 3.1355 0.0076 H 0 0 0 0 0 0 0 0 0 -4.5279 -1.3423 0.0411 H 0 0 0 0 0 0 0 0 0 3.1010 -0.6737 -0.0315 H 0 0 0 0 0 0 0 0 0 -1.3015 -4.0849 -0.0057 H 0 0 0 0 0 0 0 0 0 -4.8660 -3.6978 0.0317 H 0 0 0 0 0 0 0 0 0 -3.5958 -4.7870 0.0134 H 0 0 0 0 0 0 0 0 0 3.6169 2.8744 -0.0175 H 0 0 0 0 0 0 0 0 0 4.3541 1.3726 -0.0331 H 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 3 1 0 0 0 0 1 18 1 0 0 0 0 2 6 2 0 0 0 0 2 5 1 0 0 0 0 2 19 1 0 0 0 0 3 7 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 7 17 1 0 0 0 0 7 11 1 0 0 0 0 8 14 1 0 0 0 0 8 11 2 0 0 0 0 9 14 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 10 12 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 14 15 2 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 M END > 13966 > K $$$$ 13973 1016 111283D 13973 33 35 0 1 V2000 0.0092 1.3592 0.0400 C 0 0 0 0 0 0 0 0 0 1.2552 3.4391 0.0085 C 0 0 0 0 0 0 0 0 0 2.5520 5.4877 -0.0235 C 0 0 0 0 0 0 0 0 0 -0.0077 -0.0321 0.0464 C 0 0 0 0 0 0 0 0 0 1.2149 2.0499 0.0169 C 0 0 0 0 0 0 0 0 0 2.4776 4.1001 -0.0152 C 0 0 0 0 0 0 0 0 0 3.7868 6.1287 -0.0453 C 0 0 0 0 0 0 0 0 0 1.1930 -0.7400 0.0346 C 0 0 0 0 0 0 0 0 0 2.4117 1.3402 0.0020 C 0 0 0 0 0 0 0 0 0 3.6497 3.3503 -0.0305 C 0 0 0 0 0 0 0 0 0 4.9590 5.3747 -0.0636 C 0 0 0 0 0 0 0 0 0 2.3972 -0.0467 0.0112 C 0 0 0 0 0 0 0 0 0 4.8816 3.9872 -0.0551 C 0 0 0 0 0 0 0 0 0 3.5925 1.9991 -0.0216 N 0 0 0 0 0 0 0 0 0 6.1909 5.9557 -0.0897 N 0 0 0 0 0 0 0 0 0 3.8313 7.6330 -0.0491 C 0 0 0 0 0 0 0 0 0 1.2284 -2.1018 0.0448 N 0 0 0 0 0 0 0 0 0 -1.3309 -0.7484 0.0667 C 0 0 0 0 0 0 0 0 0 -0.8961 1.8923 0.0522 H 0 0 0 0 0 0 0 0 0 0.3606 3.9903 0.0198 H 0 0 0 0 0 0 0 0 0 1.6686 6.0567 -0.0130 H 0 0 0 0 0 0 0 0 0 3.3056 -0.5721 0.0006 H 0 0 0 0 0 0 0 0 0 5.7594 3.4121 -0.0673 H 0 0 0 0 0 0 0 0 0 6.9919 5.4071 -0.0950 H 0 0 0 0 0 0 0 0 0 6.2893 6.9199 -0.1035 H 0 0 0 0 0 0 0 0 0 4.4503 7.9829 0.7641 H 0 0 0 0 0 0 0 0 0 4.2459 7.9745 -0.9863 H 0 0 0 0 0 0 0 0 0 2.8421 8.0513 0.0688 H 0 0 0 0 0 0 0 0 0 2.0786 -2.5704 0.0293 H 0 0 0 0 0 0 0 0 0 0.4118 -2.6235 0.0680 H 0 0 0 0 0 0 0 0 0 -1.3803 -1.4494 -0.7537 H 0 0 0 0 0 0 0 0 0 -1.4322 -1.2829 1.0000 H 0 0 0 0 0 0 0 0 0 -2.1515 -0.0519 -0.0281 H 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 19 1 0 0 0 0 2 6 2 0 0 0 0 2 5 1 0 0 0 0 2 20 1 0 0 0 0 3 7 2 0 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 12 2 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 14 2 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END > 13973 > K $$$$ 14229 1016 111283D 14229 58 60 1 1 V2000 -3.0431 -6.5333 -3.4550 Cl 0 0 0 0 0 0 0 0 0 -1.0965 -8.4372 0.8440 N 0 0 0 0 0 0 0 0 0 -0.2262 -10.7304 -0.3870 C 0 0 0 0 0 0 0 0 0 -0.0622 -10.5793 0.9907 C 0 0 0 0 0 0 0 0 0 0.5185 -11.5558 1.7966 C 0 0 0 0 0 0 0 0 0 0.6875 -11.3636 3.1630 C 0 0 0 0 0 0 0 0 0 -0.9000 -9.7590 -1.1199 C 0 0 0 0 0 0 0 0 0 -1.1541 -9.9225 -2.4787 C 0 0 0 0 0 0 0 0 0 -1.8169 -8.9347 -3.1924 C 0 0 0 0 0 0 0 0 0 0.2547 -10.1710 3.7356 C 0 0 0 0 0 0 0 0 0 -0.5034 -9.3995 1.5861 C 0 0 0 0 0 0 0 0 0 -1.3240 -8.5991 -0.4786 C 0 0 0 0 0 0 0 0 0 -2.2250 -7.7736 -2.5510 C 0 0 0 0 0 0 0 0 0 -0.3409 -9.1944 2.9493 C 0 0 0 0 0 0 0 0 0 -1.9797 -7.6066 -1.1944 C 0 0 0 0 0 0 0 0 0 0.2512 -11.8026 -1.0812 N 0 0 0 0 0 0 0 0 0 1.6603 -12.0746 -1.1382 C 0 0 1 0 0 0 0 0 0 1.9362 -13.5756 -1.2185 C 0 0 0 0 0 0 0 0 0 2.1058 -11.3088 -2.3854 C 0 0 0 0 0 0 0 0 0 3.6156 -11.3153 -2.6146 C 0 0 0 0 0 0 0 0 0 3.9465 -10.4391 -3.8246 C 0 0 0 0 0 0 0 0 0 5.3634 -10.3627 -4.1807 N 0 0 0 0 0 0 0 0 0 6.1472 -11.5986 -4.1675 C 0 0 0 0 0 0 0 0 0 5.6211 -12.6324 -5.1640 C 0 0 0 0 0 0 0 0 0 5.6299 -9.4743 -5.3139 C 0 0 0 0 0 0 0 0 0 6.5389 -8.3301 -4.8787 C 0 0 0 0 0 0 0 0 0 1.2787 -12.3837 3.8533 O 0 0 0 0 0 0 0 0 0 1.5095 -12.2268 5.2414 C 0 0 0 0 0 0 0 0 0 0.8401 -12.4637 1.3816 H 0 0 0 0 0 0 0 0 0 -0.8494 -10.7935 -2.9801 H 0 0 0 0 0 0 0 0 0 -2.0078 -9.0678 -4.2165 H 0 0 0 0 0 0 0 0 0 0.3724 -9.9973 4.7636 H 0 0 0 0 0 0 0 0 0 -0.6702 -8.2974 3.3850 H 0 0 0 0 0 0 0 0 0 -2.2897 -6.7298 -0.7084 H 0 0 0 0 0 0 0 0 0 -0.3699 -12.3776 -1.5594 H 0 0 0 0 0 0 0 0 0 2.1804 -11.6668 -0.2822 H 0 0 0 0 0 0 0 0 0 2.9985 -13.7502 -1.3038 H 0 0 0 0 0 0 0 0 0 1.5780 -14.0561 -0.3200 H 0 0 0 0 0 0 0 0 0 1.4347 -14.0037 -2.0740 H 0 0 0 0 0 0 0 0 0 1.6063 -11.7226 -3.2506 H 0 0 0 0 0 0 0 0 0 1.7894 -10.2810 -2.2723 H 0 0 0 0 0 0 0 0 0 4.1235 -10.9334 -1.7407 H 0 0 0 0 0 0 0 0 0 3.9304 -12.3309 -2.7998 H 0 0 0 0 0 0 0 0 0 3.3956 -10.8106 -4.6774 H 0 0 0 0 0 0 0 0 0 3.6028 -9.4360 -3.6105 H 0 0 0 0 0 0 0 0 0 7.1784 -11.3754 -4.4026 H 0 0 0 0 0 0 0 0 0 6.1313 -12.0286 -3.1763 H 0 0 0 0 0 0 0 0 0 4.5955 -12.8819 -4.9371 H 0 0 0 0 0 0 0 0 0 5.6712 -12.2396 -6.1682 H 0 0 0 0 0 0 0 0 0 6.2184 -13.5299 -5.1053 H 0 0 0 0 0 0 0 0 0 6.1085 -10.0066 -6.1234 H 0 0 0 0 0 0 0 0 0 4.7166 -9.0427 -5.6994 H 0 0 0 0 0 0 0 0 0 7.4739 -8.7221 -4.5066 H 0 0 0 0 0 0 0 0 0 6.7331 -7.6875 -5.7253 H 0 0 0 0 0 0 0 0 0 6.0558 -7.7565 -4.1013 H 0 0 0 0 0 0 0 0 0 0.5765 -12.1041 5.7730 H 0 0 0 0 0 0 0 0 0 1.9985 -13.1153 5.6140 H 0 0 0 0 0 0 0 0 0 2.1544 -11.3802 5.4307 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 11 2 0 0 0 0 3 16 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 27 1 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 14 2 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 6 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END > 14229 > K $$$$ 14574 1016 111283D 14574 48 50 0 1 V2000 0.5484 -5.6213 2.1245 O 0 0 0 0 0 0 0 0 0 2.9008 -6.7577 5.4364 S 0 0 0 0 0 0 0 0 0 2.9512 -4.4321 2.1466 C 0 0 0 0 0 0 0 0 0 4.2333 -3.8869 2.1810 C 0 0 0 0 0 0 0 0 0 2.5560 -5.3228 3.1528 C 0 0 0 0 0 0 0 0 0 1.2032 -5.9049 3.0944 C 0 0 0 0 0 0 0 0 0 0.5508 -6.7925 4.0759 C 0 0 0 0 0 0 0 0 0 -0.7755 -7.1660 3.8605 C 0 0 0 0 0 0 0 0 0 -1.4051 -8.0008 4.7670 C 0 0 0 0 0 0 0 0 0 5.1192 -4.2130 3.2010 C 0 0 0 0 0 0 0 0 0 3.4520 -5.6344 4.1725 C 0 0 0 0 0 0 0 0 0 1.2144 -7.2671 5.2041 C 0 0 0 0 0 0 0 0 0 -0.7347 -8.4728 5.8889 C 0 0 0 0 0 0 0 0 0 4.7310 -5.0902 4.2036 C 0 0 0 0 0 0 0 0 0 0.5855 -8.1082 6.1172 C 0 0 0 0 0 0 0 0 0 2.0953 -4.0858 1.1161 N 0 0 0 0 0 0 0 0 0 2.4772 -4.3086 -0.2732 C 0 0 0 0 0 0 0 0 0 2.8018 -5.7916 -0.4826 C 0 0 0 0 0 0 0 0 0 4.1354 -6.0870 0.0535 N 0 0 0 0 0 0 0 0 0 4.2285 -7.5439 0.1897 C 0 0 0 0 0 0 0 0 0 3.6512 -7.9740 1.5396 C 0 0 0 0 0 0 0 0 0 5.1059 -5.6889 -0.9710 C 0 0 0 0 0 0 0 0 0 6.4764 -5.4728 -0.3261 C 0 0 0 0 0 0 0 0 0 5.6863 -5.4449 5.3106 C 0 0 0 0 0 0 0 0 0 4.5407 -3.2076 1.4149 H 0 0 0 0 0 0 0 0 0 -1.3190 -6.8193 3.0060 H 0 0 0 0 0 0 0 0 0 -2.4197 -8.2832 4.5974 H 0 0 0 0 0 0 0 0 0 6.1010 -3.7876 3.2121 H 0 0 0 0 0 0 0 0 0 -1.2376 -9.1185 6.5779 H 0 0 0 0 0 0 0 0 0 1.1063 -8.4684 6.9793 H 0 0 0 0 0 0 0 0 0 1.2241 -3.6964 1.3221 H 0 0 0 0 0 0 0 0 0 1.6593 -4.0235 -0.9336 H 0 0 0 0 0 0 0 0 0 3.3563 -3.7116 -0.5099 H 0 0 0 0 0 0 0 0 0 2.0591 -6.3995 0.0299 H 0 0 0 0 0 0 0 0 0 2.7831 -6.0209 -1.5478 H 0 0 0 0 0 0 0 0 0 3.6643 -8.0178 -0.6138 H 0 0 0 0 0 0 0 0 0 5.2707 -7.8504 0.1267 H 0 0 0 0 0 0 0 0 0 3.6305 -9.0603 1.5957 H 0 0 0 0 0 0 0 0 0 4.2737 -7.5805 2.3407 H 0 0 0 0 0 0 0 0 0 2.6399 -7.5862 1.6419 H 0 0 0 0 0 0 0 0 0 5.1786 -6.4746 -1.7230 H 0 0 0 0 0 0 0 0 0 4.7792 -4.7660 -1.4457 H 0 0 0 0 0 0 0 0 0 6.3903 -4.7321 0.4662 H 0 0 0 0 0 0 0 0 0 6.8327 -6.4120 0.0924 H 0 0 0 0 0 0 0 0 0 7.1795 -5.1208 -1.0780 H 0 0 0 0 0 0 0 0 0 5.5666 -4.7409 6.1321 H 0 0 0 0 0 0 0 0 0 5.4758 -6.4527 5.6632 H 0 0 0 0 0 0 0 0 0 6.7072 -5.3972 4.9375 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 16 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 4 10 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 9 27 1 0 0 0 0 10 14 2 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 24 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 M END > 14574 > K $$$$ 14974 1016 111283D 14974 56 60 1 1 V2000 -0.0463 1.3656 -0.1741 O 0 0 0 0 0 0 0 0 0 4.4134 -0.2382 0.4100 O 0 0 0 0 0 0 0 0 0 5.6058 -1.2455 -1.1531 O 0 0 0 0 0 0 0 0 0 0.0403 -0.5748 -1.5904 C 0 0 1 0 0 0 0 0 0 0.0236 -0.0498 -0.1437 C 0 0 1 0 0 0 0 0 0 1.0914 0.2025 -2.3962 C 0 0 1 0 0 0 0 0 0 2.4259 0.3485 -1.6291 C 0 0 2 0 0 0 0 0 0 1.3404 -0.3995 0.5644 C 0 0 1 0 0 0 0 0 0 3.3976 -0.8255 -1.8159 C 0 0 1 0 0 0 0 0 0 2.1868 0.6739 -0.1348 C 0 0 2 0 0 0 0 0 0 1.2616 1.8942 -0.0605 C 0 0 0 0 0 0 0 0 0 1.3544 -0.3987 2.1216 C 0 0 1 0 0 0 0 0 0 1.0050 -1.8211 2.6072 C 0 0 1 0 0 0 0 0 0 1.0464 -1.9741 4.1393 C 0 0 1 0 0 0 0 0 0 4.5394 -0.7776 -0.8324 C 0 0 0 0 0 0 0 0 0 3.5518 0.8782 0.5350 C 0 0 1 0 0 0 0 0 0 2.7929 -0.1774 2.6483 C 0 0 1 0 0 0 0 0 0 2.0931 -1.1309 4.8214 C 0 0 0 0 0 0 0 0 0 3.4418 1.0741 2.0465 C 0 0 0 0 0 0 0 0 0 2.8911 -0.2808 4.1556 C 0 0 0 0 0 0 0 0 0 -0.1936 -1.6062 4.7046 O 0 0 0 0 0 0 0 0 0 -0.2316 -2.2346 2.0689 O 0 0 0 0 0 0 0 0 0 3.8758 0.5527 4.9331 C 0 0 0 0 0 0 0 0 0 0.3615 0.5968 2.7582 C 0 0 0 0 0 0 0 0 0 -1.1441 -0.5017 0.4895 O 0 0 0 0 0 0 0 0 0 0.2858 -1.9661 -1.6334 O 0 0 0 0 0 0 0 0 0 1.2239 -0.3369 -3.8220 C 0 0 0 0 0 0 0 0 0 2.7030 -2.0492 -1.7053 O 0 0 0 0 0 0 0 0 0 -0.9367 -0.3724 -2.0066 H 0 0 0 0 0 0 0 0 0 0.6884 1.2002 -2.5055 H 0 0 0 0 0 0 0 0 0 2.9319 1.2027 -2.0597 H 0 0 0 0 0 0 0 0 0 1.6828 -1.3735 0.2460 H 0 0 0 0 0 0 0 0 0 3.8205 -0.7633 -2.8088 H 0 0 0 0 0 0 0 0 0 1.4617 2.6035 -0.8512 H 0 0 0 0 0 0 0 0 0 1.3571 2.4335 0.8662 H 0 0 0 0 0 0 0 0 0 1.7562 -2.4925 2.2116 H 0 0 0 0 0 0 0 0 0 1.2300 -3.0174 4.3570 H 0 0 0 0 0 0 0 0 0 4.0364 1.7457 0.1064 H 0 0 0 0 0 0 0 0 0 3.4012 -1.0000 2.2959 H 0 0 0 0 0 0 0 0 0 2.1891 -1.2159 5.8637 H 0 0 0 0 0 0 0 0 0 4.4481 1.1834 2.4245 H 0 0 0 0 0 0 0 0 0 2.8847 1.9629 2.3001 H 0 0 0 0 0 0 0 0 0 -0.2376 -1.9083 5.6052 H 0 0 0 0 0 0 0 0 0 -0.4567 -3.0985 2.3925 H 0 0 0 0 0 0 0 0 0 3.7789 0.3823 5.9960 H 0 0 0 0 0 0 0 0 0 4.8830 0.3045 4.6325 H 0 0 0 0 0 0 0 0 0 3.6923 1.6001 4.7423 H 0 0 0 0 0 0 0 0 0 0.3777 0.5367 3.8349 H 0 0 0 0 0 0 0 0 0 0.5863 1.6179 2.5104 H 0 0 0 0 0 0 0 0 0 -0.6466 0.3759 2.4451 H 0 0 0 0 0 0 0 0 0 -1.8281 0.1273 0.3000 H 0 0 0 0 0 0 0 0 0 -0.0805 -2.3337 -2.4294 H 0 0 0 0 0 0 0 0 0 0.2577 -0.3220 -4.3062 H 0 0 0 0 0 0 0 0 0 1.9068 0.2790 -4.3886 H 0 0 0 0 0 0 0 0 0 1.5884 -1.3534 -3.8060 H 0 0 0 0 0 0 0 0 0 3.3104 -2.7758 -1.8090 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 15 2 0 0 0 0 4 26 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 6 0 0 0 4 29 1 0 0 0 0 5 25 1 1 0 0 0 5 8 1 0 0 0 0 6 7 1 1 0 0 0 6 27 1 6 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 1 0 0 0 7 31 1 6 0 0 0 8 10 1 6 0 0 0 8 12 1 1 0 0 0 8 32 1 0 0 0 0 9 28 1 0 0 0 0 9 15 1 1 0 0 0 9 33 1 6 0 0 0 10 16 1 1 0 0 0 10 11 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 1 0 0 0 13 22 1 6 0 0 0 13 14 1 1 0 0 0 13 36 1 0 0 0 0 14 21 1 0 0 0 0 14 18 1 1 0 0 0 14 37 1 0 0 0 0 16 19 1 1 0 0 0 16 38 1 6 0 0 0 17 20 1 1 0 0 0 17 19 1 6 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > 14974 > K $$$$ 14975 1016 111283D 14975 71 75 1 1 V2000 2.6342 -5.6616 1.6717 H 0 0 0 0 0 0 0 0 0 4.1412 -3.4827 2.2398 H 0 0 0 0 0 0 0 0 0 5.7370 -6.2788 0.0380 H 0 0 0 0 0 0 0 0 0 6.9569 -4.4902 3.5478 O 0 0 0 0 0 0 0 0 0 6.9385 -4.1591 -0.0311 H 0 0 0 0 0 0 0 0 0 3.9714 -5.2579 -0.0802 O 0 0 0 0 0 0 0 0 0 3.3007 -3.6455 -1.4021 O 0 0 0 0 0 0 0 0 0 5.8359 -2.4503 -1.2667 O 0 0 0 0 0 0 0 0 0 5.0436 -1.5682 -1.9328 C 0 0 0 0 0 0 0 0 0 4.3217 -0.8267 -1.3077 O 0 0 0 0 0 0 0 0 0 5.0643 -1.5113 -3.4397 C 0 0 2 0 0 0 0 0 0 6.3738 -2.2793 2.7690 C 0 0 1 0 0 0 0 0 0 5.8938 -3.5543 3.4928 C 0 0 1 0 0 0 0 0 0 7.1193 -2.6767 1.4880 C 0 0 1 0 0 0 0 0 0 6.2769 -3.6892 0.6844 C 0 0 1 0 0 0 0 0 0 4.7812 -4.2326 2.6804 C 0 0 1 0 0 0 0 0 0 5.7118 -4.7995 1.5994 C 0 0 2 0 0 0 0 0 0 6.8611 -5.3670 2.4394 C 0 0 0 0 0 0 0 0 0 5.1783 -3.0176 -0.1463 C 0 0 2 0 0 0 0 0 0 3.8412 -5.2488 3.3917 C 0 0 1 0 0 0 0 0 0 2.6138 -4.4812 3.9250 C 0 0 1 0 0 0 0 0 0 1.5599 -5.3836 4.5842 C 0 0 2 0 0 0 0 0 0 4.1064 -3.9942 -0.5725 C 0 0 0 0 0 0 0 0 0 5.0123 -5.8190 0.6967 C 0 0 1 0 0 0 0 0 0 3.2326 -6.2359 2.3666 C 0 0 1 0 0 0 0 0 0 1.4528 -6.7671 3.9938 C 0 0 0 0 0 0 0 0 0 4.3055 -6.9076 1.5026 C 0 0 0 0 0 0 0 0 0 2.2327 -7.1875 2.9851 C 0 0 0 0 0 0 0 0 0 0.3039 -4.7430 4.5071 O 0 0 0 0 0 0 0 0 0 3.0247 -3.4915 4.8411 O 0 0 0 0 0 0 0 0 0 2.0902 -8.6010 2.4836 C 0 0 0 0 0 0 0 0 0 5.5542 -3.2351 4.8161 O 0 0 0 0 0 0 0 0 0 4.5093 -5.9836 4.5714 C 0 0 0 0 0 0 0 0 0 5.2828 -1.4496 2.4183 O 0 0 0 0 0 0 0 0 0 7.5984 -1.4730 0.6733 C 0 0 0 0 0 0 0 0 0 5.5727 -2.6964 -4.0221 O 0 0 0 0 0 0 0 0 0 6.0052 -0.3794 -3.8526 C 0 0 0 0 0 0 0 0 0 3.6270 -1.2804 -3.9243 C 0 0 0 0 0 0 0 0 0 3.4817 -1.3024 -5.4449 C 0 0 0 0 0 0 0 0 0 7.0510 -1.7657 3.4377 H 0 0 0 0 0 0 0 0 0 8.0253 -3.1753 1.8020 H 0 0 0 0 0 0 0 0 0 7.7868 -5.3988 1.8821 H 0 0 0 0 0 0 0 0 0 6.6750 -6.3701 2.7828 H 0 0 0 0 0 0 0 0 0 4.6844 -2.2633 0.4485 H 0 0 0 0 0 0 0 0 0 2.1249 -3.9961 3.0893 H 0 0 0 0 0 0 0 0 0 1.8472 -5.4930 5.6209 H 0 0 0 0 0 0 0 0 0 0.7398 -7.4226 4.3997 H 0 0 0 0 0 0 0 0 0 3.8409 -7.5770 0.7934 H 0 0 0 0 0 0 0 0 0 4.9935 -7.4756 2.1098 H 0 0 0 0 0 0 0 0 0 -0.3257 -5.2194 5.0385 H 0 0 0 0 0 0 0 0 0 2.2960 -2.9017 5.0063 H 0 0 0 0 0 0 0 0 0 1.3794 -9.1590 3.0760 H 0 0 0 0 0 0 0 0 0 1.7533 -8.5897 1.4575 H 0 0 0 0 0 0 0 0 0 3.0448 -9.1041 2.5398 H 0 0 0 0 0 0 0 0 0 6.3466 -3.3085 5.3337 H 0 0 0 0 0 0 0 0 0 3.8163 -6.6395 5.0740 H 0 0 0 0 0 0 0 0 0 5.3367 -6.5936 4.2577 H 0 0 0 0 0 0 0 0 0 4.8599 -5.2712 5.3012 H 0 0 0 0 0 0 0 0 0 5.5661 -0.5406 2.3911 H 0 0 0 0 0 0 0 0 0 8.2691 -0.8750 1.2727 H 0 0 0 0 0 0 0 0 0 8.1281 -1.8165 -0.2039 H 0 0 0 0 0 0 0 0 0 6.7650 -0.8606 0.3627 H 0 0 0 0 0 0 0 0 0 5.0663 -3.4417 -3.7111 H 0 0 0 0 0 0 0 0 0 5.6462 0.5665 -3.4734 H 0 0 0 0 0 0 0 0 0 6.9924 -0.5686 -3.4562 H 0 0 0 0 0 0 0 0 0 6.0735 -0.3309 -4.9289 H 0 0 0 0 0 0 0 0 0 3.0022 -2.0671 -3.5251 H 0 0 0 0 0 0 0 0 0 3.2651 -0.3347 -3.5456 H 0 0 0 0 0 0 0 0 0 2.4409 -1.1684 -5.7012 H 0 0 0 0 0 0 0 0 0 4.0577 -0.5068 -5.8934 H 0 0 0 0 0 0 0 0 0 3.8203 -2.2525 -5.8322 H 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 3 24 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 15 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 36 1 0 0 0 0 11 38 1 6 0 0 0 11 37 1 1 0 0 0 12 34 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 6 0 0 0 12 40 1 0 0 0 0 13 32 1 0 0 0 0 13 16 1 1 0 0 0 14 15 1 1 0 0 0 14 35 1 6 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 17 1 1 0 0 0 16 17 1 6 0 0 0 16 20 1 1 0 0 0 17 24 1 1 0 0 0 17 18 1 6 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 23 1 1 0 0 0 19 44 1 6 0 0 0 20 21 1 0 0 0 0 20 25 1 1 0 0 0 20 33 1 0 0 0 0 21 30 1 6 0 0 0 21 22 1 1 0 0 0 21 45 1 0 0 0 0 22 29 1 0 0 0 0 22 26 1 1 0 0 0 22 46 1 0 0 0 0 24 27 1 1 0 0 0 25 28 1 1 0 0 0 25 27 1 6 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 31 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 M END > 14975 > K $$$$ 15623 1016 111283D 15623 42 43 1 1 V2000 0.2816 4.8945 4.6723 O 0 0 0 0 0 0 0 0 0 -0.6656 6.7184 5.3295 O 0 0 0 0 0 0 0 0 0 0.7893 6.1179 5.7925 Sb 0 0 0 0 0 0 0 0 0 1.3469 6.9205 8.4512 C 0 0 0 0 0 0 0 0 0 1.3066 5.8523 7.5471 C 0 0 0 0 0 0 0 0 0 1.7779 6.7376 9.7597 C 0 0 0 0 0 0 0 0 0 2.1768 5.4835 10.2004 C 0 0 0 0 0 0 0 0 0 1.6737 4.5891 8.0194 C 0 0 0 0 0 0 0 0 0 2.1110 4.4093 9.3251 C 0 0 0 0 0 0 0 0 0 -1.7201 4.7554 3.3784 C 0 0 1 0 0 0 0 0 0 -2.3203 4.9154 2.0751 O 0 0 0 0 0 0 0 0 0 -1.7254 3.3326 3.9602 C 0 0 1 0 0 0 0 0 0 -3.1009 2.8327 4.0135 O 0 0 0 0 0 0 0 0 0 -0.3550 5.4359 3.5372 C 0 0 1 0 0 0 0 0 0 -0.5031 6.8782 3.9132 C 0 0 1 0 0 0 0 0 0 -0.6304 2.7143 3.0944 C 0 0 0 0 0 0 0 0 0 0.0045 1.6877 3.3818 O 0 0 0 0 0 0 0 0 0 -0.2481 3.2327 1.8851 O 0 0 0 0 0 0 0 0 0 -1.6400 7.6031 3.1609 C 0 0 0 0 0 0 0 0 0 -1.3669 9.0026 3.0489 O 0 0 0 0 0 0 0 0 0 0.1011 4.6458 5.7099 O 0 0 0 0 0 0 0 0 0 1.5259 5.2137 4.6842 O 0 0 0 0 0 0 0 0 0 2.6728 5.2764 11.6028 C 0 0 0 0 0 0 0 0 0 1.0557 7.8967 8.1786 H 0 0 0 0 0 0 0 0 0 1.8044 7.5535 10.4231 H 0 0 0 0 0 0 0 0 0 1.6276 3.7370 7.3974 H 0 0 0 0 0 0 0 0 0 2.3950 3.4514 9.6524 H 0 0 0 0 0 0 0 0 0 -2.3722 5.2333 4.0941 H 0 0 0 0 0 0 0 0 0 -1.7227 4.4213 1.4674 H 0 0 0 0 0 0 0 0 0 -1.3086 3.3423 4.9532 H 0 0 0 0 0 0 0 0 0 -3.5583 3.2077 3.2449 H 0 0 0 0 0 0 0 0 0 0.2472 5.3122 2.6490 H 0 0 0 0 0 0 0 0 0 0.3380 7.4456 3.5101 H 0 0 0 0 0 0 0 0 0 0.6511 2.9053 1.9963 H 0 0 0 0 0 0 0 0 0 -1.7312 7.1694 2.1717 H 0 0 0 0 0 0 0 0 0 -2.5553 7.4093 3.7047 H 0 0 0 0 0 0 0 0 0 -2.1553 9.4510 2.7325 H 0 0 0 0 0 0 0 0 0 -0.5852 5.1413 6.1320 H 0 0 0 0 0 0 0 0 0 1.8025 4.6147 5.3678 H 0 0 0 0 0 0 0 0 0 1.9403 4.7147 12.1646 H 0 0 0 0 0 0 0 0 0 3.5994 4.7207 11.5834 H 0 0 0 0 0 0 0 0 0 2.8468 6.2200 12.0993 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 23 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 6 0 0 0 10 12 1 0 0 0 0 10 28 1 1 0 0 0 11 29 1 0 0 0 0 12 13 1 6 0 0 0 12 16 1 0 0 0 0 12 30 1 1 0 0 0 13 31 1 0 0 0 0 14 15 1 1 0 0 0 14 32 1 6 0 0 0 15 19 1 1 0 0 0 15 33 1 6 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > 15623 > K $$$$ 18804 1016 111283D 18804 24 24 0 1 V2000 0.8634 3.5445 0.0136 O 0 0 0 0 0 0 0 0 0 -0.0812 1.4246 0.0116 C 0 0 0 0 0 0 0 0 0 1.0994 2.3589 0.0052 C 0 0 0 0 0 0 0 0 0 -0.0594 0.0871 0.0044 C 0 0 0 0 0 0 0 0 0 1.1073 -0.8681 -0.0120 C 0 0 0 0 0 0 0 0 0 2.5492 1.9956 -0.0109 C 0 0 0 0 0 0 0 0 0 2.4159 -0.5651 -0.0229 C 0 0 0 0 0 0 0 0 0 3.0945 0.7738 -0.0225 C 0 0 0 0 0 0 0 0 0 -1.3396 1.9452 0.0268 O 0 0 0 0 0 0 0 0 0 0.7484 -2.3400 -0.0164 C 0 0 0 0 0 0 0 0 0 -0.0143 -2.7290 1.2525 C 0 0 0 0 0 0 0 0 0 -0.0381 -2.7154 -1.2748 C 0 0 0 0 0 0 0 0 0 -1.0118 -0.3541 0.0111 H 0 0 0 0 0 0 0 0 0 3.2160 2.8071 -0.0132 H 0 0 0 0 0 0 0 0 0 3.0828 -1.3774 -0.0336 H 0 0 0 0 0 0 0 0 0 4.1452 0.7452 -0.0327 H 0 0 0 0 0 0 0 0 0 -1.2991 2.8971 0.0322 H 0 0 0 0 0 0 0 0 0 1.6455 -2.9438 -0.0280 H 0 0 0 0 0 0 0 0 0 -0.2077 -3.7920 1.2510 H 0 0 0 0 0 0 0 0 0 0.5799 -2.4860 2.1215 H 0 0 0 0 0 0 0 0 0 -0.9569 -2.2052 1.3136 H 0 0 0 0 0 0 0 0 0 -0.9814 -2.1907 -1.3128 H 0 0 0 0 0 0 0 0 0 0.5399 -2.4634 -2.1522 H 0 0 0 0 0 0 0 0 0 -0.2318 -3.7783 -1.2810 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > 18804 > K $$$$ 18805 1016 111283D 18805 24 24 0 1 V2000 -0.0963 1.4283 0.0117 C 0 0 0 0 0 0 0 0 0 0.9346 2.2817 0.0060 C 0 0 0 0 0 0 0 0 0 2.4143 1.9945 -0.0109 C 0 0 0 0 0 0 0 0 0 -0.0718 -0.0664 0.0033 C 0 0 0 0 0 0 0 0 0 -1.1561 -0.6009 0.0114 O 0 0 0 0 0 0 0 0 0 3.0142 0.7928 -0.0233 C 0 0 0 0 0 0 0 0 0 1.1353 -0.9650 -0.0137 C 0 0 0 0 0 0 0 0 0 2.4179 -0.5858 -0.0247 C 0 0 0 0 0 0 0 0 0 0.9605 -2.3156 -0.0193 O 0 0 0 0 0 0 0 0 0 3.3207 3.2085 -0.0137 C 0 0 0 0 0 0 0 0 0 3.1099 4.0545 -1.2719 C 0 0 0 0 0 0 0 0 0 3.1353 4.0423 1.2566 C 0 0 0 0 0 0 0 0 0 -1.0544 1.8578 0.0237 H 0 0 0 0 0 0 0 0 0 0.6649 3.2971 0.0143 H 0 0 0 0 0 0 0 0 0 4.0652 0.7968 -0.0341 H 0 0 0 0 0 0 0 0 0 3.1108 -1.3751 -0.0358 H 0 0 0 0 0 0 0 0 0 0.0304 -2.5235 -0.0112 H 0 0 0 0 0 0 0 0 0 4.3574 2.9009 -0.0256 H 0 0 0 0 0 0 0 0 0 2.1028 4.4425 -1.3125 H 0 0 0 0 0 0 0 0 0 3.8021 4.8842 -1.2755 H 0 0 0 0 0 0 0 0 0 3.2898 3.4495 -2.1489 H 0 0 0 0 0 0 0 0 0 2.1293 4.4300 1.3211 H 0 0 0 0 0 0 0 0 0 3.3325 3.4287 2.1240 H 0 0 0 0 0 0 0 0 0 3.8277 4.8718 1.2544 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END > 18805 > K $$$$ 18891 1016 111283D 18891 46 49 0 1 V2000 -1.9054 1.3979 0.5300 N 0 0 0 0 0 0 0 0 0 -4.3463 0.0523 0.1128 S 0 0 0 0 0 0 0 0 0 -0.9312 3.7012 4.0257 C 0 0 0 0 0 0 0 0 0 -1.1686 2.8302 3.0065 C 0 0 0 0 0 0 0 0 0 -1.9799 4.2230 4.7816 C 0 0 0 0 0 0 0 0 0 -3.2625 3.8394 4.5455 C 0 0 0 0 0 0 0 0 0 -2.4852 2.4705 2.6781 C 0 0 0 0 0 0 0 0 0 -3.5389 2.9103 3.5261 C 0 0 0 0 0 0 0 0 0 -2.8009 1.7060 1.5399 C 0 0 0 0 0 0 0 0 0 -4.8379 2.3962 3.3712 C 0 0 0 0 0 0 0 0 0 -4.1004 1.1820 1.4712 C 0 0 0 0 0 0 0 0 0 -5.0996 1.5223 2.3529 C 0 0 0 0 0 0 0 0 0 -0.4275 -0.2734 -0.4617 C 0 0 0 0 0 0 0 0 0 -0.2937 -1.4876 -1.1171 C 0 0 0 0 0 0 0 0 0 -1.6838 0.1851 -0.1116 C 0 0 0 0 0 0 0 0 0 -2.7913 -0.6332 -0.4235 C 0 0 0 0 0 0 0 0 0 -1.3948 -2.2611 -1.4303 C 0 0 0 0 0 0 0 0 0 -2.6669 -1.8237 -1.0744 C 0 0 0 0 0 0 0 0 0 -1.1454 2.5186 -0.0144 C 0 0 0 0 0 0 0 0 0 -1.4873 2.6952 -1.4953 C 0 0 0 0 0 0 0 0 0 -2.9546 3.1058 -1.6345 C 0 0 0 0 0 0 0 0 0 -3.2406 3.4326 -3.0379 N 0 0 0 0 0 0 0 0 0 -3.4749 2.1577 -3.7290 C 0 0 0 0 0 0 0 0 0 -4.5166 4.1603 -3.0503 C 0 0 0 0 0 0 0 0 0 0.0844 3.9897 4.2533 H 0 0 0 0 0 0 0 0 0 -0.3298 2.4000 2.4786 H 0 0 0 0 0 0 0 0 0 -1.7715 4.9413 5.5597 H 0 0 0 0 0 0 0 0 0 -4.0680 4.2481 5.1388 H 0 0 0 0 0 0 0 0 0 -5.6237 2.6880 4.0523 H 0 0 0 0 0 0 0 0 0 -6.0906 1.1066 2.2439 H 0 0 0 0 0 0 0 0 0 0.4601 0.2961 -0.2292 H 0 0 0 0 0 0 0 0 0 0.6933 -1.8348 -1.3851 H 0 0 0 0 0 0 0 0 0 -1.2707 -3.2001 -1.9489 H 0 0 0 0 0 0 0 0 0 -3.5343 -2.4197 -1.3160 H 0 0 0 0 0 0 0 0 0 -1.4008 3.4286 0.5284 H 0 0 0 0 0 0 0 0 0 -0.0789 2.3198 0.0909 H 0 0 0 0 0 0 0 0 0 -0.8512 3.4690 -1.9252 H 0 0 0 0 0 0 0 0 0 -1.3216 1.7550 -2.0212 H 0 0 0 0 0 0 0 0 0 -3.5940 2.2826 -1.3156 H 0 0 0 0 0 0 0 0 0 -3.1484 3.9788 -1.0114 H 0 0 0 0 0 0 0 0 0 -3.6925 2.3487 -4.7798 H 0 0 0 0 0 0 0 0 0 -2.5854 1.5327 -3.6499 H 0 0 0 0 0 0 0 0 0 -4.3206 1.6457 -3.2700 H 0 0 0 0 0 0 0 0 0 -4.7733 4.4262 -4.0757 H 0 0 0 0 0 0 0 0 0 -5.2997 3.5277 -2.6322 H 0 0 0 0 0 0 0 0 0 -4.4238 5.0668 -2.4522 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 4 7 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M END > 18891 > K $$$$ 18938 1016 111283D 18938 45 44 1 1 V2000 -11.6107 -7.1654 2.5763 C 0 0 0 0 0 0 0 0 0 -11.3644 -6.9666 1.2587 O 0 0 0 0 0 0 0 0 0 -12.7041 -7.6309 2.9286 O 0 0 0 0 0 0 0 0 0 -10.5717 -6.8207 3.6106 C 0 0 1 0 0 0 0 0 0 -9.3250 -7.4486 3.3793 O 0 0 0 0 0 0 0 0 0 -10.3647 -5.3075 3.6764 C 0 0 0 0 0 0 0 0 0 -11.6635 -4.5578 3.9912 C 0 0 0 0 0 0 0 0 0 -11.4688 -3.0436 4.0501 C 0 0 0 0 0 0 0 0 0 -10.6555 -2.6009 5.2680 C 0 0 0 0 0 0 0 0 0 -10.5024 -1.0809 5.2611 C 0 0 0 0 0 0 0 0 0 -9.7641 -0.5777 6.5036 C 0 0 0 0 0 0 0 0 0 -9.5439 0.9374 6.4804 C 0 0 0 0 0 0 0 0 0 -10.8652 1.7071 6.5127 C 0 0 0 0 0 0 0 0 0 -10.6530 3.2198 6.5849 C 0 0 0 0 0 0 0 0 0 -11.9779 3.9817 6.4925 C 0 0 0 0 0 0 0 0 0 -12.8991 3.7203 7.6873 C 0 0 0 0 0 0 0 0 0 -14.1793 4.5464 7.5948 C 0 0 0 0 0 0 0 0 0 -12.1278 -7.2775 0.7851 H 0 0 0 0 0 0 0 0 0 -10.9404 -7.1574 4.5691 H 0 0 0 0 0 0 0 0 0 -9.0187 -7.2335 2.5023 H 0 0 0 0 0 0 0 0 0 -9.6334 -5.1124 4.4463 H 0 0 0 0 0 0 0 0 0 -9.9706 -4.9627 2.7308 H 0 0 0 0 0 0 0 0 0 -12.3824 -4.7603 3.2100 H 0 0 0 0 0 0 0 0 0 -12.0709 -4.9064 4.9297 H 0 0 0 0 0 0 0 0 0 -10.9865 -2.7083 3.1424 H 0 0 0 0 0 0 0 0 0 -12.4455 -2.5836 4.1073 H 0 0 0 0 0 0 0 0 0 -11.1660 -2.9113 6.1695 H 0 0 0 0 0 0 0 0 0 -9.6736 -3.0503 5.2453 H 0 0 0 0 0 0 0 0 0 -9.9539 -0.7878 4.3767 H 0 0 0 0 0 0 0 0 0 -11.4889 -0.6419 5.2254 H 0 0 0 0 0 0 0 0 0 -10.3298 -0.8414 7.3865 H 0 0 0 0 0 0 0 0 0 -8.7990 -1.0608 6.5577 H 0 0 0 0 0 0 0 0 0 -8.9625 1.2084 7.3501 H 0 0 0 0 0 0 0 0 0 -8.9862 1.2089 5.5950 H 0 0 0 0 0 0 0 0 0 -11.4296 1.4892 5.6179 H 0 0 0 0 0 0 0 0 0 -11.4296 1.3811 7.3742 H 0 0 0 0 0 0 0 0 0 -10.1478 3.4770 7.5054 H 0 0 0 0 0 0 0 0 0 -10.0308 3.5227 5.7546 H 0 0 0 0 0 0 0 0 0 -11.7559 5.0385 6.4507 H 0 0 0 0 0 0 0 0 0 -12.4848 3.7024 5.5790 H 0 0 0 0 0 0 0 0 0 -13.1729 2.6757 7.7222 H 0 0 0 0 0 0 0 0 0 -12.3815 3.9773 8.6006 H 0 0 0 0 0 0 0 0 0 -13.9382 5.5992 7.5857 H 0 0 0 0 0 0 0 0 0 -14.7179 4.2940 6.6927 H 0 0 0 0 0 0 0 0 0 -14.8033 4.3350 8.4510 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 18 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 1 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 M END > 18938 > K $$$$ 19857 1016 111283D 19857 64 66 1 1 V2000 17.3241 5.0622 0.1102 C 0 0 0 0 0 0 0 0 0 16.9518 3.8211 0.6028 C 0 0 0 0 0 0 0 0 0 18.5622 5.2262 -0.4911 C 0 0 0 0 0 0 0 0 0 19.4271 4.1490 -0.6012 C 0 0 0 0 0 0 0 0 0 17.8166 2.7444 0.4932 C 0 0 0 0 0 0 0 0 0 19.0532 2.9091 -0.1095 C 0 0 0 0 0 0 0 0 0 21.0361 3.8846 2.0471 C 0 0 0 0 0 0 0 0 0 21.7636 5.0414 2.2695 C 0 0 0 0 0 0 0 0 0 21.5889 2.8512 1.3077 C 0 0 0 0 0 0 0 0 0 23.0458 5.1632 1.7523 C 0 0 0 0 0 0 0 0 0 22.8681 2.9701 0.7899 C 0 0 0 0 0 0 0 0 0 23.5995 4.1263 1.0115 C 0 0 0 0 0 0 0 0 0 19.2477 -0.5524 0.4502 C 0 0 0 0 0 0 0 0 0 19.2010 0.4819 -0.4711 C 0 0 0 0 0 0 0 0 0 18.5191 -1.7085 0.2300 C 0 0 0 0 0 0 0 0 0 18.4268 0.3639 -1.6135 C 0 0 0 0 0 0 0 0 0 17.7437 -1.8293 -0.9152 C 0 0 0 0 0 0 0 0 0 17.6961 -0.7922 -1.8375 C 0 0 0 0 0 0 0 0 0 17.0276 -2.9662 -1.1342 O 0 0 0 0 0 0 0 0 0 16.0177 -3.3755 -0.1854 C 0 0 0 0 0 0 0 0 0 14.9493 -2.2837 -0.0675 C 0 0 0 0 0 0 0 0 0 13.9230 -2.6987 0.8962 N 0 0 0 0 0 0 0 0 0 14.5734 -2.7607 2.2107 C 0 0 0 0 0 0 0 0 0 14.4714 -4.1822 2.7670 C 0 0 0 0 0 0 0 0 0 12.9373 -1.6130 0.9595 C 0 0 0 0 0 0 0 0 0 11.8319 -1.9824 1.9523 C 0 0 0 0 0 0 0 0 0 19.9939 1.7395 -0.2303 C 0 0 1 0 0 0 0 0 0 20.8869 1.9547 -1.3205 O 0 0 0 0 0 0 0 0 0 20.7972 1.5965 1.0663 C 0 0 0 0 0 0 0 0 0 23.7624 6.2998 1.9706 O 0 0 0 0 0 0 0 0 0 25.0928 6.4315 1.4196 C 0 0 0 0 0 0 0 0 0 16.6525 5.8959 0.1921 H 0 0 0 0 0 0 0 0 0 15.9931 3.6941 1.0693 H 0 0 0 0 0 0 0 0 0 18.8506 6.1875 -0.8725 H 0 0 0 0 0 0 0 0 0 20.3859 4.2754 -1.0681 H 0 0 0 0 0 0 0 0 0 17.5282 1.7827 0.8744 H 0 0 0 0 0 0 0 0 0 20.0454 3.7876 2.4498 H 0 0 0 0 0 0 0 0 0 21.3349 5.8427 2.8426 H 0 0 0 0 0 0 0 0 0 23.2934 2.1670 0.2180 H 0 0 0 0 0 0 0 0 0 24.5915 4.2184 0.6103 H 0 0 0 0 0 0 0 0 0 19.8514 -0.4597 1.3332 H 0 0 0 0 0 0 0 0 0 18.5557 -2.5099 0.9442 H 0 0 0 0 0 0 0 0 0 18.3926 1.1673 -2.3252 H 0 0 0 0 0 0 0 0 0 17.0961 -0.8841 -2.7236 H 0 0 0 0 0 0 0 0 0 15.5513 -4.3015 -0.5185 H 0 0 0 0 0 0 0 0 0 16.4789 -3.5359 0.7908 H 0 0 0 0 0 0 0 0 0 15.4140 -1.3587 0.2749 H 0 0 0 0 0 0 0 0 0 14.4914 -2.1204 -1.0411 H 0 0 0 0 0 0 0 0 0 15.6221 -2.4839 2.1114 H 0 0 0 0 0 0 0 0 0 14.0836 -2.0680 2.8927 H 0 0 0 0 0 0 0 0 0 13.4261 -4.4860 2.7964 H 0 0 0 0 0 0 0 0 0 15.0298 -4.8633 2.1265 H 0 0 0 0 0 0 0 0 0 14.8860 -4.2085 3.7737 H 0 0 0 0 0 0 0 0 0 13.4288 -0.6974 1.2890 H 0 0 0 0 0 0 0 0 0 12.5024 -1.4568 -0.0258 H 0 0 0 0 0 0 0 0 0 11.0952 -1.1822 1.9894 H 0 0 0 0 0 0 0 0 0 11.3515 -2.9055 1.6319 H 0 0 0 0 0 0 0 0 0 12.2633 -2.1235 2.9420 H 0 0 0 0 0 0 0 0 0 21.4695 1.1873 -1.3642 H 0 0 0 0 0 0 0 0 0 21.4753 0.7480 0.9791 H 0 0 0 0 0 0 0 0 0 20.1146 1.4308 1.8995 H 0 0 0 0 0 0 0 0 0 25.7323 5.6404 1.8116 H 0 0 0 0 0 0 0 0 0 25.0491 6.3551 0.3329 H 0 0 0 0 0 0 0 0 0 25.5081 7.4008 1.6962 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 5 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 6 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 27 1 0 0 0 0 7 9 2 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 10 2 0 0 0 0 8 38 1 0 0 0 0 9 29 1 0 0 0 0 9 11 1 0 0 0 0 10 30 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 14 27 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 42 1 0 0 0 0 16 18 2 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 6 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 M END > 19857 > K $$$$ 19990 1016 111283D 19990 106109 1 1 V2000 0.1614 -1.0030 2.9644 O 0 0 0 0 0 0 0 0 0 2.2021 -0.2032 3.0054 N 0 0 0 0 0 0 0 0 0 3.1317 -0.3610 2.7803 H 0 0 0 0 0 0 0 0 0 3.2422 4.6113 1.2386 O 0 0 0 0 0 0 0 0 0 -2.6424 5.5968 2.4352 O 0 0 0 0 0 0 0 0 0 -0.7694 6.9249 1.9836 O 0 0 0 0 0 0 0 0 0 -5.1500 -2.1511 5.4956 C 0 0 1 0 0 0 0 0 0 -4.9725 -0.9341 6.4337 C 0 0 1 0 0 0 0 0 0 -2.6205 3.1561 2.8131 C 0 0 0 0 0 0 0 0 0 -1.8984 4.4677 2.6152 C 0 0 0 0 0 0 0 0 0 -3.1876 2.8106 3.9867 C 0 0 0 0 0 0 0 0 0 -3.8769 1.4866 4.2839 C 0 0 1 0 0 0 0 0 0 -4.5998 1.5358 5.6519 C 0 0 1 0 0 0 0 0 0 -5.6007 0.4153 6.0175 C 0 0 1 0 0 0 0 0 0 -4.1207 -3.2807 5.7345 C 0 0 1 0 0 0 0 0 0 -0.5570 4.5380 2.5898 C 0 0 0 0 0 0 0 0 0 -3.4645 -3.8512 4.4563 C 0 0 1 0 0 0 0 0 0 -2.3384 -4.8448 4.8138 C 0 0 1 0 0 0 0 0 0 0.0124 5.8134 2.0611 C 0 0 0 0 0 0 0 0 0 0.3875 3.4520 3.0291 C 0 0 0 0 0 0 0 0 0 0.0926 2.5657 4.0575 C 0 0 0 0 0 0 0 0 0 0.7846 1.3686 4.1485 C 0 0 0 0 0 0 0 0 0 -1.5827 -5.4890 3.6339 C 0 0 1 0 0 0 0 0 0 1.2917 5.8429 1.6613 C 0 0 0 0 0 0 0 0 0 1.6067 3.3395 2.3796 C 0 0 0 0 0 0 0 0 0 1.7461 1.0726 3.1815 C 0 0 0 0 0 0 0 0 0 -0.1664 -5.8463 4.0300 C 0 0 0 0 0 0 0 0 0 2.1353 4.5908 1.7201 C 0 0 0 0 0 0 0 0 0 2.2473 2.1002 2.3837 C 0 0 0 0 0 0 0 0 0 0.8674 -4.9902 3.9912 C 0 0 0 0 0 0 0 0 0 1.3336 -1.2468 3.1305 C 0 0 0 0 0 0 0 0 0 1.7178 -2.6640 3.4616 C 0 0 0 0 0 0 0 0 0 0.7090 -3.5388 3.6201 C 0 0 0 0 0 0 0 0 0 -1.9711 6.8107 2.7240 C 0 0 0 0 0 0 0 0 0 -1.3808 -4.1023 5.5376 O 0 0 0 0 0 0 0 0 0 -4.5071 -4.4543 3.5081 C 0 0 0 0 0 0 0 0 0 -2.2388 -6.7864 3.1433 C 0 0 0 0 0 0 0 0 0 -3.1372 -2.8349 6.6441 O 0 0 0 0 0 0 0 0 0 -8.5110 -3.1268 6.8229 C 0 0 0 0 0 0 0 0 0 -7.1925 -2.6205 6.8310 O 0 0 0 0 0 0 0 0 0 -6.5129 -2.7673 5.6624 C 0 0 0 0 0 0 0 0 0 -6.9963 -3.3993 4.7527 O 0 0 0 0 0 0 0 0 0 -5.4740 -1.2235 7.7227 O 0 0 0 0 0 0 0 0 0 3.1715 -3.0292 3.5969 C 0 0 0 0 0 0 0 0 0 -6.8005 0.3370 5.0675 C 0 0 0 0 0 0 0 0 0 -3.6664 1.5608 6.7159 O 0 0 0 0 0 0 0 0 0 -4.8542 1.2526 3.2922 O 0 0 0 0 0 0 0 0 0 -2.8218 0.3765 4.3568 C 0 0 0 0 0 0 0 0 0 3.3507 1.8185 1.6375 O 0 0 0 0 0 0 0 0 0 0.4686 0.4383 5.2944 C 0 0 0 0 0 0 0 0 0 -2.6445 2.2880 1.5871 C 0 0 0 0 0 0 0 0 0 -0.8629 2.8603 4.9782 O 0 0 0 0 0 0 0 0 0 -0.5996 3.9039 5.8212 C 0 0 0 0 0 0 0 0 0 -1.4938 4.2729 6.5429 O 0 0 0 0 0 0 0 0 0 0.7175 4.6245 5.9196 C 0 0 0 0 0 0 0 0 0 1.8775 7.1293 1.1545 C 0 0 0 0 0 0 0 0 0 -5.0597 -1.8006 4.4797 H 0 0 0 0 0 0 0 0 0 -3.9184 -0.7387 6.5590 H 0 0 0 0 0 0 0 0 0 -3.1426 3.5164 4.7638 H 0 0 0 0 0 0 0 0 0 -5.1714 2.4544 5.6679 H 0 0 0 0 0 0 0 0 0 -6.0251 0.7847 6.9411 H 0 0 0 0 0 0 0 0 0 -4.6084 -4.1059 6.2387 H 0 0 0 0 0 0 0 0 0 -2.9980 -3.0268 3.9363 H 0 0 0 0 0 0 0 0 0 -2.7370 -5.6356 5.4373 H 0 0 0 0 0 0 0 0 0 -1.5501 -4.7952 2.8065 H 0 0 0 0 0 0 0 0 0 0.0282 -6.8258 4.3575 H 0 0 0 0 0 0 0 0 0 1.8182 -5.3612 4.2342 H 0 0 0 0 0 0 0 0 0 -0.2685 -3.1816 3.4776 H 0 0 0 0 0 0 0 0 0 -2.6184 7.6423 2.4836 H 0 0 0 0 0 0 0 0 0 -1.7572 6.8650 3.7855 H 0 0 0 0 0 0 0 0 0 -1.4568 -4.3070 6.4660 H 0 0 0 0 0 0 0 0 0 -4.0470 -4.6945 2.5616 H 0 0 0 0 0 0 0 0 0 -4.9376 -5.3460 3.9413 H 0 0 0 0 0 0 0 0 0 -5.2949 -3.7475 3.2994 H 0 0 0 0 0 0 0 0 0 -1.6571 -7.2029 2.3332 H 0 0 0 0 0 0 0 0 0 -2.2815 -7.5073 3.9473 H 0 0 0 0 0 0 0 0 0 -3.2402 -6.6217 2.7815 H 0 0 0 0 0 0 0 0 0 -2.4928 -2.2926 6.1954 H 0 0 0 0 0 0 0 0 0 -8.5020 -4.2059 6.7710 H 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 2.6885 6.9275 0.4710 H 0 0 0 0 0 0 0 0 0 1.1227 7.7132 0.6474 H 0 0 0 0 0 0 0 0 0 2.2538 7.6974 1.9934 H 0 0 0 0 0 0 0 0 0 1 31 2 0 0 0 0 2 31 1 0 0 0 0 2 26 1 0 0 0 0 2 3 1 0 0 0 0 4 28 2 0 0 0 0 5 10 1 0 0 0 0 5 34 1 0 0 0 0 6 19 1 0 0 0 0 6 34 1 0 0 0 0 7 41 1 0 0 0 0 7 8 1 1 0 0 0 7 15 1 0 0 0 0 7 57 1 6 0 0 0 8 43 1 1 0 0 0 8 14 1 6 0 0 0 8 58 1 0 0 0 0 9 10 1 0 0 0 0 9 51 1 0 0 0 0 9 11 2 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 59 1 0 0 0 0 12 47 1 6 0 0 0 12 13 1 1 0 0 0 12 48 1 0 0 0 0 13 46 1 1 0 0 0 13 14 1 0 0 0 0 13 60 1 6 0 0 0 14 45 1 6 0 0 0 14 61 1 1 0 0 0 15 38 1 1 0 0 0 15 17 1 6 0 0 0 15 62 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 1 0 0 0 17 36 1 6 0 0 0 17 63 1 0 0 0 0 18 35 1 1 0 0 0 18 23 1 6 0 0 0 18 64 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 52 1 0 0 0 0 21 22 1 0 0 0 0 22 50 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 1 0 0 0 23 37 1 0 0 0 0 23 65 1 6 0 0 0 24 28 1 0 0 0 0 24 56 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 66 1 0 0 0 0 29 49 1 0 0 0 0 30 33 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 32 44 1 0 0 0 0 32 33 2 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 78 1 0 0 0 0 39 40 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 43 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 46 89 1 0 0 0 0 47 90 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 48 93 1 0 0 0 0 49 94 1 0 0 0 0 50 95 1 0 0 0 0 50 96 1 0 0 0 0 50 97 1 0 0 0 0 51 98 1 0 0 0 0 51 99 1 0 0 0 0 51100 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 55101 1 0 0 0 0 55102 1 0 0 0 0 55103 1 0 0 0 0 56104 1 0 0 0 0 56105 1 0 0 0 0 56106 1 0 0 0 0 M END > 19990 > K $$$$ 19994 1016 111283D 19994 33 35 1 1 V2000 6.3545 2.2865 -1.6818 C 0 0 0 0 0 0 0 0 0 4.3389 4.8966 -0.1763 C 0 0 0 0 0 0 0 0 0 5.4344 3.3319 -1.1417 C 0 0 0 0 0 0 0 0 0 4.1992 3.4046 -1.7403 C 0 0 0 0 0 0 0 0 0 4.6185 1.7126 -3.2041 C 0 0 0 0 0 0 0 0 0 2.1847 4.7929 -1.4318 C 0 0 1 0 0 0 0 0 0 0.6665 3.4757 -2.5194 C 0 0 1 0 0 0 0 0 0 2.0271 5.3311 -2.8552 C 0 0 1 0 0 0 0 0 0 0.6222 4.8493 -3.1827 C 0 0 1 0 0 0 0 0 0 6.4456 0.8376 -3.0746 H 0 0 0 0 0 0 0 0 0 5.8748 1.5250 -2.7028 N 0 0 0 0 0 0 0 0 0 7.4693 2.1029 -1.2561 O 0 0 0 0 0 0 0 0 0 3.8319 2.5862 -2.7619 N 0 0 0 0 0 0 0 0 0 1.3652 3.6484 -1.3025 O 0 0 0 0 0 0 0 0 0 5.5329 4.2583 -0.1677 N 0 0 0 0 0 0 0 0 0 3.5233 4.3834 -1.1256 N 0 0 0 0 0 0 0 0 0 4.2004 0.9273 -4.2188 N 0 0 0 0 0 0 0 0 0 -1.4618 2.8535 -3.4587 O 0 0 0 0 0 0 0 0 0 -0.7204 2.8967 -2.2578 C 0 0 0 0 0 0 0 0 0 0.4054 4.8133 -4.5787 O 0 0 0 0 0 0 0 0 0 2.1632 6.7361 -2.9338 O 0 0 0 0 0 0 0 0 0 4.0861 5.6854 0.4723 H 0 0 0 0 0 0 0 0 0 1.8413 5.5520 -0.7414 H 0 0 0 0 0 0 0 0 0 1.2118 2.7982 -3.1622 H 0 0 0 0 0 0 0 0 0 2.7263 4.8350 -3.5141 H 0 0 0 0 0 0 0 0 0 -0.0959 5.4869 -2.6853 H 0 0 0 0 0 0 0 0 0 3.3121 1.0494 -4.5877 H 0 0 0 0 0 0 0 0 0 4.7822 0.2426 -4.5808 H 0 0 0 0 0 0 0 0 0 -2.3010 2.4352 -3.2890 H 0 0 0 0 0 0 0 0 0 -0.6016 1.9021 -1.8504 H 0 0 0 0 0 0 0 0 0 -1.2258 3.5141 -1.5283 H 0 0 0 0 0 0 0 0 0 -0.4519 4.4296 -4.7464 H 0 0 0 0 0 0 0 0 0 2.0431 6.9939 -3.8443 H 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 11 1 0 0 0 0 1 3 1 0 0 0 0 2 16 1 0 0 0 0 2 15 2 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 4 2 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 5 13 2 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 8 1 6 0 0 0 6 23 1 1 0 0 0 7 14 1 1 0 0 0 7 9 1 6 0 0 0 7 19 1 0 0 0 0 7 24 1 0 0 0 0 8 21 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 6 0 0 0 9 20 1 6 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 M END > 19994 > K $$$$ 20514 1016 111283D 20514 54 56 0 1 V2000 1.8419 -4.6233 -4.4909 N 0 0 0 0 0 0 0 0 0 3.8137 -2.5069 -4.7134 N 0 0 0 0 0 0 0 0 0 4.7690 2.6347 -3.8090 N 0 0 0 0 0 0 0 0 0 4.9960 0.2794 -4.1588 C 0 0 0 0 0 0 0 0 0 5.0973 1.4263 -3.3434 C 0 0 0 0 0 0 0 0 0 5.3399 -0.9415 -3.6526 C 0 0 0 0 0 0 0 0 0 5.5558 1.2843 -2.0110 C 0 0 0 0 0 0 0 0 0 5.7899 -1.0736 -2.3415 C 0 0 0 0 0 0 0 0 0 5.6565 2.4294 -1.1983 C 0 0 0 0 0 0 0 0 0 4.8617 3.7036 -3.0558 C 0 0 0 0 0 0 0 0 0 5.3045 3.6343 -1.7365 C 0 0 0 0 0 0 0 0 0 5.9000 0.0117 -1.5266 C 0 0 0 0 0 0 0 0 0 3.3221 -2.9920 -3.4180 C 0 0 0 0 0 0 0 0 0 1.8818 -3.4839 -3.5660 C 0 0 0 0 0 0 0 0 0 3.7739 -3.6465 -5.6383 C 0 0 0 0 0 0 0 0 0 2.3337 -4.1383 -5.7863 C 0 0 0 0 0 0 0 0 0 0.4257 -4.9657 -4.6782 C 0 0 0 0 0 0 0 0 0 1.1534 -1.7815 2.5879 C 0 0 0 0 0 0 0 0 0 2.2674 -1.9424 1.5515 C 0 0 0 0 0 0 0 0 0 3.2739 -0.8001 1.7032 C 0 0 0 0 0 0 0 0 0 4.3911 -0.9643 0.6708 C 0 0 0 0 0 0 0 0 0 5.3189 0.1151 0.7974 O 0 0 0 0 0 0 0 0 0 6.3896 -0.1520 -0.1107 C 0 0 0 0 0 0 0 0 0 5.2300 -2.1646 -4.5261 C 0 0 0 0 0 0 0 0 0 4.5585 0.3889 -5.4402 O 0 0 0 0 0 0 0 0 0 6.0554 -2.0507 -1.9657 H 0 0 0 0 0 0 0 0 0 6.0020 2.3571 -0.1777 H 0 0 0 0 0 0 0 0 0 4.5874 4.6630 -3.4686 H 0 0 0 0 0 0 0 0 0 5.3700 4.5324 -1.1403 H 0 0 0 0 0 0 0 0 0 3.9522 -3.8125 -3.0749 H 0 0 0 0 0 0 0 0 0 3.3555 -2.1810 -2.6905 H 0 0 0 0 0 0 0 0 0 1.2614 -2.6774 -3.9571 H 0 0 0 0 0 0 0 0 0 1.5022 -3.7935 -2.5924 H 0 0 0 0 0 0 0 0 0 4.1535 -3.3368 -6.6120 H 0 0 0 0 0 0 0 0 0 4.3943 -4.4528 -5.2472 H 0 0 0 0 0 0 0 0 0 2.3002 -4.9493 -6.5138 H 0 0 0 0 0 0 0 0 0 1.7035 -3.3177 -6.1294 H 0 0 0 0 0 0 0 0 0 0.3436 -5.8113 -5.3610 H 0 0 0 0 0 0 0 0 0 -0.0141 -5.2310 -3.7168 H 0 0 0 0 0 0 0 0 0 -0.1030 -4.1089 -5.0957 H 0 0 0 0 0 0 0 0 0 1.5827 -1.8062 3.5895 H 0 0 0 0 0 0 0 0 0 0.6476 -0.8286 2.4327 H 0 0 0 0 0 0 0 0 0 0.4364 -2.5954 2.4798 H 0 0 0 0 0 0 0 0 0 2.7732 -2.8954 1.7067 H 0 0 0 0 0 0 0 0 0 1.8381 -1.9178 0.5499 H 0 0 0 0 0 0 0 0 0 2.7690 0.1526 1.5437 H 0 0 0 0 0 0 0 0 0 3.7000 -0.8221 2.7063 H 0 0 0 0 0 0 0 0 0 4.9073 -1.9091 0.8413 H 0 0 0 0 0 0 0 0 0 3.9630 -0.9598 -0.3316 H 0 0 0 0 0 0 0 0 0 6.7439 -1.1724 0.0355 H 0 0 0 0 0 0 0 0 0 7.2058 0.5462 0.0746 H 0 0 0 0 0 0 0 0 0 5.7455 -2.9987 -4.0501 H 0 0 0 0 0 0 0 0 0 5.6858 -1.9611 -5.4952 H 0 0 0 0 0 0 0 0 0 3.6101 0.3869 -5.6291 H 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 24 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 3 5 2 0 0 0 0 4 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 6 8 1 0 0 0 0 7 12 1 0 0 0 0 7 9 2 0 0 0 0 8 12 2 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 M END > 20514 > K $$$$ 20534 1016 111283D 20534 49 51 0 1 V2000 2.8859 -5.4369 -5.3919 O 0 0 0 0 0 0 0 0 0 -0.6455 -3.4150 -6.4890 S 0 0 0 0 0 0 0 0 0 3.0649 -2.7761 -5.0599 C 0 0 0 0 0 0 0 0 0 3.0751 -1.4072 -4.8616 C 0 0 0 0 0 0 0 0 0 1.9031 -3.4065 -5.5602 C 0 0 0 0 0 0 0 0 0 1.8846 -4.8456 -5.7556 C 0 0 0 0 0 0 0 0 0 0.8357 -5.6809 -6.3258 C 0 0 0 0 0 0 0 0 0 1.0509 -7.0585 -6.4997 C 0 0 0 0 0 0 0 0 0 0.0708 -7.8447 -7.0299 C 0 0 0 0 0 0 0 0 0 1.9627 -0.6339 -5.1461 C 0 0 0 0 0 0 0 0 0 0.7890 -2.5892 -5.8480 C 0 0 0 0 0 0 0 0 0 -0.4140 -5.1596 -6.7187 C 0 0 0 0 0 0 0 0 0 -1.1551 -7.3149 -7.4092 C 0 0 0 0 0 0 0 0 0 0.8150 -1.2266 -5.6429 C 0 0 0 0 0 0 0 0 0 -1.3997 -5.9636 -7.2530 C 0 0 0 0 0 0 0 0 0 4.1953 -3.5299 -4.7691 N 0 0 0 0 0 0 0 0 0 4.7057 -3.5853 -3.3970 C 0 0 0 0 0 0 0 0 0 3.5965 -4.0661 -2.4592 C 0 0 0 0 0 0 0 0 0 4.0967 -4.0846 -1.0782 N 0 0 0 0 0 0 0 0 0 2.9181 -4.0529 -0.2019 C 0 0 0 0 0 0 0 0 0 2.5039 -2.6006 0.0434 C 0 0 0 0 0 0 0 0 0 4.7362 -5.3920 -0.8783 C 0 0 0 0 0 0 0 0 0 5.7059 -5.3103 0.3023 C 0 0 0 0 0 0 0 0 0 6.3484 -6.5744 0.4794 O 0 0 0 0 0 0 0 0 0 -0.3976 -0.3885 -5.9566 C 0 0 0 0 0 0 0 0 0 3.9663 -0.9335 -4.4770 H 0 0 0 0 0 0 0 0 0 1.9957 -7.4962 -6.2129 H 0 0 0 0 0 0 0 0 0 0.2521 -8.9017 -7.1576 H 0 0 0 0 0 0 0 0 0 1.9908 0.4330 -4.9812 H 0 0 0 0 0 0 0 0 0 -1.9164 -7.9578 -7.8256 H 0 0 0 0 0 0 0 0 0 -2.3503 -5.5425 -7.5452 H 0 0 0 0 0 0 0 0 0 4.6465 -4.0195 -5.4745 H 0 0 0 0 0 0 0 0 0 5.5468 -4.2772 -3.3498 H 0 0 0 0 0 0 0 0 0 5.0348 -2.5921 -3.0913 H 0 0 0 0 0 0 0 0 0 2.7441 -3.3901 -2.5280 H 0 0 0 0 0 0 0 0 0 3.2875 -5.0709 -2.7473 H 0 0 0 0 0 0 0 0 0 2.0972 -4.5895 -0.6775 H 0 0 0 0 0 0 0 0 0 3.1596 -4.5275 0.7492 H 0 0 0 0 0 0 0 0 0 3.2858 -2.0898 0.6053 H 0 0 0 0 0 0 0 0 0 2.3563 -2.0985 -0.9127 H 0 0 0 0 0 0 0 0 0 1.5745 -2.5791 0.6124 H 0 0 0 0 0 0 0 0 0 3.9730 -6.1418 -0.6704 H 0 0 0 0 0 0 0 0 0 5.2831 -5.6704 -1.7791 H 0 0 0 0 0 0 0 0 0 6.4569 -4.5457 0.1034 H 0 0 0 0 0 0 0 0 0 5.1558 -5.0524 1.2072 H 0 0 0 0 0 0 0 0 0 6.8885 -6.5039 1.2783 H 0 0 0 0 0 0 0 0 0 -0.3464 -0.0483 -6.9908 H 0 0 0 0 0 0 0 0 0 -1.2984 -0.9854 -5.8146 H 0 0 0 0 0 0 0 0 0 -0.4248 0.4744 -5.2911 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 16 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 10 14 2 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 25 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END > 20534 > K $$$$ 21206 1016 111283D 21206 17 17 0 1 V2000 1.2065 -0.6625 0.4111 N 0 0 0 0 0 0 0 0 0 1.0675 1.9875 -0.2585 C 0 0 0 0 0 0 0 0 0 2.2850 1.4385 0.1297 C 0 0 0 0 0 0 0 0 0 -0.0728 1.1963 -0.3041 C 0 0 0 0 0 0 0 0 0 2.3302 0.0908 0.4635 C 0 0 0 0 0 0 0 0 0 0.0157 -0.1453 0.0406 C 0 0 0 0 0 0 0 0 0 -1.0664 -0.9582 0.0163 N 0 0 0 0 0 0 0 0 0 3.5556 2.2429 0.2037 C 0 0 0 0 0 0 0 0 0 4.5748 1.7002 0.5540 O 0 0 0 0 0 0 0 0 0 3.6380 3.5605 -0.1012 N 0 0 0 0 0 0 0 0 0 0.9967 3.0012 -0.5198 H 0 0 0 0 0 0 0 0 0 -0.9938 1.6068 -0.5959 H 0 0 0 0 0 0 0 0 0 3.2380 -0.3497 0.7585 H 0 0 0 0 0 0 0 0 0 -0.9653 -1.8905 0.2640 H 0 0 0 0 0 0 0 0 0 -1.9375 -0.6221 -0.2441 H 0 0 0 0 0 0 0 0 0 4.4949 4.0049 -0.0119 H 0 0 0 0 0 0 0 0 0 2.8680 4.0617 -0.4032 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 3 8 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END > 21206 > K $$$$ 21548 1016 111283D 21548 31 32 1 1 V2000 3.8231 -2.1726 1.5119 O 0 0 0 0 0 0 0 0 0 1.9500 0.6251 -0.6272 O 0 0 0 0 0 0 0 0 0 7.0183 -2.5038 -1.5144 O 0 0 0 0 0 0 0 0 0 3.8214 -0.6690 -0.1349 N 0 0 0 0 0 0 0 0 0 6.0405 -1.9329 -1.0969 C 0 0 0 0 0 0 0 0 0 5.4900 -0.7253 -1.7954 C 0 0 0 0 0 0 0 0 0 4.3980 -0.1581 -1.2649 C 0 0 0 0 0 0 0 0 0 4.3379 -1.7575 0.5028 C 0 0 0 0 0 0 0 0 0 2.6437 -0.0494 0.4005 C 0 0 1 0 0 0 0 0 0 2.9981 1.0321 1.4130 C 0 0 0 0 0 0 0 0 0 1.6738 1.7756 1.4383 C 0 0 1 0 0 0 0 0 0 1.3157 1.7515 -0.0487 C 0 0 1 0 0 0 0 0 0 1.2876 4.1561 -0.2034 O 0 0 0 0 0 0 0 0 0 1.8240 2.9880 -0.7871 C 0 0 0 0 0 0 0 0 0 0.7364 1.0208 2.1776 O 0 0 0 0 0 0 0 0 0 5.4304 -2.3905 0.0193 N 0 0 0 0 0 0 0 0 0 6.1392 -0.1786 -3.0343 C 0 0 0 0 0 0 0 0 0 3.9812 0.6892 -1.7281 H 0 0 0 0 0 0 0 0 0 1.9786 -0.7775 0.8518 H 0 0 0 0 0 0 0 0 0 3.2700 0.6267 2.3760 H 0 0 0 0 0 0 0 0 0 3.7856 1.6633 1.0280 H 0 0 0 0 0 0 0 0 0 1.7555 2.7821 1.8278 H 0 0 0 0 0 0 0 0 0 0.2414 1.6947 -0.1532 H 0 0 0 0 0 0 0 0 0 1.5357 4.9095 -0.7313 H 0 0 0 0 0 0 0 0 0 2.9034 3.0136 -0.7371 H 0 0 0 0 0 0 0 0 0 1.5263 2.9081 -1.8233 H 0 0 0 0 0 0 0 0 0 0.9367 1.0911 3.1064 H 0 0 0 0 0 0 0 0 0 5.7751 -3.1714 0.4739 H 0 0 0 0 0 0 0 0 0 6.8527 -0.8906 -3.4238 H 0 0 0 0 0 0 0 0 0 5.3917 0.0193 -3.7888 H 0 0 0 0 0 0 0 0 0 6.6549 0.7393 -2.7919 H 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 5 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 7 1 0 0 0 0 5 16 1 0 0 0 0 5 6 1 0 0 0 0 6 17 1 0 0 0 0 6 7 2 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 6 0 0 0 9 19 1 1 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 1 0 0 0 11 12 1 0 0 0 0 11 22 1 6 0 0 0 12 14 1 6 0 0 0 12 23 1 1 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 M END > 21548 > K $$$$ 22842 1016 111283D 22842 28 31 0 1 V2000 0.0855 1.3616 0.0795 C 0 0 0 0 0 0 0 0 0 3.3933 -5.8006 -0.1447 C 0 0 0 0 0 0 0 0 0 1.2933 2.0591 0.0778 C 0 0 0 0 0 0 0 0 0 0.0655 -0.0287 0.0394 C 0 0 0 0 0 0 0 0 0 0.8064 -3.2748 -0.0269 C 0 0 0 0 0 0 0 0 0 2.8047 -4.5434 -0.1069 C 0 0 0 0 0 0 0 0 0 4.7743 -5.9415 -0.1912 C 0 0 0 0 0 0 0 0 0 2.5029 1.3760 0.0180 C 0 0 0 0 0 0 0 0 0 1.2863 -0.6851 -0.0010 C 0 0 0 0 0 0 0 0 0 1.6135 -2.0199 -0.0321 C 0 0 0 0 0 0 0 0 0 3.6316 -3.4206 -0.1153 C 0 0 0 0 0 0 0 0 0 5.5844 -4.8112 -0.1982 C 0 0 0 0 0 0 0 0 0 2.4931 -0.0100 -0.0182 C 0 0 0 0 0 0 0 0 0 2.9859 -2.0766 -0.0738 C 0 0 0 0 0 0 0 0 0 5.0133 -3.5464 -0.1605 C 0 0 0 0 0 0 0 0 0 1.4339 -4.4896 -0.0635 O 0 0 0 0 0 0 0 0 0 -0.3990 -3.2163 0.0099 O 0 0 0 0 0 0 0 0 0 3.5967 -0.8393 -0.0711 O 0 0 0 0 0 0 0 0 0 5.2924 -7.1963 -0.2289 O 0 0 0 0 0 0 0 0 0 1.3360 3.4155 0.1333 O 0 0 0 0 0 0 0 0 0 -0.8203 1.8910 0.1110 H 0 0 0 0 0 0 0 0 0 2.7871 -6.6572 -0.1382 H 0 0 0 0 0 0 0 0 0 -0.8403 -0.5620 0.0397 H 0 0 0 0 0 0 0 0 0 3.4109 1.9015 0.0015 H 0 0 0 0 0 0 0 0 0 6.6289 -4.9122 -0.2319 H 0 0 0 0 0 0 0 0 0 5.6223 -2.6896 -0.1661 H 0 0 0 0 0 0 0 0 0 6.2422 -7.1700 -0.2742 H 0 0 0 0 0 0 0 0 0 0.4705 3.7746 0.3015 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 3 2 0 0 0 0 1 21 1 0 0 0 0 2 7 2 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 9 2 0 0 0 0 4 23 1 0 0 0 0 5 17 2 0 0 0 0 5 16 1 0 0 0 0 5 10 1 0 0 0 0 6 16 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 13 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 15 2 0 0 0 0 12 25 1 0 0 0 0 13 18 1 0 0 0 0 14 18 1 0 0 0 0 15 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 M END > 22842 > K $$$$ 22992 1016 111283D 22992 34 34 1 1 V2000 -0.8510 3.7594 1.8736 C 0 0 0 0 0 0 0 0 0 -1.0818 5.1337 1.9275 C 0 0 0 0 0 0 0 0 0 -1.9170 2.8800 1.8701 C 0 0 0 0 0 0 0 0 0 -2.4057 5.6150 1.9780 C 0 0 0 0 0 0 0 0 0 -3.2163 3.3534 1.9198 C 0 0 0 0 0 0 0 0 0 -3.4653 4.7126 1.9736 C 0 0 0 0 0 0 0 0 0 0.0503 6.0759 1.9320 C 0 0 0 0 0 0 0 0 0 0.3489 6.6598 2.9518 O 0 0 0 0 0 0 0 0 0 0.8375 6.3143 0.6693 C 0 0 1 0 0 0 0 0 0 2.1875 5.6013 0.7677 C 0 0 0 0 0 0 0 0 0 0.0581 5.7675 -0.5285 C 0 0 0 0 0 0 0 0 0 -1.2541 6.4240 -0.5999 N 0 0 0 0 0 0 0 0 0 -1.0593 7.6774 -1.3408 C 0 0 0 0 0 0 0 0 0 -2.1090 5.5689 -1.4341 C 0 0 0 0 0 0 0 0 0 -2.6670 7.0690 2.0359 C 0 0 0 0 0 0 0 0 0 -1.7466 7.8557 1.9404 O 0 0 0 0 0 0 0 0 0 -3.9259 7.5213 2.1946 O 0 0 0 0 0 0 0 0 0 0.1602 3.3826 1.8302 H 0 0 0 0 0 0 0 0 0 -1.7348 1.8163 1.8280 H 0 0 0 0 0 0 0 0 0 -4.0415 2.6568 1.9164 H 0 0 0 0 0 0 0 0 0 -4.4823 5.0741 2.0124 H 0 0 0 0 0 0 0 0 0 1.0002 7.3841 0.5391 H 0 0 0 0 0 0 0 0 0 2.7919 5.8452 -0.1061 H 0 0 0 0 0 0 0 0 0 2.7054 5.9266 1.6699 H 0 0 0 0 0 0 0 0 0 2.0273 4.5239 0.8094 H 0 0 0 0 0 0 0 0 0 0.6140 5.9658 -1.4449 H 0 0 0 0 0 0 0 0 0 -0.0793 4.6924 -0.4124 H 0 0 0 0 0 0 0 0 0 -1.9907 8.2435 -1.3482 H 0 0 0 0 0 0 0 0 0 -0.2795 8.2670 -0.8587 H 0 0 0 0 0 0 0 0 0 -0.7631 7.4516 -2.3652 H 0 0 0 0 0 0 0 0 0 -1.6689 5.4731 -2.4267 H 0 0 0 0 0 0 0 0 0 -2.1931 4.5829 -0.9771 H 0 0 0 0 0 0 0 0 0 -3.0995 6.0164 -1.5174 H 0 0 0 0 0 0 0 0 0 -4.0968 8.4724 2.2324 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 4 15 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 11 1 6 0 0 0 9 10 1 1 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 34 1 0 0 0 0 M END > 22992 > K $$$$ 24048 1016 111283D 24048 42 45 0 2 V2000 -0.6246 5.5710 1.8291 O 0 0 0 0 0 0 0 0 0 0.1503 1.2765 -0.0480 N 0 0 0 0 0 0 0 0 0 -1.6498 5.1418 1.3197 C 0 3 0 0 0 0 0 0 0 -2.1165 3.7482 1.3462 C 0 3 0 0 0 0 0 0 0 -1.5864 2.5864 1.9095 C 0 0 0 0 0 0 0 0 0 -2.2645 1.3754 1.7740 C 0 0 0 0 0 0 0 0 0 -2.6426 5.9255 0.5732 C 0 3 0 0 0 0 0 0 0 -2.7220 7.2805 0.2411 C 0 0 0 0 0 0 0 0 0 -3.8016 7.7524 -0.4903 C 0 0 0 0 0 0 0 0 0 -3.4666 1.3246 1.0785 C 0 0 0 0 0 0 0 0 0 -3.3333 3.6937 0.6438 C 0 3 0 0 0 0 0 0 0 -3.6597 5.0447 0.1643 C 0 3 0 0 0 0 0 0 0 -4.8033 6.8863 -0.8929 C 0 0 0 0 0 0 0 0 0 -4.0002 2.4738 0.5160 C 0 0 0 0 0 0 0 0 0 -4.7388 5.5382 -0.5705 C 0 0 0 0 0 0 0 0 0 1.2640 1.9843 0.0298 C 0 0 0 0 0 0 0 0 0 2.4439 1.4005 0.4549 C 0 0 0 0 0 0 0 0 0 2.4479 0.0565 0.8006 C 0 0 0 0 0 0 0 0 0 1.2605 -0.6546 0.7060 C 0 0 0 0 0 0 0 0 0 0.1186 -0.0053 0.2727 C 0 0 0 0 0 0 0 0 0 -1.7366 0.2159 2.3352 N 0 0 0 0 0 0 0 0 0 -1.1889 0.2421 3.6933 C 0 0 0 0 0 0 0 0 0 -1.7279 -1.0324 1.5684 C 0 0 0 0 0 0 0 0 0 -1.1763 -0.7654 0.1654 C 0 0 0 0 0 0 0 0 0 -0.6542 2.6256 2.4477 H 0 0 0 0 0 0 0 0 0 -1.9454 7.9582 0.5530 H 0 0 0 0 0 0 0 0 0 -3.8616 8.7972 -0.7455 H 0 0 0 0 0 0 0 0 0 -3.9874 0.3869 0.9761 H 0 0 0 0 0 0 0 0 0 -5.6385 7.2616 -1.4605 H 0 0 0 0 0 0 0 0 0 -4.9320 2.4257 -0.0215 H 0 0 0 0 0 0 0 0 0 -5.5220 4.8713 -0.8884 H 0 0 0 0 0 0 0 0 0 1.2511 3.0258 -0.2407 H 0 0 0 0 0 0 0 0 0 3.3479 1.9830 0.5161 H 0 0 0 0 0 0 0 0 0 3.3530 -0.4240 1.1346 H 0 0 0 0 0 0 0 0 0 1.2274 -1.6994 0.9658 H 0 0 0 0 0 0 0 0 0 -1.3621 1.2228 4.1362 H 0 0 0 0 0 0 0 0 0 -1.6790 -0.5203 4.2989 H 0 0 0 0 0 0 0 0 0 -0.1178 0.0441 3.6585 H 0 0 0 0 0 0 0 0 0 -1.0981 -1.7657 2.0717 H 0 0 0 0 0 0 0 0 0 -2.7438 -1.4191 1.4907 H 0 0 0 0 0 0 0 0 0 -1.8972 -0.1778 -0.4021 H 0 0 0 0 0 0 0 0 0 -0.9998 -1.7129 -0.3423 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 20 1 0 0 0 0 2 16 2 0 0 0 0 3 4 4 0 0 0 0 3 7 4 0 0 0 0 4 11 4 0 0 0 0 4 5 4 0 0 0 0 5 6 4 0 0 0 0 5 25 1 0 0 0 0 6 21 1 0 0 0 0 6 10 4 0 0 0 0 7 12 4 0 0 0 0 7 8 4 0 0 0 0 8 9 4 0 0 0 0 8 26 1 0 0 0 0 9 13 4 0 0 0 0 9 27 1 0 0 0 0 10 14 4 0 0 0 0 10 28 1 0 0 0 0 11 12 4 0 0 0 0 11 14 4 0 0 0 0 12 15 4 0 0 0 0 13 15 4 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 5 3 1 4 1 7 1 11 1 12 1 M END > 24048 > K $$$$ 24113 1016 111283D 24113 46 49 0 1 V2000 -0.3369 3.1328 0.0727 Cl 0 0 0 0 0 0 0 0 0 -1.3007 5.9841 1.4411 N 0 0 0 0 0 0 0 0 0 0.0698 8.6886 0.8541 S 0 0 0 0 0 0 0 0 0 -2.4686 11.9881 2.0976 C 0 0 0 0 0 0 0 0 0 -1.7374 10.8663 1.7284 C 0 0 0 0 0 0 0 0 0 -3.6919 11.8420 2.7358 C 0 0 0 0 0 0 0 0 0 -4.1796 10.5703 3.0015 C 0 0 0 0 0 0 0 0 0 -2.2159 9.5826 1.9845 C 0 0 0 0 0 0 0 0 0 -3.4454 9.4517 2.6239 C 0 0 0 0 0 0 0 0 0 -1.5014 8.4405 1.6187 C 0 0 0 0 0 0 0 0 0 -3.9341 8.1824 2.8823 C 0 0 0 0 0 0 0 0 0 -1.9770 7.1448 1.8348 C 0 0 0 0 0 0 0 0 0 -3.2095 7.0671 2.4911 C 0 0 0 0 0 0 0 0 0 1.5624 7.1250 -0.6503 C 0 0 0 0 0 0 0 0 0 2.0083 5.9586 -1.2431 C 0 0 0 0 0 0 0 0 0 0.4776 7.0990 0.2161 C 0 0 0 0 0 0 0 0 0 -0.2201 5.9346 0.5500 C 0 0 0 0 0 0 0 0 0 1.3450 4.7826 -0.9460 C 0 0 0 0 0 0 0 0 0 0.2617 4.7680 -0.0753 C 0 0 0 0 0 0 0 0 0 -1.7732 4.7334 2.0123 C 0 0 0 0 0 0 0 0 0 -2.9061 4.1467 1.1533 C 0 0 0 0 0 0 0 0 0 -3.3304 2.7509 1.6142 C 0 0 0 0 0 0 0 0 0 -3.9141 2.7417 2.9558 N 0 0 0 0 0 0 0 0 0 -5.2309 3.3689 3.0548 C 0 0 0 0 0 0 0 0 0 -3.9053 1.4095 3.5549 C 0 0 0 0 0 0 0 0 0 -2.0953 12.9487 1.8936 H 0 0 0 0 0 0 0 0 0 -0.8145 11.0097 1.2502 H 0 0 0 0 0 0 0 0 0 -4.2460 12.6896 3.0162 H 0 0 0 0 0 0 0 0 0 -5.1046 10.4605 3.4882 H 0 0 0 0 0 0 0 0 0 -4.8545 8.0579 3.3739 H 0 0 0 0 0 0 0 0 0 -3.6472 6.1462 2.7190 H 0 0 0 0 0 0 0 0 0 2.0479 8.0331 -0.8585 H 0 0 0 0 0 0 0 0 0 2.8273 5.9641 -1.9010 H 0 0 0 0 0 0 0 0 0 1.6695 3.8867 -1.3888 H 0 0 0 0 0 0 0 0 0 -0.9591 4.0391 2.1403 H 0 0 0 0 0 0 0 0 0 -2.1189 4.8623 3.0277 H 0 0 0 0 0 0 0 0 0 -3.7631 4.7997 1.1481 H 0 0 0 0 0 0 0 0 0 -2.5857 4.0835 0.1257 H 0 0 0 0 0 0 0 0 0 -4.0428 2.3492 0.9066 H 0 0 0 0 0 0 0 0 0 -2.4516 2.1208 1.5914 H 0 0 0 0 0 0 0 0 0 -5.1917 4.3993 2.7366 H 0 0 0 0 0 0 0 0 0 -5.9473 2.8408 2.4408 H 0 0 0 0 0 0 0 0 0 -5.5718 3.3535 4.0803 H 0 0 0 0 0 0 0 0 0 -4.2734 1.4541 4.5700 H 0 0 0 0 0 0 0 0 0 -4.5277 0.7335 2.9846 H 0 0 0 0 0 0 0 0 0 -2.8970 1.0211 3.5803 H 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 17 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 5 8 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END > 24113 > K $$$$ 24559 1016 111283D 24559 152159 1 1 V2000 6.5171 -12.2889 -21.9615 O 0 0 0 0 0 0 0 0 0 7.5763 -12.9536 -21.2977 C 0 0 1 0 0 0 0 0 0 7.4439 -14.4775 -21.4509 C 0 0 1 0 0 0 0 0 0 6.0933 -14.8858 -20.8549 C 0 0 1 0 0 0 0 0 0 4.9867 -14.1360 -21.5946 C 0 0 0 0 0 0 0 0 0 5.2456 -12.6370 -21.4564 C 0 0 1 0 0 0 0 0 0 5.9151 -16.2844 -20.9476 O 0 0 0 0 0 0 0 0 0 8.8801 -12.4286 -21.8908 C 0 0 0 0 0 0 0 0 0 5.2578 -12.3115 -20.0797 O 0 0 0 0 0 0 0 0 0 3.0517 -9.3058 -19.5874 C 0 0 1 0 0 0 0 0 0 2.8632 -9.4366 -18.1905 O 0 0 0 0 0 0 0 0 0 2.8570 -10.7662 -17.7048 C 0 0 1 0 0 0 0 0 0 4.1316 -11.5222 -18.1052 C 0 0 1 0 0 0 0 0 0 4.1623 -11.5326 -19.6364 C 0 0 1 0 0 0 0 0 0 4.2668 -10.0788 -20.0971 C 0 0 0 0 0 0 0 0 0 5.3043 -10.8989 -17.6152 O 0 0 0 0 0 0 0 0 0 2.6604 -10.6794 -16.1943 C 0 0 0 0 0 0 0 0 0 0.5204 -7.8071 -20.3219 C 0 0 0 0 0 0 0 0 0 -0.5877 -7.1086 -19.8518 C 0 0 0 0 0 0 0 0 0 -1.4728 -7.7025 -18.9423 C 0 0 0 0 0 0 0 0 0 -1.2282 -9.0235 -18.5600 C 0 0 0 0 0 0 0 0 0 -0.1122 -9.7084 -19.0203 C 0 0 0 0 0 0 0 0 0 0.7867 -9.0966 -19.8775 C 0 0 0 0 0 0 0 0 0 -2.5827 -7.0515 -18.3952 C 0 0 0 0 0 0 0 0 0 -3.4399 -7.7152 -17.5124 C 0 0 0 0 0 0 0 0 0 -3.2118 -9.0522 -17.2000 C 0 0 0 0 0 0 0 0 0 -2.0943 -9.6945 -17.7082 C 0 0 0 0 0 0 0 0 0 -4.6353 -7.0516 -16.8621 C 0 0 0 0 0 0 0 0 0 -5.5882 -7.8498 -16.0150 C 0 0 1 0 0 0 0 0 0 -5.5882 -9.3055 -16.4908 C 0 0 1 0 0 0 0 0 0 -4.1568 -9.8273 -16.3160 C 0 0 0 0 0 0 0 0 0 -4.8777 -5.8747 -16.9879 O 0 0 0 0 0 0 0 0 0 -2.8163 -5.7589 -18.7436 O 0 0 0 0 0 0 0 0 0 -0.6763 -5.8537 -20.3750 O 0 0 0 0 0 0 0 0 0 -6.7039 -10.1198 -15.8178 C 0 0 1 0 0 0 0 0 0 -6.8871 -11.4678 -16.4734 C 0 0 0 0 0 0 0 0 0 -8.2033 -11.9727 -17.0148 C 0 0 1 0 0 0 0 0 0 -9.4758 -11.1842 -16.6667 C 0 0 1 0 0 0 0 0 0 -5.9222 -12.1896 -16.5703 O 0 0 0 0 0 0 0 0 0 -9.7336 -9.9930 -17.5943 C 0 0 0 0 0 0 0 0 0 -10.5967 -12.0372 -16.7649 O 0 0 0 0 0 0 0 0 0 -8.1556 -12.1870 -18.4145 O 0 0 0 0 0 0 0 0 0 -6.6375 -10.1473 -14.4028 O 0 0 0 0 0 0 0 0 0 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0 0 0 0 35 36 1 6 0 0 0 35105 1 1 0 0 0 36 39 2 0 0 0 0 36 37 1 0 0 0 0 37 42 1 6 0 0 0 37 38 1 0 0 0 0 37106 1 1 0 0 0 38 41 1 6 0 0 0 38 40 1 0 0 0 0 38107 1 1 0 0 0 40108 1 0 0 0 0 40109 1 0 0 0 0 40110 1 0 0 0 0 41111 1 0 0 0 0 42112 1 0 0 0 0 43 44 1 0 0 0 0 44113 1 0 0 0 0 44114 1 0 0 0 0 44115 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 46 47 1 1 0 0 0 46 52 1 0 0 0 0 46116 1 6 0 0 0 47 73 1 1 0 0 0 47 48 1 0 0 0 0 47117 1 0 0 0 0 48 51 1 1 0 0 0 48 49 1 0 0 0 0 48118 1 6 0 0 0 49 50 1 0 0 0 0 49119 1 0 0 0 0 49120 1 0 0 0 0 50 53 1 6 0 0 0 50121 1 0 0 0 0 51 67 1 0 0 0 0 52122 1 0 0 0 0 52123 1 0 0 0 0 52124 1 0 0 0 0 53 58 1 0 0 0 0 54 61 1 0 0 0 0 54 55 1 6 0 0 0 54 59 1 1 0 0 0 54125 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 1 0 0 0 56 60 1 6 0 0 0 56126 1 0 0 0 0 57 74 1 6 0 0 0 57 58 1 1 0 0 0 57127 1 0 0 0 0 58 59 1 6 0 0 0 58128 1 1 0 0 0 59129 1 0 0 0 0 59130 1 0 0 0 0 60131 1 0 0 0 0 60132 1 0 0 0 0 60133 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 63 64 1 1 0 0 0 63 68 1 6 0 0 0 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1.7667 C 0 0 1 0 0 0 0 0 0 -1.4560 -5.3556 0.7733 C 0 0 0 0 0 0 0 0 0 -0.8065 -7.5513 0.0775 C 0 0 0 0 0 0 0 0 0 -1.5729 -3.8802 0.4454 C 0 0 1 0 0 0 0 0 0 -1.9962 -1.6553 1.8492 C 0 0 0 0 0 0 0 0 0 -0.9347 -6.2004 -0.2025 C 0 0 0 0 0 0 0 0 0 -0.4538 -9.6853 0.0655 C 0 0 0 0 0 0 0 0 0 -2.6426 -3.5734 -0.5866 C 0 0 0 0 0 0 0 0 0 -3.8007 -4.3326 -0.7275 C 0 0 0 0 0 0 0 0 0 -2.4571 -2.4869 -1.4331 C 0 0 0 0 0 0 0 0 0 -4.7416 -4.0298 -1.7102 C 0 0 0 0 0 0 0 0 0 -3.3803 -2.1710 -2.4255 C 0 0 0 0 0 0 0 0 0 -4.5252 -2.9499 -2.5642 C 0 0 0 0 0 0 0 0 0 -3.2112 -1.1150 -3.2774 O 0 0 0 0 0 0 0 0 0 -1.8900 -0.6949 -3.5601 C 0 0 0 0 0 0 0 0 0 -2.1125 -7.7163 3.4920 O 0 0 0 0 0 0 0 0 0 -5.4194 -2.6341 -3.5439 O 0 0 0 0 0 0 0 0 0 -5.8886 -4.7517 -1.8916 O 0 0 0 0 0 0 0 0 0 -6.4480 -5.4069 -0.7694 C 0 0 0 0 0 0 0 0 0 -2.2313 -2.5852 4.3922 H 0 0 0 0 0 0 0 0 0 -3.9676 -2.5521 4.0920 H 0 0 0 0 0 0 0 0 0 -3.2865 -5.4989 3.5594 H 0 0 0 0 0 0 0 0 0 -1.6637 -4.9102 3.8659 H 0 0 0 0 0 0 0 0 0 -0.6319 -3.5847 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1 0 0 0 0 16 20 1 6 0 0 0 16 36 1 1 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 30 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M END > 24817 > K $$$$ 24818 1016 111283D 24818 52 56 1 1 V2000 -0.8789 0.7109 2.2115 O 0 0 0 0 0 0 0 0 0 -0.4676 -0.5579 4.1606 O 0 0 0 0 0 0 0 0 0 -6.0966 -2.3283 2.3541 H 0 0 0 0 0 0 0 0 0 -4.4742 -4.6857 1.3232 H 0 0 0 0 0 0 0 0 0 -7.1617 -4.8255 1.3550 O 0 0 0 0 0 0 0 0 0 -7.5042 -3.0344 0.0258 O 0 0 0 0 0 0 0 0 0 -4.1001 -3.7864 3.2325 C 0 0 2 0 0 0 0 0 0 -5.0414 -4.1897 2.0982 C 0 0 1 0 0 0 0 0 0 -6.2459 -5.0747 2.4070 C 0 0 0 0 0 0 0 0 0 -3.2868 -2.5529 2.8847 C 0 0 0 0 0 0 0 0 0 -2.2611 -2.1799 3.7495 C 0 0 0 0 0 0 0 0 0 -1.4956 -1.0647 3.4492 C 0 0 0 0 0 0 0 0 0 -5.6998 -2.9362 1.5526 C 0 0 1 0 0 0 0 0 0 -3.5391 -1.7887 1.7365 C 0 0 0 0 0 0 0 0 0 -1.7367 -0.3252 2.3162 C 0 0 0 0 0 0 0 0 0 -4.6540 -2.1344 0.7718 C 0 0 1 0 0 0 0 0 0 -6.8694 -3.5809 0.8945 C 0 0 0 0 0 0 0 0 0 -2.7565 -0.6741 1.4461 C 0 0 0 0 0 0 0 0 0 -0.0660 0.5527 3.3679 C 0 0 0 0 0 0 0 0 0 -4.1370 -2.8150 -0.4803 C 0 0 0 0 0 0 0 0 0 -4.9052 -2.7693 -1.6378 C 0 0 0 0 0 0 0 0 0 -2.9171 -3.4854 -0.5118 C 0 0 0 0 0 0 0 0 0 -2.4461 -4.0659 -1.6859 C 0 0 0 0 0 0 0 0 0 -4.4615 -3.3553 -2.8205 C 0 0 0 0 0 0 0 0 0 -3.2174 -3.9811 -2.8407 C 0 0 0 0 0 0 0 0 0 -5.1857 -3.3554 -3.9819 O 0 0 0 0 0 0 0 0 0 -6.3137 -2.5094 -4.0897 C 0 0 0 0 0 0 0 0 0 -3.2725 -4.9045 3.4635 O 0 0 0 0 0 0 0 0 0 -2.7385 -4.5183 -3.9999 O 0 0 0 0 0 0 0 0 0 -3.3458 -5.7529 -4.3191 C 0 0 0 0 0 0 0 0 0 -1.2522 -4.7267 -1.7829 O 0 0 0 0 0 0 0 0 0 -0.4828 -4.9675 -0.6221 C 0 0 0 0 0 0 0 0 0 -4.6887 -3.5652 4.1133 H 0 0 0 0 0 0 0 0 0 -6.6994 -4.7961 3.3484 H 0 0 0 0 0 0 0 0 0 -5.9599 -6.1173 2.4408 H 0 0 0 0 0 0 0 0 0 -2.0572 -2.7259 4.6221 H 0 0 0 0 0 0 0 0 0 -5.1298 -1.2118 0.4681 H 0 0 0 0 0 0 0 0 0 -2.9281 -0.0991 0.5838 H 0 0 0 0 0 0 0 0 0 0.9611 0.4112 3.0600 H 0 0 0 0 0 0 0 0 0 -0.1204 1.4520 3.9659 H 0 0 0 0 0 0 0 0 0 -5.8345 -2.2827 -1.6131 H 0 0 0 0 0 0 0 0 0 -2.3401 -3.5541 0.3611 H 0 0 0 0 0 0 0 0 0 -6.6753 -2.5431 -5.1074 H 0 0 0 0 0 0 0 0 0 -7.1033 -2.8455 -3.4329 H 0 0 0 0 0 0 0 0 0 -6.0465 -1.4878 -3.8582 H 0 0 0 0 0 0 0 0 0 -2.8407 -4.8267 4.3087 H 0 0 0 0 0 0 0 0 0 -4.4136 -5.6421 -4.4447 H 0 0 0 0 0 0 0 0 0 -2.9236 -6.1127 -5.2461 H 0 0 0 0 0 0 0 0 0 -3.1424 -6.4794 -3.5446 H 0 0 0 0 0 0 0 0 0 0.3780 -5.5545 -0.9081 H 0 0 0 0 0 0 0 0 0 -0.1376 -4.0373 -0.1944 H 0 0 0 0 0 0 0 0 0 -1.0501 -5.5264 0.1088 H 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 7 28 1 6 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 1 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 15 2 0 0 0 0 13 17 1 0 0 0 0 13 16 1 6 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 6 0 0 0 16 37 1 1 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 31 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END > 24818 > K $$$$ 24819 1016 111283D 24819 52 56 1 1 V2000 -5.1456 -6.4761 -7.1014 O 0 0 0 0 0 0 0 0 0 -3.2258 -6.2481 -8.4520 O 0 0 0 0 0 0 0 0 0 -1.6679 -1.8417 -4.1114 H 0 0 0 0 0 0 0 0 0 -3.9039 -0.6553 -5.7977 H 0 0 0 0 0 0 0 0 0 -2.2745 0.7796 -3.9137 O 0 0 0 0 0 0 0 0 0 -4.4130 0.4693 -3.2640 O 0 0 0 0 0 0 0 0 0 -2.4570 -4.1668 -7.3868 C 0 0 0 0 0 0 0 0 0 -2.7469 -3.2272 -6.4016 C 0 0 0 0 0 0 0 0 0 -1.4701 0.1323 -4.8828 C 0 0 0 0 0 0 0 0 0 -2.0260 -1.2863 -4.9678 C 0 0 2 0 0 0 0 0 0 -1.7799 -2.0750 -6.2511 C 0 0 0 0 0 0 0 0 0 -3.3237 -5.2383 -7.5587 C 0 0 0 0 0 0 0 0 0 -3.5204 -1.0354 -4.8610 C 0 0 2 0 0 0 0 0 0 -3.8894 -3.3580 -5.6003 C 0 0 0 0 0 0 0 0 0 -4.4429 -5.3721 -6.7721 C 0 0 0 0 0 0 0 0 0 -3.4688 0.1306 -3.9348 C 0 0 0 0 0 0 0 0 0 -4.2374 -2.3478 -4.5209 C 0 0 1 0 0 0 0 0 0 -4.7402 -4.4445 -5.7860 C 0 0 0 0 0 0 0 0 0 -4.3650 -7.0427 -8.1464 C 0 0 0 0 0 0 0 0 0 -3.9518 -2.8648 -3.1242 C 0 0 0 0 0 0 0 0 0 -4.6616 -2.3540 -2.0427 C 0 0 0 0 0 0 0 0 0 -2.9921 -3.8446 -2.8895 C 0 0 0 0 0 0 0 0 0 -2.7474 -4.3257 -1.6069 C 0 0 0 0 0 0 0 0 0 -4.4319 -2.8161 -0.7493 C 0 0 0 0 0 0 0 0 0 -3.4804 -3.8111 -0.5424 C 0 0 0 0 0 0 0 0 0 -5.0925 -2.3409 0.3502 O 0 0 0 0 0 0 0 0 0 -6.3249 -1.6692 0.1771 C 0 0 0 0 0 0 0 0 0 -1.3388 -4.0049 -8.1450 O 0 0 0 0 0 0 0 0 0 -3.2609 -4.2907 0.7146 O 0 0 0 0 0 0 0 0 0 -2.4036 -3.4401 1.4463 C 0 0 0 0 0 0 0 0 0 -1.8166 -5.2891 -1.3289 O 0 0 0 0 0 0 0 0 0 -0.8584 -5.6264 -2.3121 C 0 0 0 0 0 0 0 0 0 -1.5767 0.6382 -5.8331 H 0 0 0 0 0 0 0 0 0 -0.4279 0.1255 -4.5946 H 0 0 0 0 0 0 0 0 0 -0.7595 -2.4316 -6.2563 H 0 0 0 0 0 0 0 0 0 -1.9203 -1.4211 -7.1003 H 0 0 0 0 0 0 0 0 0 -5.2984 -2.1464 -4.5809 H 0 0 0 0 0 0 0 0 0 -5.5984 -4.5693 -5.1933 H 0 0 0 0 0 0 0 0 0 -4.0356 -8.0275 -7.8438 H 0 0 0 0 0 0 0 0 0 -4.9761 -7.1480 -9.0327 H 0 0 0 0 0 0 0 0 0 -5.3810 -1.6078 -2.2071 H 0 0 0 0 0 0 0 0 0 -2.4429 -4.2305 -3.6940 H 0 0 0 0 0 0 0 0 0 -6.7911 -1.5735 1.1472 H 0 0 0 0 0 0 0 0 0 -6.1622 -0.6811 -0.2278 H 0 0 0 0 0 0 0 0 0 -6.9931 -2.2266 -0.4649 H 0 0 0 0 0 0 0 0 0 -1.2741 -4.7161 -8.7772 H 0 0 0 0 0 0 0 0 0 -2.8352 -2.4549 1.5590 H 0 0 0 0 0 0 0 0 0 -2.2538 -3.8681 2.4262 H 0 0 0 0 0 0 0 0 0 -1.4445 -3.3621 0.9529 H 0 0 0 0 0 0 0 0 0 -0.1199 -6.2741 -1.8623 H 0 0 0 0 0 0 0 0 0 -1.3290 -6.1545 -3.1285 H 0 0 0 0 0 0 0 0 0 -0.3564 -4.7428 -2.6808 H 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 7 28 1 0 0 0 0 7 12 1 0 0 0 0 7 8 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 1 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 6 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 18 1 0 0 0 0 17 20 1 6 0 0 0 17 37 1 1 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 31 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END > 24819 > K $$$$ 25149 1016 111283D 25149 52 54 1 1 V2000 4.1915 0.6909 2.2921 H 0 0 0 0 0 0 0 0 0 1.9397 1.1879 1.9271 H 0 0 0 0 0 0 0 0 0 -0.3316 1.3346 0.5100 C 0 0 0 0 0 0 0 0 0 -0.3079 -0.1176 0.1021 C 0 0 0 0 0 0 0 0 0 0.9933 2.0512 0.2427 C 0 0 0 0 0 0 0 0 0 0.8562 -0.7798 0.0083 C 0 0 0 0 0 0 0 0 0 2.1708 1.2937 0.8760 C 0 0 1 0 0 0 0 0 0 2.1691 -0.1194 0.3391 C 0 0 0 0 0 0 0 0 0 3.5435 2.0083 0.7847 C 0 0 1 0 0 0 0 0 0 3.5069 3.2552 1.6886 C 0 0 0 0 0 0 0 0 0 4.8834 3.8862 1.9033 C 0 0 0 0 0 0 0 0 0 3.3043 -0.8097 0.1517 C 0 0 0 0 0 0 0 0 0 4.5983 1.0196 1.3443 C 0 0 1 0 0 0 0 0 0 5.8231 2.8690 2.5492 C 0 0 0 0 0 0 0 0 0 4.6603 -0.2408 0.4676 C 0 0 0 0 0 0 0 0 0 5.9927 1.5945 1.7083 C 0 0 1 0 0 0 0 0 0 6.7340 0.6387 2.6119 C 0 0 0 0 0 0 0 0 0 6.2136 -0.4147 3.0044 O 0 0 0 0 0 0 0 0 0 7.9958 0.9320 3.0100 O 0 0 0 0 0 0 0 0 0 6.9455 1.8612 0.5305 C 0 0 0 0 0 0 0 0 0 3.7978 2.4437 -0.6704 C 0 0 0 0 0 0 0 0 0 -1.5990 -0.8382 -0.2044 C 0 0 0 0 0 0 0 0 0 -2.6953 -0.5375 0.8196 C 0 0 0 0 0 0 0 0 0 -2.0725 -0.4778 -1.6132 C 0 0 0 0 0 0 0 0 0 -1.1133 1.8526 -0.0260 H 0 0 0 0 0 0 0 0 0 -0.5481 1.3849 1.5670 H 0 0 0 0 0 0 0 0 0 1.1288 2.1133 -0.8275 H 0 0 0 0 0 0 0 0 0 0.9285 3.0508 0.6458 H 0 0 0 0 0 0 0 0 0 0.8547 -1.7831 -0.3044 H 0 0 0 0 0 0 0 0 0 2.8492 4.0028 1.2693 H 0 0 0 0 0 0 0 0 0 3.1204 2.9803 2.6606 H 0 0 0 0 0 0 0 0 0 5.2900 4.2345 0.9657 H 0 0 0 0 0 0 0 0 0 4.7817 4.7337 2.5660 H 0 0 0 0 0 0 0 0 0 3.2518 -1.7856 -0.2345 H 0 0 0 0 0 0 0 0 0 6.7855 3.3324 2.7177 H 0 0 0 0 0 0 0 0 0 5.4067 2.6061 3.5124 H 0 0 0 0 0 0 0 0 0 5.2376 -1.0072 0.9631 H 0 0 0 0 0 0 0 0 0 5.1407 -0.0122 -0.4718 H 0 0 0 0 0 0 0 0 0 8.2922 0.2128 3.5554 H 0 0 0 0 0 0 0 0 0 6.5975 2.6564 -0.1047 H 0 0 0 0 0 0 0 0 0 7.9138 2.1635 0.9044 H 0 0 0 0 0 0 0 0 0 7.0818 0.9689 -0.0625 H 0 0 0 0 0 0 0 0 0 3.0498 3.1577 -0.9811 H 0 0 0 0 0 0 0 0 0 4.7486 2.9295 -0.7881 H 0 0 0 0 0 0 0 0 0 3.7565 1.5961 -1.3381 H 0 0 0 0 0 0 0 0 0 -1.4250 -1.9055 -0.1771 H 0 0 0 0 0 0 0 0 0 -3.5741 -1.1250 0.5928 H 0 0 0 0 0 0 0 0 0 -2.3508 -0.7951 1.8105 H 0 0 0 0 0 0 0 0 0 -2.9611 0.5093 0.7957 H 0 0 0 0 0 0 0 0 0 -1.3142 -0.7454 -2.3347 H 0 0 0 0 0 0 0 0 0 -2.9793 -1.0173 -1.8448 H 0 0 0 0 0 0 0 0 0 -2.2675 0.5825 -1.6840 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 6 0 0 0 8 12 2 0 0 0 0 9 13 1 1 0 0 0 9 10 1 0 0 0 0 9 21 1 6 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 1 0 0 0 13 15 1 6 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 1 0 0 0 16 20 1 6 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M END > 25149 > K $$$$ 26040 1016 111283D 26040 48 50 1 1 V2000 0.0105 1.3358 2.5333 N 0 0 0 0 0 0 0 0 0 -4.4566 7.4383 12.5245 Cl 0 0 0 0 0 0 0 0 0 -3.9914 5.7547 8.9314 C 0 0 0 0 0 0 0 0 0 -2.7195 6.1918 8.5622 C 0 0 0 0 0 0 0 0 0 -4.5214 6.1399 10.1517 C 0 0 0 0 0 0 0 0 0 -3.7869 6.9576 10.9971 C 0 0 0 0 0 0 0 0 0 -1.9835 7.0135 9.4145 C 0 0 0 0 0 0 0 0 0 -2.5223 7.3945 10.6335 C 0 0 0 0 0 0 0 0 0 -3.0199 3.7591 4.2860 C 0 0 0 0 0 0 0 0 0 -2.2847 4.5815 5.1382 C 0 0 0 0 0 0 0 0 0 -2.4810 3.3789 3.0672 C 0 0 0 0 0 0 0 0 0 -1.0127 5.0183 4.7687 C 0 0 0 0 0 0 0 0 0 -1.2163 3.8150 2.7031 C 0 0 0 0 0 0 0 0 0 -0.4823 4.6316 3.5493 C 0 0 0 0 0 0 0 0 0 1.4616 1.5025 2.4094 C 0 0 0 0 0 0 0 0 0 2.1555 0.9604 3.6609 C 0 0 0 0 0 0 0 0 0 1.8499 -0.5349 3.7989 C 0 0 0 0 0 0 0 0 0 0.3305 -0.7335 3.8095 C 0 0 0 0 0 0 0 0 0 -0.2682 -0.1027 2.5499 C 0 0 0 0 0 0 0 0 0 -0.5848 1.8696 1.3031 C 0 0 0 0 0 0 0 0 0 -0.6362 3.3983 1.3772 C 0 0 1 0 0 0 0 0 0 -1.4527 3.8987 0.3219 O 0 0 0 0 0 0 0 0 0 -2.8574 4.9911 6.4411 C 0 0 0 0 0 0 0 0 0 -2.1469 5.7824 7.2591 C 0 0 0 0 0 0 0 0 0 -4.5646 5.1246 8.2782 H 0 0 0 0 0 0 0 0 0 -5.4993 5.8063 10.4406 H 0 0 0 0 0 0 0 0 0 -1.0035 7.3529 9.1342 H 0 0 0 0 0 0 0 0 0 -1.9605 8.0268 11.2938 H 0 0 0 0 0 0 0 0 0 -3.9985 3.4168 4.5674 H 0 0 0 0 0 0 0 0 0 -3.0423 2.7467 2.4064 H 0 0 0 0 0 0 0 0 0 -0.4410 5.6516 5.4200 H 0 0 0 0 0 0 0 0 0 0.4957 4.9646 3.2601 H 0 0 0 0 0 0 0 0 0 1.8134 0.9550 1.5349 H 0 0 0 0 0 0 0 0 0 1.6981 2.5583 2.2932 H 0 0 0 0 0 0 0 0 0 3.2307 1.1052 3.5721 H 0 0 0 0 0 0 0 0 0 1.7866 1.4893 4.5384 H 0 0 0 0 0 0 0 0 0 2.2821 -1.0745 2.9572 H 0 0 0 0 0 0 0 0 0 2.2726 -0.9088 4.7299 H 0 0 0 0 0 0 0 0 0 0.1028 -1.7977 3.8267 H 0 0 0 0 0 0 0 0 0 -0.0927 -0.2547 4.6913 H 0 0 0 0 0 0 0 0 0 -1.3446 -0.2650 2.5406 H 0 0 0 0 0 0 0 0 0 0.1746 -0.5657 1.6682 H 0 0 0 0 0 0 0 0 0 0.0193 1.5688 0.4478 H 0 0 0 0 0 0 0 0 0 -1.5951 1.4791 1.1878 H 0 0 0 0 0 0 0 0 0 0.3723 3.7990 1.2814 H 0 0 0 0 0 0 0 0 0 -2.3326 3.5225 0.4421 H 0 0 0 0 0 0 0 0 0 -3.8357 4.6531 6.7228 H 0 0 0 0 0 0 0 0 0 -1.1686 6.1204 6.9775 H 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 4 24 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 23 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 21 1 0 0 0 0 13 14 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 6 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 M END > 26040 > K $$$$ 26045 1016 111283D 26045 16 17 0 1 V2000 0.9094 -4.4263 -0.0292 Cl 0 0 0 0 0 0 0 0 0 -2.6905 -0.3716 0.0249 Cl 0 0 0 0 0 0 0 0 0 -0.0298 1.3553 0.0084 N 0 0 0 0 0 0 0 0 0 -0.8363 1.8944 0.0181 H 0 0 0 0 0 0 0 0 0 3.4147 0.7513 -0.0259 O 0 0 0 0 0 0 0 0 0 1.4790 3.0522 0.0040 O 0 0 0 0 0 0 0 0 0 -1.0374 -0.9145 0.0067 C 0 0 0 0 0 0 0 0 0 -0.7429 -2.2742 -0.0028 C 0 0 0 0 0 0 0 0 0 0.0136 -0.0070 0.0015 C 0 0 0 0 0 0 0 0 0 1.3213 -0.4607 -0.0130 C 0 0 0 0 0 0 0 0 0 0.5766 -2.7188 -0.0175 C 0 0 0 0 0 0 0 0 0 1.6308 -1.8121 -0.0227 C 0 0 0 0 0 0 0 0 0 2.2054 0.7337 -0.0149 C 0 0 0 0 0 0 0 0 0 1.2287 1.8710 -0.0001 C 0 0 0 0 0 0 0 0 0 -1.5258 -2.9742 0.0011 H 0 0 0 0 0 0 0 0 0 2.6286 -2.1400 -0.0338 H 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 3 4 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 M END > 26045 > K $$$$ 26273 1016 111283D 26273 44 47 1 2 V2000 13.8281 -5.7932 1.6903 N 0 0 0 0 0 0 0 0 0 14.1354 -5.4548 -0.6202 N 0 0 0 0 0 0 0 0 0 10.9493 -4.1687 0.1222 N 0 5 0 0 0 0 0 0 0 11.9598 -3.2978 -3.7077 O 0 0 0 0 0 0 0 0 0 12.2183 -4.3846 -1.6775 N 0 3 0 0 0 0 0 0 0 12.5976 -5.2194 1.6789 C 0 0 0 0 0 0 0 0 0 12.1131 -4.7609 0.4650 C 0 0 0 0 0 0 0 0 0 12.9075 -4.8976 -0.6510 C 0 0 0 0 0 0 0 0 0 11.0375 -3.9350 -1.2023 C 0 0 0 0 0 0 0 0 0 14.5919 -5.9044 0.5739 C 0 0 0 0 0 0 0 0 0 12.6571 -4.3299 -3.0334 C 0 0 1 0 0 0 0 0 0 12.3181 -5.6476 -3.7245 C 0 0 1 0 0 0 0 0 0 12.2344 -5.1426 -5.1579 C 0 0 1 0 0 0 0 0 0 11.5242 -3.8044 -4.9535 C 0 0 1 0 0 0 0 0 0 11.6448 -5.0645 3.1769 S 0 0 0 0 0 0 0 0 0 12.7221 -5.7181 4.4849 C 0 0 0 0 0 0 0 0 0 13.9648 -4.8800 4.6085 C 0 0 0 0 0 0 0 0 0 13.8632 -3.5414 4.9692 C 0 0 0 0 0 0 0 0 0 15.0051 -2.7602 5.0891 C 0 0 0 0 0 0 0 0 0 16.2551 -3.3148 4.8467 C 0 0 0 0 0 0 0 0 0 16.3611 -4.6507 4.4837 C 0 0 0 0 0 0 0 0 0 15.2181 -5.4310 4.3643 C 0 0 0 0 0 0 0 0 0 9.5902 -4.5953 -6.0996 O 0 0 0 0 0 0 0 0 0 10.0020 -3.9316 -4.9256 C 0 0 0 0 0 0 0 0 0 13.5405 -4.9161 -5.6468 O 0 0 0 0 0 0 0 0 0 13.2992 -6.6408 -3.4963 O 0 0 0 0 0 0 0 0 0 10.2871 -3.4674 -1.7728 H 0 0 0 0 0 0 0 0 0 15.5441 -6.3434 0.6394 H 0 0 0 0 0 0 0 0 0 13.7257 -4.1665 -3.1022 H 0 0 0 0 0 0 0 0 0 11.3465 -5.9861 -3.3911 H 0 0 0 0 0 0 0 0 0 11.6871 -5.8234 -5.7963 H 0 0 0 0 0 0 0 0 0 11.7931 -3.1366 -5.7597 H 0 0 0 0 0 0 0 0 0 12.1810 -5.6985 5.4191 H 0 0 0 0 0 0 0 0 0 12.9737 -6.7417 4.2493 H 0 0 0 0 0 0 0 0 0 12.9196 -3.1166 5.1513 H 0 0 0 0 0 0 0 0 0 14.9226 -1.7494 5.3628 H 0 0 0 0 0 0 0 0 0 17.1187 -2.7240 4.9374 H 0 0 0 0 0 0 0 0 0 17.3058 -5.0713 4.2990 H 0 0 0 0 0 0 0 0 0 15.3053 -6.4403 4.0871 H 0 0 0 0 0 0 0 0 0 8.6367 -4.5895 -6.1394 H 0 0 0 0 0 0 0 0 0 9.6902 -4.4903 -4.0542 H 0 0 0 0 0 0 0 0 0 9.5738 -2.9397 -4.8710 H 0 0 0 0 0 0 0 0 0 13.5012 -4.7361 -6.5825 H 0 0 0 0 0 0 0 0 0 13.0983 -7.4143 -4.0149 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 2 0 0 0 0 2 10 1 0 0 0 0 2 8 2 0 0 0 0 3 9 1 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 9 2 0 0 0 0 5 8 1 0 0 0 0 6 15 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 1 0 0 0 11 29 1 0 0 0 0 12 26 1 1 0 0 0 12 13 1 6 0 0 0 12 30 1 0 0 0 0 13 25 1 1 0 0 0 13 14 1 6 0 0 0 13 31 1 0 0 0 0 14 24 1 6 0 0 0 14 32 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 2 3 -1 5 1 M END > 26273 > K $$$$ 28002 1016 111283D 28002 33 36 0 2 V2000 0.0035 1.3702 0.0065 C 0 0 0 0 0 0 0 0 0 0.0342 -0.0179 0.0044 C 0 0 0 0 0 0 0 0 0 1.1855 2.0936 0.0040 C 0 0 0 0 0 0 0 0 0 2.3953 1.4173 0.0050 C 0 0 0 0 0 0 0 0 0 1.2408 -0.7221 0.0015 C 0 0 0 0 0 0 0 0 0 2.4187 0.0273 0.0096 C 0 0 0 0 0 0 0 0 0 1.3233 -2.1208 -0.0092 C 0 0 0 0 0 0 0 0 0 0.1832 -2.9181 -0.0145 C 0 0 0 0 0 0 0 0 0 3.6498 -0.6086 0.0233 C 0 0 0 0 0 0 0 0 0 2.5619 -2.7708 -0.0158 C 0 0 0 0 0 0 0 0 0 3.7165 -1.9915 0.0211 C 0 0 0 0 0 0 0 0 0 2.6421 -4.1665 -0.0585 C 0 0 0 0 0 0 0 0 0 1.4628 -4.9151 -0.0226 C 0 0 0 0 0 0 0 0 0 1.4752 -6.3096 0.0084 C 0 0 0 0 0 0 0 0 0 0.2892 -7.0288 0.0112 C 0 0 0 0 0 0 0 0 0 -0.9239 -4.9741 -0.0158 C 0 0 0 0 0 0 0 0 0 -0.9236 -6.3605 -0.0049 C 0 0 0 0 0 0 0 0 0 0.2507 -4.2755 -0.0175 N 0 3 0 0 0 0 0 0 0 3.9870 -4.8651 -0.1432 C 0 0 0 0 0 0 0 0 0 -0.9172 1.8769 0.0099 H 0 0 0 0 0 0 0 0 0 -0.8930 -0.5028 0.0049 H 0 0 0 0 0 0 0 0 0 1.1655 3.1445 0.0015 H 0 0 0 0 0 0 0 0 0 3.2923 1.9659 0.0024 H 0 0 0 0 0 0 0 0 0 -0.7639 -2.4664 -0.0149 H 0 0 0 0 0 0 0 0 0 4.5389 -0.0462 0.0356 H 0 0 0 0 0 0 0 0 0 4.6733 -2.4194 0.0494 H 0 0 0 0 0 0 0 0 0 2.3725 -6.8525 0.0316 H 0 0 0 0 0 0 0 0 0 0.3099 -8.0807 0.0254 H 0 0 0 0 0 0 0 0 0 -1.8548 -4.4795 -0.0227 H 0 0 0 0 0 0 0 0 0 -1.8280 -6.8973 -0.0080 H 0 0 0 0 0 0 0 0 0 4.3522 -5.0641 0.8545 H 0 0 0 0 0 0 0 0 0 3.9297 -5.7905 -0.6945 H 0 0 0 0 0 0 0 0 0 4.7185 -4.2810 -0.6788 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 20 1 0 0 0 0 2 5 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 6 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 8 1 0 0 0 0 8 18 2 0 0 0 0 8 24 1 0 0 0 0 9 11 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M CHG 1 18 1 M END > 28002 > K $$$$ 29603 1016 111283D 29603 27 29 0 2 V2000 1.2653 -3.7997 1.4219 N 0 0 0 0 0 0 0 0 0 3.4301 -2.8926 1.1839 N 0 0 0 0 0 0 0 0 0 1.2641 -0.6210 -0.3880 N 0 5 0 0 0 0 0 0 0 3.4566 -0.7690 -0.0323 N 0 3 0 0 0 0 0 0 0 0.6975 -2.7661 0.7579 C 0 0 0 0 0 0 0 0 0 1.5263 -1.7573 0.2901 C 0 0 0 0 0 0 0 0 0 2.8814 -1.8557 0.5171 C 0 0 0 0 0 0 0 0 0 2.4600 -0.0309 -0.5771 C 0 0 0 0 0 0 0 0 0 2.6012 -3.8627 1.6343 C 0 0 0 0 0 0 0 0 0 5.7579 -1.4536 -0.0592 C 0 0 0 0 0 0 0 0 0 7.1078 -1.1252 -0.0717 C 0 0 0 0 0 0 0 0 0 4.7842 -0.4587 -0.0451 C 0 0 0 0 0 0 0 0 0 7.4990 0.2068 -0.0712 C 0 0 0 0 0 0 0 0 0 5.1891 0.8732 -0.0449 C 0 0 0 0 0 0 0 0 0 6.5371 1.2075 -0.0579 C 0 0 0 0 0 0 0 0 0 3.1073 -4.9177 2.3094 N 0 0 0 0 0 0 0 0 0 -0.6429 -2.7431 0.5703 N 0 0 0 0 0 0 0 0 0 2.5820 0.8816 -1.0867 H 0 0 0 0 0 0 0 0 0 5.4787 -2.4654 -0.0641 H 0 0 0 0 0 0 0 0 0 7.8340 -1.8849 -0.0821 H 0 0 0 0 0 0 0 0 0 8.5197 0.4572 -0.0808 H 0 0 0 0 0 0 0 0 0 4.4717 1.6397 -0.0320 H 0 0 0 0 0 0 0 0 0 6.8286 2.2173 -0.0572 H 0 0 0 0 0 0 0 0 0 2.5095 -5.6110 2.6292 H 0 0 0 0 0 0 0 0 0 4.0595 -4.9820 2.4735 H 0 0 0 0 0 0 0 0 0 -1.1961 -3.4619 0.9095 H 0 0 0 0 0 0 0 0 0 -1.0436 -1.9990 0.0925 H 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 2 7 1 0 0 0 0 3 8 2 0 0 0 0 3 6 1 0 0 0 0 4 12 1 0 0 0 0 4 8 1 0 0 0 0 4 7 1 0 0 0 0 5 17 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 M CHG 2 3 -1 4 1 M END > 29603 > K $$$$ 30916 1016 111283D 30916 48 50 1 2 V2000 0.3276 -1.2320 0.6664 O 0 0 0 0 0 0 0 0 0 0.0356 -2.6318 -1.8069 O 0 0 0 0 0 0 0 0 0 0.5072 -3.3324 7.4752 C 0 0 0 0 0 0 0 0 0 0.1967 -4.5136 6.7980 C 0 0 0 0 0 0 0 0 0 0.8027 -3.3706 8.8220 C 0 0 0 0 0 0 0 0 0 0.7922 -4.5759 9.5019 C 0 0 0 0 0 0 0 0 0 0.1876 -5.7259 7.4902 C 0 0 0 0 0 0 0 0 0 0.4850 -5.7497 8.8372 C 0 0 0 0 0 0 0 0 0 -0.9244 -1.7684 0.2372 C 0 0 1 0 0 0 0 0 0 -0.9839 -1.7753 -1.2907 C 0 0 0 0 0 0 0 0 0 1.3471 -2.0886 0.1503 C 0 0 0 0 0 0 0 0 0 1.2876 -2.0954 -1.3777 C 0 0 1 0 0 0 0 0 0 1.0942 -4.5295 -8.5156 C 0 0 0 0 0 0 0 0 0 0.8223 -4.8846 -9.8201 C 0 0 0 0 0 0 0 0 0 2.2547 -4.9973 -7.8954 C 0 0 0 0 0 0 0 0 0 3.1320 -5.8222 -8.6016 C 0 0 0 0 0 0 0 0 0 1.6964 -5.7027 -10.5145 C 0 0 0 0 0 0 0 0 0 2.8478 -6.1697 -9.9062 C 0 0 0 0 0 0 0 0 0 2.5528 -4.6207 -6.4983 C 0 0 0 0 0 0 0 0 0 3.5848 -4.9920 -5.9761 O 0 0 0 0 0 0 0 0 0 1.6801 -3.8654 -5.8035 O 0 0 0 0 0 0 0 0 0 2.0393 -3.4280 -3.9376 H 0 3 0 0 0 0 0 0 0 2.4262 -2.9567 -1.9279 C 0 0 0 0 0 0 0 0 0 -1.0712 -3.1992 0.7591 C 0 0 0 0 0 0 0 0 0 -0.5507 -3.2595 2.7926 H 0 3 0 0 0 0 0 0 0 -0.0674 -3.3156 4.6809 O 0 0 0 0 0 0 0 0 0 -0.1213 -4.4802 5.3558 C 0 0 0 0 0 0 0 0 0 -0.4317 -5.5028 4.7784 O 0 0 0 0 0 0 0 0 0 0.5200 -2.3917 6.9448 H 0 0 0 0 0 0 0 0 0 1.0433 -2.4580 9.3468 H 0 0 0 0 0 0 0 0 0 1.0244 -4.6002 10.5564 H 0 0 0 0 0 0 0 0 0 -0.0522 -6.6430 6.9726 H 0 0 0 0 0 0 0 0 0 0.4783 -6.6869 9.3740 H 0 0 0 0 0 0 0 0 0 -1.7355 -1.1548 0.6293 H 0 0 0 0 0 0 0 0 0 -0.8306 -0.7628 -1.6643 H 0 0 0 0 0 0 0 0 0 -1.9599 -2.1370 -1.6142 H 0 0 0 0 0 0 0 0 0 2.3231 -1.7269 0.4737 H 0 0 0 0 0 0 0 0 0 1.1938 -3.1011 0.5239 H 0 0 0 0 0 0 0 0 0 1.3922 -1.0761 -1.7495 H 0 0 0 0 0 0 0 0 0 0.4135 -3.8877 -7.9762 H 0 0 0 0 0 0 0 0 0 -0.0748 -4.5236 -10.3010 H 0 0 0 0 0 0 0 0 0 4.0314 -6.1872 -8.1280 H 0 0 0 0 0 0 0 0 0 1.4784 -5.9781 -11.5358 H 0 0 0 0 0 0 0 0 0 3.5255 -6.8078 -10.4538 H 0 0 0 0 0 0 0 0 0 3.3646 -2.4066 -1.8579 H 0 0 0 0 0 0 0 0 0 2.4998 -3.8761 -1.3469 H 0 0 0 0 0 0 0 0 0 -2.1041 -3.5257 0.6386 H 0 0 0 0 0 0 0 0 0 -0.4130 -3.8606 0.1958 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 29 1 0 0 0 0 4 27 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 8 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 6 0 0 0 9 24 1 1 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 23 1 0 0 0 0 12 39 1 6 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M CHG 2 22 1 25 1 M END > 30916 > K $$$$ 31702 1016 111283D 31702 35 38 0 1 V2000 -0.0159 1.3428 0.0095 N 0 0 0 0 0 0 0 0 0 -0.0712 4.1260 0.0310 N 0 0 0 0 0 0 0 0 0 -4.2619 1.6365 2.0978 O 0 0 0 0 0 0 0 0 0 0.0386 -2.8053 -0.0175 C 0 0 0 0 0 0 0 0 0 -0.0839 -2.1050 -1.2105 C 0 0 0 0 0 0 0 0 0 0.1434 -2.1175 1.1844 C 0 0 0 0 0 0 0 0 0 0.1254 -0.7289 1.1921 C 0 0 0 0 0 0 0 0 0 -0.1011 -0.7164 -1.2006 C 0 0 0 0 0 0 0 0 0 0.0028 -0.0243 0.0002 C 0 0 0 0 0 0 0 0 0 -2.1708 1.4087 1.0572 C 0 0 0 0 0 0 0 0 0 -3.3064 2.2043 1.6261 C 0 0 0 0 0 0 0 0 0 -1.0930 2.0189 0.5357 C 0 0 0 0 0 0 0 0 0 -3.2569 3.7025 1.6100 C 0 0 0 0 0 0 0 0 0 -1.0573 3.5292 0.5204 C 0 0 0 0 0 0 0 0 0 -2.1951 4.3285 1.0867 C 0 0 0 0 0 0 0 0 0 2.1679 1.4488 -1.0477 C 0 0 0 0 0 0 0 0 0 3.2174 2.1936 -1.5708 C 0 0 0 0 0 0 0 0 0 1.0408 2.0645 -0.5067 C 0 0 0 0 0 0 0 0 0 0.9957 3.4598 -0.4911 C 0 0 0 0 0 0 0 0 0 3.1523 3.5801 -1.5499 C 0 0 0 0 0 0 0 0 0 2.0416 4.2115 -1.0088 C 0 0 0 0 0 0 0 0 0 4.3025 1.5698 -2.1001 N 0 0 0 0 0 0 0 0 0 0.0519 -3.8556 -0.0241 H 0 0 0 0 0 0 0 0 0 -0.1634 -2.6244 -2.1197 H 0 0 0 0 0 0 0 0 0 0.2364 -2.6463 2.0871 H 0 0 0 0 0 0 0 0 0 0.2053 -0.2070 2.1001 H 0 0 0 0 0 0 0 0 0 -0.1936 -0.1847 -2.1017 H 0 0 0 0 0 0 0 0 0 -2.2397 0.3627 1.0767 H 0 0 0 0 0 0 0 0 0 -4.0563 4.2530 2.0097 H 0 0 0 0 0 0 0 0 0 -2.1544 5.3778 1.0704 H 0 0 0 0 0 0 0 0 0 2.2402 0.4030 -1.0674 H 0 0 0 0 0 0 0 0 0 3.9418 4.1504 -1.9426 H 0 0 0 0 0 0 0 0 0 1.9897 5.2602 -0.9897 H 0 0 0 0 0 0 0 0 0 5.0375 2.0870 -2.4669 H 0 0 0 0 0 0 0 0 0 4.3541 0.6006 -2.1172 H 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 1 9 1 0 0 0 0 2 19 1 0 0 0 0 2 14 2 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 22 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END > 31702 > K $$$$ 32065 1016 111283D 32065 9 8 0 1 V2000 -0.0225 1.4084 0.0084 N 0 0 0 0 0 0 0 0 0 -0.0277 -0.0123 0.0023 O 0 0 0 0 0 0 0 0 0 1.1422 2.1042 0.0020 C 0 0 0 0 0 0 0 0 0 2.2077 1.5390 -0.0105 O 0 0 0 0 0 0 0 0 0 1.1235 3.4544 0.0098 N 0 0 0 0 0 0 0 0 0 -0.8541 1.9065 0.0173 H 0 0 0 0 0 0 0 0 0 -0.9193 -0.3488 0.0088 H 0 0 0 0 0 0 0 0 0 0.2846 3.9363 0.0203 H 0 0 0 0 0 0 0 0 0 1.9640 3.9357 0.0046 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 M END > 32065 > K $$$$ 32944 1016 111283D 32944 72 76 1 1 V2000 -2.0929 2.5753 1.3260 H 0 0 0 0 0 0 0 0 0 -1.3191 4.4875 0.9989 N 0 0 0 0 0 0 0 0 0 -1.0535 5.3168 3.2564 C 0 0 0 0 0 0 0 0 0 -0.5097 3.9652 3.6323 C 0 0 0 0 0 0 0 0 0 -1.9882 5.2452 2.0512 C 0 0 0 0 0 0 0 0 0 0.0659 3.7927 4.8853 C 0 0 0 0 0 0 0 0 0 0.5605 2.5541 5.2861 C 0 0 0 0 0 0 0 0 0 -0.5745 2.8942 2.7470 C 0 0 0 0 0 0 0 0 0 0.4527 1.4676 4.4220 C 0 0 0 0 0 0 0 0 0 -0.1180 1.6495 3.1662 C 0 0 0 0 0 0 0 0 0 -1.1349 3.0776 1.3528 C 0 0 2 0 0 0 0 0 0 -0.2223 2.4544 0.2910 C 0 0 0 0 0 0 0 0 0 -0.8454 2.5543 -1.1070 C 0 0 1 0 0 0 0 0 0 -1.9159 4.6988 -0.3188 C 0 0 0 0 0 0 0 0 0 -1.0896 4.0389 -1.4318 C 0 0 2 0 0 0 0 0 0 0.3405 0.3511 -1.8375 C 0 0 1 0 0 0 0 0 0 1.1699 -0.3359 -2.9052 C 0 0 0 0 0 0 0 0 0 2.3133 0.2757 -3.4110 C 0 0 0 0 0 0 0 0 0 3.0813 -0.3299 -4.4026 C 0 0 0 0 0 0 0 0 0 2.6929 -1.5737 -4.8930 C 0 0 0 0 0 0 0 0 0 0.8065 -1.5908 -3.3902 C 0 0 0 0 0 0 0 0 0 1.5627 -2.1967 -4.3857 C 0 0 0 0 0 0 0 0 0 -0.3996 -2.3182 -2.8627 C 0 0 0 0 0 0 0 0 0 -0.8110 -1.7941 -1.4919 C 0 0 0 0 0 0 0 0 0 1.1572 2.3326 6.4973 O 0 0 0 0 0 0 0 0 0 1.2309 3.3848 7.4380 C 0 0 0 0 0 0 0 0 0 0.9161 0.2537 4.8526 O 0 0 0 0 0 0 0 0 0 1.1917 -0.7546 3.8988 C 0 0 0 0 0 0 0 0 0 0.0252 1.8274 -2.1504 C 0 0 0 0 0 0 0 0 0 -0.9196 -0.3478 -1.5830 N 0 0 0 0 0 0 0 0 0 -1.7408 4.2976 -2.8008 C 0 0 0 0 0 0 0 0 0 -3.0888 3.6105 -3.0297 C 0 0 0 0 0 0 0 0 0 4.2132 0.2218 -4.9370 O 0 0 0 0 0 0 0 0 0 4.4510 1.6026 -4.7446 C 0 0 0 0 0 0 0 0 0 3.3861 -2.2214 -5.8680 O 0 0 0 0 0 0 0 0 0 -1.5966 5.7396 4.0893 H 0 0 0 0 0 0 0 0 0 -0.2215 5.9631 3.0168 H 0 0 0 0 0 0 0 0 0 -2.2069 6.2541 1.7305 H 0 0 0 0 0 0 0 0 0 -2.9151 4.7592 2.3259 H 0 0 0 0 0 0 0 0 0 0.1248 4.6153 5.5333 H 0 0 0 0 0 0 0 0 0 -0.2050 0.8277 2.5240 H 0 0 0 0 0 0 0 0 0 0.7363 2.9540 0.3018 H 0 0 0 0 0 0 0 0 0 -0.0744 1.4147 0.5298 H 0 0 0 0 0 0 0 0 0 -1.8079 2.0669 -1.0755 H 0 0 0 0 0 0 0 0 0 -2.9196 4.2992 -0.3153 H 0 0 0 0 0 0 0 0 0 -1.9687 5.7599 -0.5229 H 0 0 0 0 0 0 0 0 0 -0.1269 4.5313 -1.4392 H 0 0 0 0 0 0 0 0 0 0.9434 0.3060 -0.9420 H 0 0 0 0 0 0 0 0 0 2.6024 1.2107 -3.0372 H 0 0 0 0 0 0 0 0 0 1.2859 -3.1363 -4.7650 H 0 0 0 0 0 0 0 0 0 -1.2163 -2.1700 -3.5548 H 0 0 0 0 0 0 0 0 0 -0.1924 -3.3757 -2.7827 H 0 0 0 0 0 0 0 0 0 -1.7645 -2.2250 -1.2192 H 0 0 0 0 0 0 0 0 0 -0.0739 -2.0651 -0.7487 H 0 0 0 0 0 0 0 0 0 0.2391 3.7196 7.7061 H 0 0 0 0 0 0 0 0 0 1.7202 3.0137 8.3265 H 0 0 0 0 0 0 0 0 0 1.8092 4.2096 7.0466 H 0 0 0 0 0 0 0 0 0 1.7367 -1.5492 4.3872 H 0 0 0 0 0 0 0 0 0 0.2723 -1.1618 3.5042 H 0 0 0 0 0 0 0 0 0 1.8020 -0.3717 3.0924 H 0 0 0 0 0 0 0 0 0 -0.4862 1.8529 -3.1016 H 0 0 0 0 0 0 0 0 0 0.9500 2.3765 -2.2464 H 0 0 0 0 0 0 0 0 0 -1.3786 -0.0032 -0.7641 H 0 0 0 0 0 0 0 0 0 -1.8898 5.3620 -2.9162 H 0 0 0 0 0 0 0 0 0 -1.0634 3.9813 -3.5805 H 0 0 0 0 0 0 0 0 0 -2.9843 2.5364 -2.9748 H 0 0 0 0 0 0 0 0 0 -3.8137 3.9386 -2.3007 H 0 0 0 0 0 0 0 0 0 -3.4556 3.8797 -4.0093 H 0 0 0 0 0 0 0 0 0 5.2726 1.8987 -5.3807 H 0 0 0 0 0 0 0 0 0 3.5839 2.1892 -5.0157 H 0 0 0 0 0 0 0 0 0 4.7230 1.7979 -3.7176 H 0 0 0 0 0 0 0 0 0 4.1334 -1.6906 -6.1288 H 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 8 1 0 0 0 0 4 6 2 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 25 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 8 10 2 0 0 0 0 9 27 1 0 0 0 0 9 10 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 1 0 0 0 13 44 1 6 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 31 1 6 0 0 0 15 47 1 1 0 0 0 16 30 1 6 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 48 1 1 0 0 0 17 21 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 33 1 0 0 0 0 19 20 2 0 0 0 0 20 35 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 30 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 34 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 M END > 32944 > K $$$$ 32946 1016 111283D 32946 25 24 0 1 V2000 0.1176 1.2026 0.0867 N 0 0 0 0 0 0 0 0 0 0.1721 -0.0412 -0.0071 C 0 0 0 0 0 0 0 0 0 -0.9894 -0.7277 -0.0424 N 0 0 0 0 0 0 0 0 0 1.3529 -0.7073 -0.0733 N 0 0 0 0 0 0 0 0 0 2.4480 -0.0816 -0.0431 N 0 0 0 0 0 0 0 0 0 3.5850 -0.6064 -0.0948 C 0 0 0 0 0 0 0 0 0 4.8101 0.2602 -0.0590 C 0 0 0 0 0 0 0 0 0 4.6704 1.7566 0.0123 C 0 0 0 0 0 0 0 0 0 5.9313 -0.3029 -0.0901 N 0 0 0 0 0 0 0 0 0 7.0619 0.2619 -0.0361 N 0 0 0 0 0 0 0 0 0 8.2062 -0.4595 -0.1150 C 0 0 0 0 0 0 0 0 0 9.3948 0.1787 -0.0133 N 0 0 0 0 0 0 0 0 0 8.1750 -1.6970 -0.2793 N 0 0 0 0 0 0 0 0 0 0.9341 1.7228 0.1143 H 0 0 0 0 0 0 0 0 0 -1.8292 -0.2464 0.0058 H 0 0 0 0 0 0 0 0 0 -0.9888 -1.6928 -0.1153 H 0 0 0 0 0 0 0 0 0 1.3300 -1.6750 -0.1445 H 0 0 0 0 0 0 0 0 0 3.6918 -1.6491 -0.1623 H 0 0 0 0 0 0 0 0 0 3.6363 2.0513 -0.0841 H 0 0 0 0 0 0 0 0 0 5.0477 2.1070 0.9616 H 0 0 0 0 0 0 0 0 0 5.2340 2.2084 -0.7902 H 0 0 0 0 0 0 0 0 0 7.1422 1.2222 0.0633 H 0 0 0 0 0 0 0 0 0 9.4202 1.1378 0.1202 H 0 0 0 0 0 0 0 0 0 10.2245 -0.3177 -0.0724 H 0 0 0 0 0 0 0 0 0 8.9952 -2.2070 -0.3397 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 9 2 0 0 0 0 7 8 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 M END > 32946 > K $$$$ 32982 1016 111283D 32982 47 48 0 1 V2000 1.2387 5.2989 -2.7801 C 0 0 0 0 0 0 0 0 0 1.2591 6.5897 -2.2580 C 0 0 0 0 0 0 0 0 0 7.7806 8.7745 3.9603 C 0 0 0 0 0 0 0 0 0 8.6858 7.7967 4.3523 C 0 0 0 0 0 0 0 0 0 1.3679 4.2175 -1.9119 C 0 0 0 0 0 0 0 0 0 1.4159 6.8148 -0.8950 C 0 0 0 0 0 0 0 0 0 6.4188 8.5044 3.9057 C 0 0 0 0 0 0 0 0 0 8.2301 6.5308 4.7082 C 0 0 0 0 0 0 0 0 0 1.5203 4.4337 -0.5500 C 0 0 0 0 0 0 0 0 0 1.5443 5.7247 -0.0404 C 0 0 0 0 0 0 0 0 0 5.9686 7.2352 4.2574 C 0 0 0 0 0 0 0 0 0 6.8707 6.2573 4.6566 C 0 0 0 0 0 0 0 0 0 10.0147 8.0888 4.3849 O 0 0 0 0 0 0 0 0 0 3.3264 10.6245 2.8892 C 0 0 0 0 0 0 0 0 0 3.8315 11.7032 2.6906 O 0 0 0 0 0 0 0 0 0 1.6414 10.0428 1.2617 C 0 0 0 0 0 0 0 0 0 1.4725 10.8938 0.4220 O 0 0 0 0 0 0 0 0 0 1.1014 5.0220 -4.1124 O 0 0 0 0 0 0 0 0 0 10.5705 8.1603 3.0863 C 0 0 0 0 0 0 0 0 0 9.0694 5.5384 5.1074 O 0 0 0 0 0 0 0 0 0 5.4999 9.6140 3.4639 C 0 0 0 0 0 0 0 0 0 4.1743 9.4702 3.3333 C 0 0 0 0 0 0 0 0 0 1.8549 10.4437 2.6883 C 0 0 0 0 0 0 0 0 0 1.6374 8.5949 0.8663 C 0 0 0 0 0 0 0 0 0 1.4393 8.2434 -0.4120 C 0 0 0 0 0 0 0 0 0 0.5720 6.0260 -4.9574 C 0 0 0 0 0 0 0 0 0 1.3507 2.9287 -2.3456 O 0 0 0 0 0 0 0 0 0 1.1564 7.4130 -2.8998 H 0 0 0 0 0 0 0 0 0 8.1395 9.7275 3.7036 H 0 0 0 0 0 0 0 0 0 1.6176 3.6102 0.0940 H 0 0 0 0 0 0 0 0 0 1.6600 5.8586 0.9933 H 0 0 0 0 0 0 0 0 0 4.9475 6.9978 4.2275 H 0 0 0 0 0 0 0 0 0 6.5283 5.3012 4.9230 H 0 0 0 0 0 0 0 0 0 10.5022 7.1969 2.5995 H 0 0 0 0 0 0 0 0 0 10.0709 8.9034 2.4805 H 0 0 0 0 0 0 0 0 0 11.6128 8.4300 3.1699 H 0 0 0 0 0 0 0 0 0 9.9559 5.8827 5.1691 H 0 0 0 0 0 0 0 0 0 5.9224 10.5523 3.2453 H 0 0 0 0 0 0 0 0 0 3.7114 8.5526 3.5386 H 0 0 0 0 0 0 0 0 0 1.4824 9.6759 3.3493 H 0 0 0 0 0 0 0 0 0 1.3447 11.3739 2.8859 H 0 0 0 0 0 0 0 0 0 1.7915 7.8675 1.6051 H 0 0 0 0 0 0 0 0 0 1.2923 9.0082 -1.1190 H 0 0 0 0 0 0 0 0 0 0.3954 5.5975 -5.9332 H 0 0 0 0 0 0 0 0 0 -0.3694 6.3947 -4.5731 H 0 0 0 0 0 0 0 0 0 1.2714 6.8423 -5.0646 H 0 0 0 0 0 0 0 0 0 1.2287 2.9157 -3.2909 H 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 5 2 0 0 0 0 1 2 1 0 0 0 0 2 6 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 7 2 0 0 0 0 3 29 1 0 0 0 0 4 13 1 0 0 0 0 4 8 2 0 0 0 0 5 27 1 0 0 0 0 5 9 1 0 0 0 0 6 25 1 0 0 0 0 6 10 1 0 0 0 0 7 21 1 0 0 0 0 7 11 1 0 0 0 0 8 20 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 16 23 1 0 0 0 0 18 26 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M END > 32982 > K $$$$ 32992 1016 111283D 32992 72 75 1 1 V2000 4.6661 0.6493 -7.1498 O 0 0 0 0 0 0 0 0 0 9.7813 8.3965 -3.4545 O 0 0 0 0 0 0 0 0 0 7.7096 9.1413 -2.7037 O 0 0 0 0 0 0 0 0 0 9.4927 6.0527 -3.4083 C 0 0 0 0 0 0 0 0 0 8.9011 4.8984 -3.9184 C 0 0 0 0 0 0 0 0 0 9.1451 7.2916 -3.9366 C 0 0 0 0 0 0 0 0 0 8.1763 7.3710 -4.9298 C 0 0 0 0 0 0 0 0 0 7.9660 4.9724 -4.9457 C 0 0 0 0 0 0 0 0 0 7.5776 6.2212 -5.4294 C 0 0 0 0 0 0 0 0 0 7.3862 3.6904 -5.5148 C 0 0 0 0 0 0 0 0 0 8.2881 2.7647 -5.8838 C 0 0 0 0 0 0 0 0 0 8.1051 1.4059 -6.4956 C 0 0 0 0 0 0 0 0 0 6.5130 6.3308 -6.4901 C 0 0 0 0 0 0 0 0 0 5.8774 3.6028 -5.5994 C 0 0 0 0 0 0 0 0 0 6.9836 0.7813 -6.8674 C 0 0 0 0 0 0 0 0 0 5.1266 5.9715 -5.9385 C 0 0 0 0 0 0 0 0 0 5.1179 4.7647 -4.9933 C 0 0 1 0 0 0 0 0 0 5.1464 2.6200 -6.1476 C 0 0 0 0 0 0 0 0 0 5.5827 1.3211 -6.7380 C 0 0 0 0 0 0 0 0 0 7.7302 8.4500 -1.4628 C 0 0 1 0 0 0 0 0 0 8.4821 9.2143 -0.3699 C 0 0 1 0 0 0 0 0 0 9.8934 9.5167 -0.8827 C 0 0 1 0 0 0 0 0 0 9.7849 10.3588 -2.1596 C 0 0 1 0 0 0 0 0 0 8.9870 9.5314 -3.1779 C 0 0 1 0 0 0 0 0 0 7.2037 -0.4523 -7.4101 O 0 0 0 0 0 0 0 0 0 6.3981 -1.4889 -6.8800 C 0 0 0 0 0 0 0 0 0 9.2187 3.6694 -3.4218 O 0 0 0 0 0 0 0 0 0 8.7398 3.5065 -2.1002 C 0 0 0 0 0 0 0 0 0 3.7780 4.4134 -4.6046 N 0 0 0 0 0 0 0 0 0 3.5368 3.8466 -3.3942 C 0 0 0 0 0 0 0 0 0 4.4377 3.7300 -2.5992 O 0 0 0 0 0 0 0 0 0 2.1687 3.3655 -3.0291 C 0 0 0 0 0 0 0 0 0 10.4062 6.0070 -2.3918 O 0 0 0 0 0 0 0 0 0 11.5338 5.1835 -2.6342 C 0 0 0 0 0 0 0 0 0 9.2236 11.6268 -1.8714 O 0 0 0 0 0 0 0 0 0 10.6183 10.1629 0.1477 O 0 0 0 0 0 0 0 0 0 7.7614 10.3824 -0.0297 O 0 0 0 0 0 0 0 0 0 6.2948 8.1833 -1.0234 C 0 0 0 0 0 0 0 0 0 6.3132 7.2625 0.0477 O 0 0 0 0 0 0 0 0 0 7.8985 8.3108 -5.3061 H 0 0 0 0 0 0 0 0 0 9.2969 3.0169 -5.7283 H 0 0 0 0 0 0 0 0 0 8.9879 0.8602 -6.6587 H 0 0 0 0 0 0 0 0 0 6.4759 7.3300 -6.9006 H 0 0 0 0 0 0 0 0 0 6.7647 5.6555 -7.2948 H 0 0 0 0 0 0 0 0 0 4.7387 6.8146 -5.3844 H 0 0 0 0 0 0 0 0 0 4.4678 5.7796 -6.7738 H 0 0 0 0 0 0 0 0 0 5.6326 5.0642 -4.0900 H 0 0 0 0 0 0 0 0 0 4.1071 2.7548 -6.1779 H 0 0 0 0 0 0 0 0 0 8.1982 7.4837 -1.5769 H 0 0 0 0 0 0 0 0 0 8.5651 8.5879 0.5065 H 0 0 0 0 0 0 0 0 0 10.3850 8.5811 -1.1198 H 0 0 0 0 0 0 0 0 0 10.7819 10.4995 -2.5533 H 0 0 0 0 0 0 0 0 0 8.8633 10.1174 -4.0767 H 0 0 0 0 0 0 0 0 0 6.7646 -2.4335 -7.2537 H 0 0 0 0 0 0 0 0 0 6.4567 -1.5052 -5.7998 H 0 0 0 0 0 0 0 0 0 5.3670 -1.3894 -7.1834 H 0 0 0 0 0 0 0 0 0 7.6600 3.5614 -2.0862 H 0 0 0 0 0 0 0 0 0 9.0389 2.5345 -1.7385 H 0 0 0 0 0 0 0 0 0 9.1416 4.2567 -1.4332 H 0 0 0 0 0 0 0 0 0 3.0385 4.5757 -5.2102 H 0 0 0 0 0 0 0 0 0 1.6205 4.1739 -2.5691 H 0 0 0 0 0 0 0 0 0 1.6525 3.0341 -3.9174 H 0 0 0 0 0 0 0 0 0 2.2533 2.5442 -2.3331 H 0 0 0 0 0 0 0 0 0 12.1798 5.2296 -1.7699 H 0 0 0 0 0 0 0 0 0 11.2700 4.1491 -2.7954 H 0 0 0 0 0 0 0 0 0 12.0856 5.5443 -3.4908 H 0 0 0 0 0 0 0 0 0 9.2433 12.1763 -2.6461 H 0 0 0 0 0 0 0 0 0 11.5014 10.3489 -0.1516 H 0 0 0 0 0 0 0 0 0 8.3447 10.9724 0.4396 H 0 0 0 0 0 0 0 0 0 5.8310 9.1149 -0.7276 H 0 0 0 0 0 0 0 0 0 5.7534 7.7682 -1.8623 H 0 0 0 0 0 0 0 0 0 5.4200 6.9987 0.2452 H 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 6 1 0 0 0 0 2 24 1 0 0 0 0 3 20 1 0 0 0 0 3 24 1 0 0 0 0 4 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 27 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 7 40 1 0 0 0 0 8 10 1 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 15 2 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 25 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 29 1 6 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 6 0 0 0 20 49 1 1 0 0 0 21 37 1 0 0 0 0 21 22 1 1 0 0 0 21 50 1 6 0 0 0 22 36 1 6 0 0 0 22 23 1 1 0 0 0 22 51 1 0 0 0 0 23 35 1 6 0 0 0 23 24 1 0 0 0 0 23 52 1 1 0 0 0 24 53 1 1 0 0 0 25 26 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 38 39 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 M END > 32992 > K $$$$ 33004 1016 111283D 33004 25 27 0 1 V2000 2.4536 1.3650 -0.1429 C 0 0 0 0 0 0 0 0 0 2.4898 -0.0234 -0.1232 C 0 0 0 0 0 0 0 0 0 3.2280 -5.2961 -0.0713 C 0 0 0 0 0 0 0 0 0 1.2383 2.0356 -0.1568 C 0 0 0 0 0 0 0 0 0 1.3070 -0.7537 -0.1193 C 0 0 0 0 0 0 0 0 0 1.3492 -2.2564 -0.1029 C 0 0 0 0 0 0 0 0 0 2.2662 -4.2957 -0.0815 C 0 0 0 0 0 0 0 0 0 2.8173 -6.6253 -0.0617 C 0 0 0 0 0 0 0 0 0 0.0546 1.3064 -0.1503 C 0 0 0 0 0 0 0 0 0 0.0894 -0.0821 -0.1307 C 0 0 0 0 0 0 0 0 0 0.9219 -4.6230 -0.0799 C 0 0 0 0 0 0 0 0 0 1.4632 -6.9475 -0.0598 C 0 0 0 0 0 0 0 0 0 0.5007 -5.9443 -0.0674 C 0 0 0 0 0 0 0 0 0 2.4996 -2.9680 -0.0936 N 0 0 0 0 0 0 0 0 0 -0.0581 -3.2334 -0.0946 S 0 0 0 0 0 0 0 0 0 1.2519 3.3940 -0.1767 O 0 0 0 0 0 0 0 0 0 3.3470 1.9163 -0.1474 H 0 0 0 0 0 0 0 0 0 3.4156 -0.5202 -0.1113 H 0 0 0 0 0 0 0 0 0 4.2491 -5.0507 -0.0710 H 0 0 0 0 0 0 0 0 0 3.5348 -7.3929 -0.0558 H 0 0 0 0 0 0 0 0 0 -0.8691 1.8052 -0.1601 H 0 0 0 0 0 0 0 0 0 -0.8125 -0.6206 -0.1249 H 0 0 0 0 0 0 0 0 0 1.1653 -7.9549 -0.0525 H 0 0 0 0 0 0 0 0 0 -0.5231 -6.1782 -0.0640 H 0 0 0 0 0 0 0 0 0 0.3665 3.7402 -0.1839 H 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 2 5 2 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 3 19 1 0 0 0 0 4 16 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 15 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 15 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 16 25 1 0 0 0 0 M END > 33004 > K $$$$ 33006 1016 111283D 33006 31 33 0 1 V2000 1.8015 1.7918 1.7167 C 0 0 0 0 0 0 0 0 0 2.3358 0.5194 1.8849 C 0 0 0 0 0 0 0 0 0 6.9687 -3.0191 3.6610 C 0 0 0 0 0 0 0 0 0 2.5313 2.9230 2.0721 C 0 0 0 0 0 0 0 0 0 3.6173 0.3574 2.3980 C 0 0 0 0 0 0 0 0 0 4.2121 -1.0089 2.6012 C 0 0 0 0 0 0 0 0 0 5.7700 -2.5022 3.1908 C 0 0 0 0 0 0 0 0 0 7.1398 -4.3991 3.6936 C 0 0 0 0 0 0 0 0 0 3.8199 2.7508 2.5640 C 0 0 0 0 0 0 0 0 0 4.3605 1.4831 2.7282 C 0 0 0 0 0 0 0 0 0 4.7635 -3.3490 2.7614 C 0 0 0 0 0 0 0 0 0 6.1243 -5.2471 3.2610 C 0 0 0 0 0 0 0 0 0 4.9236 -4.7270 2.7899 C 0 0 0 0 0 0 0 0 0 5.4553 -1.1957 3.0989 N 0 0 0 0 0 0 0 0 0 3.4017 -2.4735 2.2337 S 0 0 0 0 0 0 0 0 0 0.7881 4.6515 1.9457 C 0 0 0 0 0 0 0 0 0 0.6280 5.8136 1.6637 O 0 0 0 0 0 0 0 0 0 2.0753 4.2083 1.9693 N 0 0 0 0 0 0 0 0 0 -0.4353 3.8373 2.2419 C 0 0 0 0 0 0 0 0 0 0.8392 1.8830 1.3141 H 0 0 0 0 0 0 0 0 0 1.7645 -0.3220 1.6211 H 0 0 0 0 0 0 0 0 0 7.7321 -2.3754 3.9861 H 0 0 0 0 0 0 0 0 0 8.0426 -4.8039 4.0476 H 0 0 0 0 0 0 0 0 0 4.3946 3.5915 2.8183 H 0 0 0 0 0 0 0 0 0 5.3357 1.3789 3.1047 H 0 0 0 0 0 0 0 0 0 6.2664 -6.2878 3.2906 H 0 0 0 0 0 0 0 0 0 4.1538 -5.3621 2.4625 H 0 0 0 0 0 0 0 0 0 2.7407 4.9119 1.9084 H 0 0 0 0 0 0 0 0 0 -1.2136 4.5003 2.5882 H 0 0 0 0 0 0 0 0 0 -0.7756 3.3514 1.3398 H 0 0 0 0 0 0 0 0 0 -0.2255 3.1069 3.0079 H 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 2 5 2 0 0 0 0 2 21 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 3 22 1 0 0 0 0 4 18 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 15 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 15 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > 33006 > K $$$$ 33410 1016 111283D 33410 61 64 1 1 V2000 2.9358 6.1878 -3.1224 O 0 0 0 0 0 0 0 0 0 2.4688 0.1521 1.8696 C 0 0 0 0 0 0 0 0 0 2.6893 1.3277 1.1829 C 0 0 0 0 0 0 0 0 0 2.9774 -1.0353 1.3521 C 0 0 0 0 0 0 0 0 0 3.7068 -1.0064 0.1833 C 0 0 0 0 0 0 0 0 0 3.4149 1.3566 -0.0299 C 0 0 0 0 0 0 0 0 0 3.9575 0.1845 -0.5082 C 0 0 0 0 0 0 0 0 0 3.5107 2.7174 -0.6297 C 0 0 0 0 0 0 0 0 0 3.6824 3.7613 0.2471 C 0 0 0 0 0 0 0 0 0 3.7266 5.0950 0.1060 C 0 0 0 0 0 0 0 0 0 4.8711 -0.0024 -1.6835 C 0 0 0 0 0 0 0 0 0 3.3523 2.8955 -2.0084 C 0 0 0 0 0 0 0 0 0 3.5204 5.8577 -1.0003 C 0 0 0 0 0 0 0 0 0 4.8480 1.1212 -2.6929 C 0 0 0 0 0 0 0 0 0 3.1957 4.0497 -2.6595 C 0 0 0 0 0 0 0 0 0 3.4075 1.6278 -2.8618 C 0 0 2 0 0 0 0 0 0 3.2160 5.3595 -2.2662 C 0 0 0 0 0 0 0 0 0 3.6175 7.2025 -0.8621 O 0 0 0 0 0 0 0 0 0 2.6748 7.9157 -0.0190 C 0 0 0 0 0 0 0 0 0 2.1953 2.4895 1.6856 O 0 0 0 0 0 0 0 0 0 0.7686 2.7547 1.6333 C 0 0 0 0 0 0 0 0 0 3.1365 1.9436 -4.2665 N 0 0 0 0 0 0 0 0 0 1.8717 1.9173 -4.7312 C 0 0 0 0 0 0 0 0 0 0.9558 1.6314 -3.9849 O 0 0 0 0 0 0 0 0 0 1.5982 2.2360 -6.1488 C 0 0 0 0 0 0 0 0 0 0.4003 1.8317 -6.7395 C 0 0 0 0 0 0 0 0 0 0.1511 2.1328 -8.0628 C 0 0 0 0 0 0 0 0 0 1.0858 2.8334 -8.8037 C 0 0 0 0 0 0 0 0 0 2.2757 3.2373 -8.2241 C 0 0 0 0 0 0 0 0 0 2.5347 2.9477 -6.9005 C 0 0 0 0 0 0 0 0 0 1.7700 0.1541 3.0375 O 0 0 0 0 0 0 0 0 0 2.4447 -0.1460 4.2877 C 0 0 0 0 0 0 0 0 0 2.7570 -2.2129 1.9939 O 0 0 0 0 0 0 0 0 0 3.3090 -3.4452 1.4598 C 0 0 0 0 0 0 0 0 0 4.0980 -1.9324 -0.2116 H 0 0 0 0 0 0 0 0 0 3.8085 3.4391 1.2702 H 0 0 0 0 0 0 0 0 0 3.9606 5.6446 1.0058 H 0 0 0 0 0 0 0 0 0 5.8904 -0.1109 -1.3129 H 0 0 0 0 0 0 0 0 0 4.5939 -0.9264 -2.1910 H 0 0 0 0 0 0 0 0 0 5.4818 1.9363 -2.3438 H 0 0 0 0 0 0 0 0 0 5.2194 0.7568 -3.6507 H 0 0 0 0 0 0 0 0 0 3.0152 3.9233 -3.7169 H 0 0 0 0 0 0 0 0 0 2.6973 0.8883 -2.4920 H 0 0 0 0 0 0 0 0 0 1.6631 7.7620 -0.3944 H 0 0 0 0 0 0 0 0 0 2.7444 7.5403 1.0020 H 0 0 0 0 0 0 0 0 0 2.9092 8.9801 -0.0315 H 0 0 0 0 0 0 0 0 0 0.4185 2.6578 0.6056 H 0 0 0 0 0 0 0 0 0 0.2427 2.0392 2.2654 H 0 0 0 0 0 0 0 0 0 0.5738 3.7662 1.9897 H 0 0 0 0 0 0 0 0 0 3.8674 2.1717 -4.8620 H 0 0 0 0 0 0 0 0 0 -0.3300 1.2840 -6.1624 H 0 0 0 0 0 0 0 0 0 -0.7757 1.8204 -8.5212 H 0 0 0 0 0 0 0 0 0 0.8862 3.0659 -9.8395 H 0 0 0 0 0 0 0 0 0 3.0013 3.7839 -8.8081 H 0 0 0 0 0 0 0 0 0 3.4618 3.2673 -6.4481 H 0 0 0 0 0 0 0 0 0 2.7962 -1.1776 4.2724 H 0 0 0 0 0 0 0 0 0 3.2942 0.5255 4.4124 H 0 0 0 0 0 0 0 0 0 1.7501 -0.0111 5.1169 H 0 0 0 0 0 0 0 0 0 2.9168 -3.6143 0.4571 H 0 0 0 0 0 0 0 0 0 4.3953 -3.3680 1.4169 H 0 0 0 0 0 0 0 0 0 3.0291 -4.2782 2.1047 H 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 20 1 0 0 0 0 3 6 2 0 0 0 0 4 33 1 0 0 0 0 4 5 1 0 0 0 0 5 7 2 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 13 2 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 15 2 0 0 0 0 13 18 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 16 22 1 1 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M END > 33410 > K $$$$ 34391 1016 111283D 34391 52 55 0 2 V2000 -0.3528 -1.0285 2.2271 N 0 0 0 0 0 0 0 0 0 -0.2368 1.3819 2.1656 C 0 0 0 0 0 0 0 0 0 0.3424 0.1326 1.9449 C 0 0 0 0 0 0 0 0 0 0.4344 2.5576 1.8635 C 0 0 0 0 0 0 0 0 0 1.6417 0.0842 1.4315 C 0 0 0 0 0 0 0 0 0 1.7129 2.5003 1.3336 C 0 0 0 0 0 0 0 0 0 2.3109 1.2671 1.1222 C 0 0 0 0 0 0 0 0 0 2.2867 -1.2698 1.2272 C 0 0 0 0 0 0 0 0 0 0.2126 -2.2674 2.0951 C 0 0 0 0 0 0 0 0 0 1.4517 -2.4519 1.6291 C 0 0 0 0 0 0 0 0 0 6.1765 -4.1296 -0.2368 C 0 0 0 0 0 0 0 0 0 7.4704 -4.1621 -0.7655 C 0 0 0 0 0 0 0 0 0 5.5620 -5.3354 0.0809 C 0 0 0 0 0 0 0 0 0 8.1403 -2.9888 -1.1141 C 0 0 0 0 0 0 0 0 0 9.4222 -3.0186 -1.6416 C 0 0 0 0 0 0 0 0 0 6.2219 -6.5367 -0.1097 C 0 0 0 0 0 0 0 0 0 8.1145 -5.3932 -0.9522 C 0 0 0 0 0 0 0 0 0 10.0573 -4.2338 -1.8317 C 0 0 0 0 0 0 0 0 0 9.4021 -5.4068 -1.4898 C 0 0 0 0 0 0 0 0 0 3.5244 -1.4223 0.7216 C 0 0 0 0 0 0 0 0 0 4.1881 -2.7588 0.5219 C 0 0 0 0 0 0 0 0 0 5.4227 -2.8307 0.0016 C 0 0 0 0 0 0 0 0 0 7.4861 -6.5675 -0.6096 N 0 3 0 0 0 0 0 0 0 8.1026 -7.8758 -0.7520 C 0 0 0 0 0 0 0 0 0 7.9570 -8.3889 -2.1853 C 0 0 0 0 0 0 0 0 0 -1.7262 -1.0202 2.6827 C 0 0 0 0 0 0 0 0 0 -1.7593 -0.8579 4.2006 C 0 0 0 0 0 0 0 0 0 -1.2003 1.4631 2.5689 H 0 0 0 0 0 0 0 0 0 -0.0252 3.4864 2.0358 H 0 0 0 0 0 0 0 0 0 2.2253 3.3857 1.0947 H 0 0 0 0 0 0 0 0 0 3.2793 1.2562 0.7239 H 0 0 0 0 0 0 0 0 0 -0.3394 -3.1208 2.3665 H 0 0 0 0 0 0 0 0 0 1.8134 -3.4317 1.5548 H 0 0 0 0 0 0 0 0 0 4.5897 -5.3684 0.4709 H 0 0 0 0 0 0 0 0 0 7.7010 -2.0458 -0.9904 H 0 0 0 0 0 0 0 0 0 9.9098 -2.1223 -1.8963 H 0 0 0 0 0 0 0 0 0 5.7151 -7.4248 0.1452 H 0 0 0 0 0 0 0 0 0 11.0289 -4.2637 -2.2324 H 0 0 0 0 0 0 0 0 0 9.9126 -6.3075 -1.6516 H 0 0 0 0 0 0 0 0 0 4.0743 -0.5746 0.4448 H 0 0 0 0 0 0 0 0 0 3.6759 -3.6271 0.7935 H 0 0 0 0 0 0 0 0 0 5.8724 -1.9170 -0.2469 H 0 0 0 0 0 0 0 0 0 9.1473 -7.8619 -0.4716 H 0 0 0 0 0 0 0 0 0 7.6381 -8.6043 -0.0988 H 0 0 0 0 0 0 0 0 0 8.4416 -7.7180 -2.8796 H 0 0 0 0 0 0 0 0 0 8.4098 -9.3666 -2.2694 H 0 0 0 0 0 0 0 0 0 6.9105 -8.4647 -2.4443 H 0 0 0 0 0 0 0 0 0 -2.2999 -0.2400 2.2046 H 0 0 0 0 0 0 0 0 0 -2.2221 -1.9488 2.4337 H 0 0 0 0 0 0 0 0 0 -2.7823 -0.8678 4.5460 H 0 0 0 0 0 0 0 0 0 -1.2209 -1.6737 4.6605 H 0 0 0 0 0 0 0 0 0 -1.2951 0.0741 4.4867 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 28 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 4 29 1 0 0 0 0 5 8 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 20 2 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 11 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 12 14 1 0 0 0 0 13 16 2 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 23 1 0 0 0 0 16 37 1 0 0 0 0 17 23 2 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M CHG 1 23 1 M END > 34391 > K $$$$ 34757 1016 111283D 34757 38 41 0 1 V2000 1.2902 -4.2328 -2.4648 O 0 0 0 0 0 0 0 0 0 -1.1278 -1.0963 -3.0533 N 0 0 0 0 0 0 0 0 0 1.2158 -1.4063 1.9141 O 0 0 0 0 0 0 0 0 0 -0.4890 0.1782 1.6200 O 0 0 0 0 0 0 0 0 0 0.9920 -2.4011 -0.3288 C 0 0 0 0 0 0 0 0 0 0.6720 -1.4995 0.6784 C 0 0 0 0 0 0 0 0 0 0.2863 -2.3001 -1.5236 C 0 0 0 0 0 0 0 0 0 0.4890 -3.3358 -2.5820 C 0 0 0 0 0 0 0 0 0 -0.3474 -3.2398 -3.8128 C 0 0 0 0 0 0 0 0 0 -0.3131 -4.2580 -4.7572 C 0 0 0 0 0 0 0 0 0 -1.1209 -4.1831 -5.8825 C 0 0 0 0 0 0 0 0 0 -0.3055 -0.5515 0.4946 C 0 0 0 0 0 0 0 0 0 -0.6148 -1.2634 -1.7773 C 0 0 0 0 0 0 0 0 0 -1.1511 -2.1169 -3.9817 C 0 0 0 0 0 0 0 0 0 -1.9549 -3.0876 -6.0542 C 0 0 0 0 0 0 0 0 0 -0.9704 -0.4201 -0.7197 C 0 0 0 0 0 0 0 0 0 -1.9661 -2.0674 -5.1118 C 0 0 0 0 0 0 0 0 0 0.4382 -0.3928 2.5319 C 0 0 0 0 0 0 0 0 0 -1.6562 0.1977 -3.4413 C 0 0 0 0 0 0 0 0 0 -1.9547 0.5163 -0.8740 O 0 0 0 0 0 0 0 0 0 -2.9091 0.5671 0.1722 C 0 0 0 0 0 0 0 0 0 1.9482 -3.3698 -0.2082 O 0 0 0 0 0 0 0 0 0 2.8947 -3.2248 0.8351 C 0 0 0 0 0 0 0 0 0 0.3223 -5.0835 -4.6190 H 0 0 0 0 0 0 0 0 0 -1.1015 -4.9512 -6.5988 H 0 0 0 0 0 0 0 0 0 -2.5782 -3.0296 -6.8978 H 0 0 0 0 0 0 0 0 0 -2.6078 -1.2521 -5.2681 H 0 0 0 0 0 0 0 0 0 -0.1026 -0.8341 3.3581 H 0 0 0 0 0 0 0 0 0 1.0865 0.3799 2.9227 H 0 0 0 0 0 0 0 0 0 -1.2508 1.0039 -2.8473 H 0 0 0 0 0 0 0 0 0 -1.3830 0.4262 -4.4619 H 0 0 0 0 0 0 0 0 0 -2.7331 0.2005 -3.3517 H 0 0 0 0 0 0 0 0 0 -3.1125 -0.4137 0.5820 H 0 0 0 0 0 0 0 0 0 -2.5678 1.2210 0.9613 H 0 0 0 0 0 0 0 0 0 -3.8350 0.9578 -0.2248 H 0 0 0 0 0 0 0 0 0 3.3340 -2.2359 0.8386 H 0 0 0 0 0 0 0 0 0 2.4251 -3.4149 1.7889 H 0 0 0 0 0 0 0 0 0 3.6871 -3.9445 0.6904 H 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 6 1 0 0 0 0 3 18 1 0 0 0 0 4 12 1 0 0 0 0 4 18 1 0 0 0 0 5 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 14 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 20 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END > 34757 > K $$$$ 34931 1016 111283D 34931 80 85 0 1 V2000 3.5597 1.6576 0.5934 N 0 0 0 0 0 0 0 0 0 2.7153 2.1577 1.1049 N 0 0 0 0 0 0 0 0 0 -0.2251 13.9460 1.3161 N 0 0 0 0 0 0 0 0 0 -1.0832 14.4537 1.7971 N 0 0 0 0 0 0 0 0 0 1.4641 10.7375 1.0408 C 0 0 0 0 0 0 0 0 0 0.4405 9.8411 1.3392 C 0 0 0 0 0 0 0 0 0 1.2277 12.1057 1.0335 C 0 0 0 0 0 0 0 0 0 -0.0334 12.6011 1.3323 C 0 0 0 0 0 0 0 0 0 -0.8244 10.3457 1.6327 C 0 0 0 0 0 0 0 0 0 -1.0584 11.7145 1.6356 C 0 0 0 0 0 0 0 0 0 1.0253 5.3651 1.3917 C 0 0 0 0 0 0 0 0 0 2.0541 6.2624 1.1146 C 0 0 0 0 0 0 0 0 0 1.2594 3.9964 1.3898 C 0 0 0 0 0 0 0 0 0 3.3232 5.7588 0.8379 C 0 0 0 0 0 0 0 0 0 2.5238 3.5024 1.1028 C 0 0 0 0 0 0 0 0 0 3.5549 4.3899 0.8246 C 0 0 0 0 0 0 0 0 0 -2.0513 16.4259 2.7388 C 0 0 0 0 0 0 0 0 0 -1.1845 15.8117 1.8376 C 0 0 0 0 0 0 0 0 0 -2.1558 17.8136 2.7579 C 0 0 0 0 0 0 0 0 0 -3.0258 18.4243 3.6546 C 0 0 0 0 0 0 0 0 0 -3.1480 19.8068 3.6831 C 0 0 0 0 0 0 0 0 0 -2.4014 20.5851 2.8098 C 0 0 0 0 0 0 0 0 0 -1.3965 18.5963 1.8871 C 0 0 0 0 0 0 0 0 0 -0.4228 16.5931 0.9773 C 0 0 0 0 0 0 0 0 0 -1.5288 19.9815 1.9145 C 0 0 0 0 0 0 0 0 0 -0.5181 17.9762 1.0049 C 0 0 0 0 0 0 0 0 0 4.4870 -0.2968 -0.4222 C 0 0 0 0 0 0 0 0 0 3.6558 0.3008 0.5226 C 0 0 0 0 0 0 0 0 0 4.5913 -1.6839 -0.4689 C 0 0 0 0 0 0 0 0 0 5.4313 -2.2790 -1.4039 C 0 0 0 0 0 0 0 0 0 5.5507 -3.6610 -1.4611 C 0 0 0 0 0 0 0 0 0 2.9242 -0.4952 1.3951 C 0 0 0 0 0 0 0 0 0 3.8608 -2.4818 0.4127 C 0 0 0 0 0 0 0 0 0 4.8305 -4.4545 -0.5793 C 0 0 0 0 0 0 0 0 0 3.0152 -1.8775 1.3369 C 0 0 0 0 0 0 0 0 0 3.9885 -3.8665 0.3548 C 0 0 0 0 0 0 0 0 0 5.2142 0.4286 -1.3178 O 0 0 0 0 0 0 0 0 0 2.0193 -2.8236 2.4751 S 0 0 0 0 0 0 0 0 0 1.1510 -3.6989 1.7535 O 0 0 0 0 0 0 0 0 0 2.8421 -3.5850 3.3608 O 0 0 0 0 0 0 0 0 0 1.1161 -1.8475 3.3516 O 0 0 0 0 0 0 0 0 0 4.7009 6.8409 0.4909 S 0 0 0 0 0 0 0 0 0 4.4505 7.6127 -0.6852 O 0 0 0 0 0 0 0 0 0 4.9260 7.7230 1.5922 O 0 0 0 0 0 0 0 0 0 6.0312 5.9968 0.2591 O 0 0 0 0 0 0 0 0 0 1.8385 7.7590 1.1047 C 0 0 0 0 0 0 0 0 0 0.6571 8.3447 1.3544 C 0 0 0 0 0 0 0 0 0 -2.1933 9.2643 2.0149 S 0 0 0 0 0 0 0 0 0 -2.4741 8.4141 0.9015 O 0 0 0 0 0 0 0 0 0 -1.8972 8.4589 3.1574 O 0 0 0 0 0 0 0 0 0 -3.5041 10.1113 2.3306 O 0 0 0 0 0 0 0 0 0 0.5143 18.9039 -0.1160 S 0 0 0 0 0 0 0 0 0 -0.2790 19.6490 -1.0415 O 0 0 0 0 0 0 0 0 0 1.3570 19.7929 0.6190 O 0 0 0 0 0 0 0 0 0 1.4477 17.9154 -0.9459 O 0 0 0 0 0 0 0 0 0 -2.8145 15.7182 3.6185 O 0 0 0 0 0 0 0 0 0 2.4314 10.3995 0.8160 H 0 0 0 0 0 0 0 0 0 2.0071 12.7711 0.8016 H 0 0 0 0 0 0 0 0 0 -2.0153 12.0804 1.8667 H 0 0 0 0 0 0 0 0 0 0.0556 5.7024 1.6067 H 0 0 0 0 0 0 0 0 0 0.4763 3.3301 1.6053 H 0 0 0 0 0 0 0 0 0 4.5147 4.0245 0.6049 H 0 0 0 0 0 0 0 0 0 -3.5967 17.8408 4.3171 H 0 0 0 0 0 0 0 0 0 -3.8048 20.2633 4.3645 H 0 0 0 0 0 0 0 0 0 -2.4965 21.6313 2.8264 H 0 0 0 0 0 0 0 0 0 0.2331 16.1339 0.2970 H 0 0 0 0 0 0 0 0 0 -0.9731 20.5881 1.2608 H 0 0 0 0 0 0 0 0 0 5.9817 -1.6843 -2.0737 H 0 0 0 0 0 0 0 0 0 6.1853 -4.1057 -2.1707 H 0 0 0 0 0 0 0 0 0 2.2952 -0.0477 2.1077 H 0 0 0 0 0 0 0 0 0 4.9224 -5.5004 -0.6186 H 0 0 0 0 0 0 0 0 0 3.4523 -4.4842 1.0142 H 0 0 0 0 0 0 0 0 0 5.0112 1.3565 -1.2516 H 0 0 0 0 0 0 0 0 0 0.6273 -2.4255 3.9238 H 0 0 0 0 0 0 0 0 0 6.7035 6.6508 0.1141 H 0 0 0 0 0 0 0 0 0 2.6632 8.3677 0.8897 H 0 0 0 0 0 0 0 0 0 -0.1667 7.7362 1.5732 H 0 0 0 0 0 0 0 0 0 -4.1719 9.4586 2.5002 H 0 0 0 0 0 0 0 0 0 1.9515 18.4849 -1.5137 H 0 0 0 0 0 0 0 0 0 -2.6239 14.7871 3.5657 H 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 2 2 0 0 0 0 2 15 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 57 1 0 0 0 0 6 47 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 58 1 0 0 0 0 8 10 2 0 0 0 0 9 48 1 0 0 0 0 9 10 1 0 0 0 0 10 59 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 60 1 0 0 0 0 12 46 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 61 1 0 0 0 0 14 42 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 16 62 1 0 0 0 0 17 56 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 24 1 0 0 0 0 19 23 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 63 1 0 0 0 0 21 22 1 0 0 0 0 21 64 1 0 0 0 0 22 25 2 0 0 0 0 22 65 1 0 0 0 0 23 26 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 26 52 1 0 0 0 0 27 37 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 68 1 0 0 0 0 31 34 1 0 0 0 0 31 69 1 0 0 0 0 32 35 1 0 0 0 0 32 70 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 36 2 0 0 0 0 34 71 1 0 0 0 0 35 38 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 38 41 1 0 0 0 0 38 39 2 0 0 0 0 38 40 2 0 0 0 0 41 74 1 0 0 0 0 42 45 1 0 0 0 0 42 43 2 0 0 0 0 42 44 2 0 0 0 0 45 75 1 0 0 0 0 46 47 2 0 0 0 0 46 76 1 0 0 0 0 47 77 1 0 0 0 0 48 51 1 0 0 0 0 48 49 2 0 0 0 0 48 50 2 0 0 0 0 51 78 1 0 0 0 0 52 55 1 0 0 0 0 52 53 2 0 0 0 0 52 54 2 0 0 0 0 55 79 1 0 0 0 0 56 80 1 0 0 0 0 M END > 34931 > K $$$$ 35489 1016 111283D 35489 45 49 0 2 V2000 -1.8389 0.7664 -0.5006 N 0 3 0 0 0 0 0 0 0 -3.5304 -2.7232 -1.9989 C 0 0 0 0 0 0 0 0 0 -3.3600 -3.9242 -1.3238 C 0 0 0 0 0 0 0 0 0 -2.9579 -1.5581 -1.5017 C 0 0 0 0 0 0 0 0 0 -3.1228 -0.3563 -2.1760 C 0 0 0 0 0 0 0 0 0 -2.5543 0.8008 -1.6626 C 0 0 0 0 0 0 0 0 0 -2.6152 -3.9635 -0.1528 C 0 0 0 0 0 0 0 0 0 -2.2161 -1.5952 -0.3234 C 0 0 0 0 0 0 0 0 0 -2.0423 -2.8014 0.3474 C 0 0 0 0 0 0 0 0 0 -1.6606 -0.4175 0.1628 C 0 0 0 0 0 0 0 0 0 -3.0697 2.9060 1.7323 C 0 0 0 0 0 0 0 0 0 -3.9309 3.2892 0.7098 C 0 0 0 0 0 0 0 0 0 -3.4175 3.1693 3.0500 C 0 0 0 0 0 0 0 0 0 -4.6179 3.8035 3.3333 C 0 0 0 0 0 0 0 0 0 -5.1423 3.9279 0.9691 C 0 0 0 0 0 0 0 0 0 -5.4727 4.1783 2.3031 C 0 0 0 0 0 0 0 0 0 -6.0208 4.3179 -0.0487 C 0 0 0 0 0 0 0 0 0 -5.7594 4.1049 -1.4034 C 0 0 0 0 0 0 0 0 0 -6.6562 4.5034 -2.3853 C 0 0 0 0 0 0 0 0 0 -6.6667 4.8092 2.6252 C 0 0 0 0 0 0 0 0 0 -7.2196 4.9512 0.2902 C 0 0 0 0 0 0 0 0 0 -7.8410 5.1292 -2.0305 C 0 0 0 0 0 0 0 0 0 -7.5387 5.1944 1.6196 C 0 0 0 0 0 0 0 0 0 -8.1200 5.3522 -0.6906 C 0 0 0 0 0 0 0 0 0 -1.2628 1.9833 0.0419 C 0 0 0 0 0 0 0 0 0 -1.7672 2.2104 1.4376 C 0 0 0 0 0 0 0 0 0 -1.0756 1.7997 2.3372 O 0 0 0 0 0 0 0 0 0 -4.0948 -2.7056 -2.8860 H 0 0 0 0 0 0 0 0 0 -3.7952 -4.8045 -1.6994 H 0 0 0 0 0 0 0 0 0 -3.6748 -0.3192 -3.0705 H 0 0 0 0 0 0 0 0 0 -2.6909 1.7009 -2.1926 H 0 0 0 0 0 0 0 0 0 -2.4864 -4.8754 0.3543 H 0 0 0 0 0 0 0 0 0 -1.4798 -2.8474 1.2346 H 0 0 0 0 0 0 0 0 0 -1.0991 -0.4541 1.0554 H 0 0 0 0 0 0 0 0 0 -3.6514 3.0868 -0.2754 H 0 0 0 0 0 0 0 0 0 -2.7766 2.8918 3.8364 H 0 0 0 0 0 0 0 0 0 -4.8759 3.9986 4.3340 H 0 0 0 0 0 0 0 0 0 -4.8806 3.6389 -1.7264 H 0 0 0 0 0 0 0 0 0 -6.4393 4.3323 -3.3991 H 0 0 0 0 0 0 0 0 0 -6.9175 4.9987 3.6283 H 0 0 0 0 0 0 0 0 0 -8.5223 5.4324 -2.7707 H 0 0 0 0 0 0 0 0 0 -8.4411 5.6709 1.8717 H 0 0 0 0 0 0 0 0 0 -9.0189 5.8272 -0.4242 H 0 0 0 0 0 0 0 0 0 -0.1852 1.8983 0.0981 H 0 0 0 0 0 0 0 0 0 -1.4780 2.8621 -0.5502 H 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 10 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 7 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 2 0 0 0 0 7 32 1 0 0 0 0 8 10 2 0 0 0 0 8 9 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 1 1 M END > 35489 > K $$$$ 35866 1016 111283D 35866 32 34 0 1 V2000 2.3816 -1.1267 -2.8289 N 0 0 0 0 0 0 0 0 0 0.3480 -1.9033 -1.1490 S 0 0 0 0 0 0 0 0 0 3.0750 -2.2595 -4.7804 N 0 0 0 0 0 0 0 0 0 -0.2256 -4.3792 -2.8304 H 0 0 0 0 0 0 0 0 0 0.4720 -4.1720 -3.4726 N 0 0 0 0 0 0 0 0 0 1.8231 -4.3025 -5.2315 N 0 0 0 0 0 0 0 0 0 0.7924 0.7455 -5.5644 C 0 0 0 0 0 0 0 0 0 1.3965 1.6072 -4.6584 C 0 0 0 0 0 0 0 0 0 -0.2101 -0.1158 -5.1391 C 0 0 0 0 0 0 0 0 0 -0.6077 -0.1144 -3.8087 C 0 0 0 0 0 0 0 0 0 1.0001 1.6056 -3.3273 C 0 0 0 0 0 0 0 0 0 -0.0029 0.7441 -2.8973 C 0 0 0 0 0 0 0 0 0 1.4204 -2.0472 -2.5677 C 0 0 0 0 0 0 0 0 0 1.2950 -3.1118 -3.4440 C 0 0 0 0 0 0 0 0 0 2.1320 -3.1920 -4.5358 C 0 0 0 0 0 0 0 0 0 0.8034 -4.8916 -4.5649 C 0 0 0 0 0 0 0 0 0 3.1890 -1.2254 -3.9148 C 0 0 0 0 0 0 0 0 0 4.1219 -0.2748 -4.1347 N 0 0 0 0 0 0 0 0 0 0.4596 -0.1712 -0.6034 C 0 0 0 0 0 0 0 0 0 -0.4304 0.7371 -1.4551 C 0 0 0 0 0 0 0 0 0 1.0935 0.7451 -6.5707 H 0 0 0 0 0 0 0 0 0 2.1531 2.2606 -4.9807 H 0 0 0 0 0 0 0 0 0 -0.6685 -0.7679 -5.8234 H 0 0 0 0 0 0 0 0 0 -1.3685 -0.7666 -3.4933 H 0 0 0 0 0 0 0 0 0 1.4618 2.2594 -2.6471 H 0 0 0 0 0 0 0 0 0 0.3373 -5.7870 -4.8616 H 0 0 0 0 0 0 0 0 0 4.7028 -0.3379 -4.9078 H 0 0 0 0 0 0 0 0 0 4.2069 0.4676 -3.5185 H 0 0 0 0 0 0 0 0 0 0.1162 -0.1217 0.4196 H 0 0 0 0 0 0 0 0 0 1.4858 0.1649 -0.6425 H 0 0 0 0 0 0 0 0 0 -0.3825 1.7434 -1.0650 H 0 0 0 0 0 0 0 0 0 -1.4539 0.3962 -1.3800 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 2 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 5 16 1 0 0 0 0 5 14 1 0 0 0 0 6 16 2 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 M END > 35866 > K $$$$ 35949 1016 111283D 35949 61 66 0 1 V2000 2.7580 3.1842 0.3075 H 0 0 0 0 0 0 0 0 0 1.8111 2.9734 0.2810 N 0 0 0 0 0 0 0 0 0 -0.5953 1.9413 3.6289 N 0 0 0 0 0 0 0 0 0 -0.2187 -0.7103 4.9220 S 0 0 0 0 0 0 0 0 0 -0.5532 -1.6365 3.8854 O 0 0 0 0 0 0 0 0 0 -5.4857 2.0434 -1.7123 H 0 0 0 0 0 0 0 0 0 -4.6000 2.4168 -1.5773 N 0 0 0 0 0 0 0 0 0 1.8723 0.5066 -0.1389 C 0 0 0 0 0 0 0 0 0 1.0634 -0.6113 -0.3151 C 0 0 0 0 0 0 0 0 0 1.2562 1.7295 0.0753 C 0 0 0 0 0 0 0 0 0 -0.3244 -0.4983 -0.2756 C 0 0 0 0 0 0 0 0 0 -0.1209 1.8459 0.1107 C 0 0 0 0 0 0 0 0 0 -0.9336 0.7338 -0.0612 C 0 0 0 0 0 0 0 0 0 -0.4324 3.1772 0.3324 C 0 0 0 0 0 0 0 0 0 0.7668 3.8648 0.4424 C 0 0 0 0 0 0 0 0 0 -3.7271 2.4556 -3.9228 C 0 0 0 0 0 0 0 0 0 -2.6187 2.7999 -4.6896 C 0 0 0 0 0 0 0 0 0 -3.6619 2.6638 -2.5539 C 0 0 0 0 0 0 0 0 0 -1.4808 3.3375 -4.0924 C 0 0 0 0 0 0 0 0 0 -2.5346 3.1960 -1.9572 C 0 0 0 0 0 0 0 0 0 -1.4260 3.5423 -2.7173 C 0 0 0 0 0 0 0 0 0 -2.7617 3.2831 -0.5929 C 0 0 0 0 0 0 0 0 0 -4.0444 2.7997 -0.3709 C 0 0 0 0 0 0 0 0 0 -1.3338 4.1348 2.8981 C 0 0 0 0 0 0 0 0 0 -0.5427 3.3061 3.6954 C 0 0 0 0 0 0 0 0 0 -1.2352 5.5162 3.0291 C 0 0 0 0 0 0 0 0 0 0.3433 3.8785 4.6010 C 0 0 0 0 0 0 0 0 0 -0.3533 6.0793 3.9405 C 0 0 0 0 0 0 0 0 0 0.4400 5.2575 4.7278 C 0 0 0 0 0 0 0 0 0 0.5802 1.1994 3.2309 C 0 0 0 0 0 0 0 0 0 1.1362 0.3513 4.3694 C 0 0 0 0 0 0 0 0 0 -1.8099 1.2254 3.9525 C 0 0 0 0 0 0 0 0 0 -1.6225 0.3910 5.2165 C 0 0 0 0 0 0 0 0 0 -1.7972 3.8038 0.4440 C 0 0 0 0 0 0 0 0 0 -2.3053 3.6000 1.8747 C 0 0 0 0 0 0 0 0 0 0.1404 -1.4037 6.1193 O 0 0 0 0 0 0 0 0 0 2.9188 0.4308 -0.1668 H 0 0 0 0 0 0 0 0 0 1.5040 -1.5506 -0.4796 H 0 0 0 0 0 0 0 0 0 -0.9190 -1.3539 -0.4093 H 0 0 0 0 0 0 0 0 0 -1.9797 0.8137 -0.0310 H 0 0 0 0 0 0 0 0 0 0.8631 4.8963 0.6196 H 0 0 0 0 0 0 0 0 0 -4.5892 2.0500 -4.3637 H 0 0 0 0 0 0 0 0 0 -2.6409 2.6529 -5.7295 H 0 0 0 0 0 0 0 0 0 -0.6534 3.5916 -4.6875 H 0 0 0 0 0 0 0 0 0 -0.5670 3.9482 -2.2703 H 0 0 0 0 0 0 0 0 0 -4.5223 2.7323 0.5625 H 0 0 0 0 0 0 0 0 0 -1.8318 6.1448 2.4347 H 0 0 0 0 0 0 0 0 0 0.9456 3.2623 5.1992 H 0 0 0 0 0 0 0 0 0 -0.2869 7.1236 4.0335 H 0 0 0 0 0 0 0 0 0 1.1112 5.6776 5.4179 H 0 0 0 0 0 0 0 0 0 0.3122 0.5298 2.4268 H 0 0 0 0 0 0 0 0 0 1.3559 1.8620 2.8719 H 0 0 0 0 0 0 0 0 0 1.4510 0.9844 5.1842 H 0 0 0 0 0 0 0 0 0 1.9631 -0.2543 4.0304 H 0 0 0 0 0 0 0 0 0 -2.6324 1.9054 4.1259 H 0 0 0 0 0 0 0 0 0 -2.0709 0.5671 3.1349 H 0 0 0 0 0 0 0 0 0 -2.5056 -0.1916 5.4314 H 0 0 0 0 0 0 0 0 0 -1.3960 1.0396 6.0492 H 0 0 0 0 0 0 0 0 0 -1.6964 4.8656 0.2696 H 0 0 0 0 0 0 0 0 0 -2.4812 2.5462 2.0061 H 0 0 0 0 0 0 0 0 0 -3.2481 4.1139 1.9969 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 15 1 0 0 0 0 2 10 1 0 0 0 0 3 25 1 0 0 0 0 3 30 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 36 2 0 0 0 0 4 31 1 0 0 0 0 4 33 1 0 0 0 0 6 7 1 0 0 0 0 7 23 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 13 1 0 0 0 0 13 40 1 0 0 0 0 14 34 1 0 0 0 0 14 15 2 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 21 1 0 0 0 0 21 45 1 0 0 0 0 22 34 1 0 0 0 0 22 23 2 0 0 0 0 23 46 1 0 0 0 0 24 35 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > 35949 > K $$$$ 36354 1016 111283D 36354 49 51 1 1 V2000 -3.7013 1.6780 0.3908 O 0 0 0 0 0 0 0 0 0 1.3695 4.0337 -1.7212 C 0 0 0 0 0 0 0 0 0 0.2322 3.9169 -2.7454 C 0 0 0 0 0 0 0 0 0 2.2984 2.8522 -1.8328 C 0 0 0 0 0 0 0 0 0 3.5604 3.0073 -2.3887 C 0 0 0 0 0 0 0 0 0 4.4052 1.9157 -2.5489 C 0 0 0 0 0 0 0 0 0 -0.4102 2.5241 -2.8235 C 0 0 1 0 0 0 0 0 0 1.8973 1.5993 -1.3800 C 0 0 0 0 0 0 0 0 0 3.9711 0.6454 -2.1716 C 0 0 0 0 0 0 0 0 0 -0.6640 1.9758 -1.4317 C 0 0 0 0 0 0 0 0 0 2.7264 0.4948 -1.5575 C 0 0 0 0 0 0 0 0 0 0.5533 1.4509 -0.6941 C 0 0 0 0 0 0 0 0 0 -1.9309 2.0071 -0.9889 C 0 0 0 0 0 0 0 0 0 0.6035 0.8622 0.5117 C 0 0 0 0 0 0 0 0 0 -2.5078 1.5085 0.2986 C 0 0 0 0 0 0 0 0 0 -0.4833 0.5742 1.5038 C 0 0 0 0 0 0 0 0 0 -1.7916 0.8436 1.4482 C 0 0 0 0 0 0 0 0 0 5.6561 2.0852 -3.0699 O 0 0 0 0 0 0 0 0 0 5.7682 2.8980 -4.2224 C 0 0 0 0 0 0 0 0 0 4.7534 -0.4521 -2.4026 O 0 0 0 0 0 0 0 0 0 6.0392 -0.4056 -1.8143 C 0 0 0 0 0 0 0 0 0 2.2463 -0.7012 -1.0997 O 0 0 0 0 0 0 0 0 0 2.5827 -1.8532 -1.8495 C 0 0 0 0 0 0 0 0 0 -2.4479 0.4482 2.5816 O 0 0 0 0 0 0 0 0 0 -3.7959 0.0367 2.4476 C 0 0 0 0 0 0 0 0 0 -1.5846 2.5715 -3.6867 N 0 0 0 0 0 0 0 0 0 1.8976 4.9639 -1.8745 H 0 0 0 0 0 0 0 0 0 0.9479 4.0591 -0.7259 H 0 0 0 0 0 0 0 0 0 -0.5251 4.6464 -2.4956 H 0 0 0 0 0 0 0 0 0 0.6176 4.1566 -3.7263 H 0 0 0 0 0 0 0 0 0 3.8823 3.9589 -2.6892 H 0 0 0 0 0 0 0 0 0 0.2850 1.8577 -3.3172 H 0 0 0 0 0 0 0 0 0 -2.6457 2.4411 -1.6234 H 0 0 0 0 0 0 0 0 0 1.5550 0.5484 0.8311 H 0 0 0 0 0 0 0 0 0 -0.1718 0.0861 2.3799 H 0 0 0 0 0 0 0 0 0 6.7430 2.7272 -4.6547 H 0 0 0 0 0 0 0 0 0 5.0189 2.6326 -4.9558 H 0 0 0 0 0 0 0 0 0 5.6884 3.9472 -3.9781 H 0 0 0 0 0 0 0 0 0 5.9565 -0.2462 -0.7483 H 0 0 0 0 0 0 0 0 0 6.5233 -1.3559 -1.9839 H 0 0 0 0 0 0 0 0 0 6.6617 0.3640 -2.2442 H 0 0 0 0 0 0 0 0 0 1.8952 -2.6436 -1.5866 H 0 0 0 0 0 0 0 0 0 2.4985 -1.6676 -2.9118 H 0 0 0 0 0 0 0 0 0 3.5847 -2.1836 -1.6195 H 0 0 0 0 0 0 0 0 0 -4.4477 0.8836 2.2931 H 0 0 0 0 0 0 0 0 0 -3.9100 -0.6667 1.6338 H 0 0 0 0 0 0 0 0 0 -4.0977 -0.4526 3.3621 H 0 0 0 0 0 0 0 0 0 -1.3731 2.9468 -4.5905 H 0 0 0 0 0 0 0 0 0 -1.9957 1.6643 -3.7913 H 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 7 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 18 1 0 0 0 0 6 9 2 0 0 0 0 7 26 1 6 0 0 0 7 10 1 1 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 11 2 0 0 0 0 9 20 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M END > 36354 > K $$$$ 36437 1016 111283D 36437 59 60 1 1 V2000 -0.6008 1.2867 -0.1947 C 0 0 0 0 0 0 0 0 0 -0.3999 -0.2230 0.0065 C 0 0 1 0 0 0 0 0 0 0.6754 2.0817 -0.0913 C 0 0 0 0 0 0 0 0 0 0.4702 -0.8599 -1.0973 C 0 0 2 0 0 0 0 0 0 1.2750 2.5456 -1.2010 C 0 0 0 0 0 0 0 0 0 3.3861 3.1261 -2.4621 C 0 0 0 0 0 0 0 0 0 -0.0622 -2.1458 -1.6903 C 0 0 0 0 0 0 0 0 0 1.8969 -1.0979 -0.5785 C 0 0 0 0 0 0 0 0 0 2.5840 3.2922 -1.1647 C 0 0 0 0 0 0 0 0 0 4.8625 3.0180 -2.1692 C 0 0 0 0 0 0 0 0 0 0.9014 -3.2791 -1.9362 C 0 0 0 0 0 0 0 0 0 2.7212 -1.7990 -1.6664 C 0 0 1 0 0 0 0 0 0 4.9718 -0.5560 -1.9453 C 0 0 0 0 0 0 0 0 0 5.3997 1.9202 -1.6074 C 0 0 0 0 0 0 0 0 0 4.2472 -1.8172 -1.4373 C 0 0 1 0 0 0 0 0 0 4.5898 0.7180 -1.1956 C 0 0 0 0 0 0 0 0 0 2.2435 -3.1330 -1.7504 O 0 0 0 0 0 0 0 0 0 0.1995 -0.4809 1.2635 O 0 0 0 0 0 0 0 0 0 -1.8211 -0.2294 2.1897 O 0 0 0 0 0 0 0 0 0 0.4846 -4.3506 -2.3057 O 0 0 0 0 0 0 0 0 0 -0.6653 -0.5614 2.3087 C 0 0 0 0 0 0 0 0 0 5.7470 4.1816 -2.5209 C 0 0 0 0 0 0 0 0 0 4.5118 -1.9770 -0.0592 O 0 0 0 0 0 0 0 0 0 1.2468 2.3318 1.2787 C 0 0 0 0 0 0 0 0 0 4.8260 -3.0136 -2.2041 C 0 0 0 0 0 0 0 0 0 -1.3551 -2.3086 -2.0079 C 0 0 0 0 0 0 0 0 0 -0.1698 -1.0712 3.6236 C 0 0 0 0 0 0 0 0 0 -1.0675 1.4522 -1.1555 H 0 0 0 0 0 0 0 0 0 -1.2836 1.6419 0.5633 H 0 0 0 0 0 0 0 0 0 -1.3855 -0.6658 -0.0280 H 0 0 0 0 0 0 0 0 0 0.5284 -0.1699 -1.9269 H 0 0 0 0 0 0 0 0 0 0.8164 2.3854 -2.1331 H 0 0 0 0 0 0 0 0 0 3.0799 2.2377 -2.9958 H 0 0 0 0 0 0 0 0 0 3.1900 3.9710 -3.1072 H 0 0 0 0 0 0 0 0 0 2.3181 -0.1626 -0.2577 H 0 0 0 0 0 0 0 0 0 1.8758 -1.7521 0.2819 H 0 0 0 0 0 0 0 0 0 2.3973 4.3424 -0.9931 H 0 0 0 0 0 0 0 0 0 3.1686 2.9219 -0.3351 H 0 0 0 0 0 0 0 0 0 2.5513 -1.3159 -2.6192 H 0 0 0 0 0 0 0 0 0 6.0364 -0.7006 -1.8233 H 0 0 0 0 0 0 0 0 0 4.7663 -0.4176 -2.9973 H 0 0 0 0 0 0 0 0 0 6.4366 1.8912 -1.4407 H 0 0 0 0 0 0 0 0 0 3.5503 0.8973 -1.3943 H 0 0 0 0 0 0 0 0 0 4.7227 0.5643 -0.1344 H 0 0 0 0 0 0 0 0 0 6.7652 4.0129 -2.2011 H 0 0 0 0 0 0 0 0 0 5.7375 4.3263 -3.5915 H 0 0 0 0 0 0 0 0 0 5.3743 5.0741 -2.0396 H 0 0 0 0 0 0 0 0 0 5.4437 -2.1088 0.0829 H 0 0 0 0 0 0 0 0 0 2.1176 1.7110 1.4281 H 0 0 0 0 0 0 0 0 0 1.5227 3.3718 1.3804 H 0 0 0 0 0 0 0 0 0 0.5164 2.0975 2.0389 H 0 0 0 0 0 0 0 0 0 5.8992 -3.0488 -2.0920 H 0 0 0 0 0 0 0 0 0 4.4122 -3.9328 -1.8152 H 0 0 0 0 0 0 0 0 0 4.5837 -2.9363 -3.2547 H 0 0 0 0 0 0 0 0 0 -2.0484 -1.5328 -1.8694 H 0 0 0 0 0 0 0 0 0 -1.6868 -3.2249 -2.4023 H 0 0 0 0 0 0 0 0 0 0.1914 -2.0802 3.4920 H 0 0 0 0 0 0 0 0 0 0.6346 -0.4426 3.9736 H 0 0 0 0 0 0 0 0 0 -0.9764 -1.0664 4.3412 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 18 1 1 0 0 0 2 4 1 6 0 0 0 2 30 1 0 0 0 0 3 24 1 0 0 0 0 3 5 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 1 0 0 0 4 31 1 6 0 0 0 5 9 1 0 0 0 0 5 32 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 7 26 2 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 22 1 0 0 0 0 10 14 2 0 0 0 0 11 17 1 0 0 0 0 11 20 2 0 0 0 0 12 17 1 0 0 0 0 12 15 1 1 0 0 0 12 39 1 6 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 15 23 1 1 0 0 0 15 25 1 6 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 21 27 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > 36437 > K $$$$ 36693 1016 111283D 36693 52 55 1 1 V2000 0.4742 1.3983 -0.1001 C 0 0 0 0 0 0 0 0 0 -0.9073 1.9684 0.0183 C 0 0 2 0 0 0 0 0 0 0.8513 3.5036 0.2521 C 0 0 2 0 0 0 0 0 0 -1.8478 1.2833 -0.9818 C 0 0 0 0 0 0 0 0 0 -0.5958 3.4538 -0.2614 C 0 0 1 0 0 0 0 0 0 1.6768 4.6957 -0.2089 C 0 0 0 0 0 0 0 0 0 -1.5053 1.5423 -2.4526 C 0 0 0 0 0 0 0 0 0 -0.8016 3.9168 -1.7310 C 0 0 2 0 0 0 0 0 0 1.5822 4.8496 -1.7253 C 0 0 1 0 0 0 0 0 0 -0.5625 2.7272 -2.6832 C 0 0 0 0 0 0 0 0 0 0.1052 5.1310 -2.0933 C 0 0 1 0 0 0 0 0 0 1.1354 7.1551 -6.2305 C 0 0 0 0 0 0 0 0 0 0.0510 7.1870 -5.3825 C 0 0 0 0 0 0 0 0 0 0.6354 7.3514 -7.5034 C 0 0 0 0 0 0 0 0 0 -1.0584 7.3971 -6.1801 C 0 0 0 0 0 0 0 0 0 -0.7348 7.5063 -7.5159 O 0 0 0 0 0 0 0 0 0 1.4818 2.3021 -0.1286 O 0 0 0 0 0 0 0 0 0 0.6813 0.2108 -0.1669 O 0 0 0 0 0 0 0 0 0 2.6123 5.8980 -2.1639 C 0 0 0 0 0 0 0 0 0 0.0729 7.0201 -3.8929 C 0 0 0 0 0 0 0 0 0 -0.0186 5.5233 -3.5828 C 0 0 0 0 0 0 0 0 0 -0.3796 6.1873 -1.2870 O 0 0 0 0 0 0 0 0 0 -2.2740 4.3717 -1.8477 C 0 0 0 0 0 0 0 0 0 -1.4225 1.7292 1.4432 C 0 0 0 0 0 0 0 0 0 0.8406 3.5351 1.3343 H 0 0 0 0 0 0 0 0 0 -1.8461 0.2157 -0.8101 H 0 0 0 0 0 0 0 0 0 -2.8530 1.6313 -0.7951 H 0 0 0 0 0 0 0 0 0 -1.1821 4.1012 0.3765 H 0 0 0 0 0 0 0 0 0 1.3179 5.5925 0.2760 H 0 0 0 0 0 0 0 0 0 2.7020 4.5271 0.0889 H 0 0 0 0 0 0 0 0 0 -1.0448 0.6614 -2.8770 H 0 0 0 0 0 0 0 0 0 -2.4308 1.7184 -2.9828 H 0 0 0 0 0 0 0 0 0 1.8953 3.9229 -2.1846 H 0 0 0 0 0 0 0 0 0 0.4487 2.3719 -2.5526 H 0 0 0 0 0 0 0 0 0 -0.6701 3.0238 -3.7159 H 0 0 0 0 0 0 0 0 0 2.1398 7.0108 -5.9620 H 0 0 0 0 0 0 0 0 0 1.2329 7.3794 -8.3669 H 0 0 0 0 0 0 0 0 0 -2.0403 7.4674 -5.8113 H 0 0 0 0 0 0 0 0 0 3.5961 5.6020 -1.8276 H 0 0 0 0 0 0 0 0 0 2.6417 5.9663 -3.2414 H 0 0 0 0 0 0 0 0 0 2.3827 6.8666 -1.7454 H 0 0 0 0 0 0 0 0 0 0.9809 7.4547 -3.5072 H 0 0 0 0 0 0 0 0 0 -0.7707 7.5321 -3.4511 H 0 0 0 0 0 0 0 0 0 0.7297 4.9835 -4.1471 H 0 0 0 0 0 0 0 0 0 -0.9769 5.2251 -3.9750 H 0 0 0 0 0 0 0 0 0 0.1927 6.9454 -1.3281 H 0 0 0 0 0 0 0 0 0 -2.4361 5.2683 -1.2670 H 0 0 0 0 0 0 0 0 0 -2.5571 4.5730 -2.8687 H 0 0 0 0 0 0 0 0 0 -2.9538 3.6246 -1.4734 H 0 0 0 0 0 0 0 0 0 -0.7413 2.1357 2.1763 H 0 0 0 0 0 0 0 0 0 -2.3876 2.1989 1.5667 H 0 0 0 0 0 0 0 0 0 -1.5259 0.6682 1.6222 H 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 2 0 0 0 0 1 2 1 0 0 0 0 2 5 1 0 0 0 0 2 4 1 6 0 0 0 2 24 1 1 0 0 0 3 17 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 6 0 0 0 3 25 1 1 0 0 0 4 7 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 8 1 6 0 0 0 5 28 1 1 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 10 1 6 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 9 33 1 6 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 22 1 1 0 0 0 11 21 1 6 0 0 0 12 14 2 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 20 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M END > 36693 > K $$$$ 36826 1016 111283D 36826 29 31 0 1 V2000 -2.5032 1.0937 1.3037 N 0 0 0 0 0 0 0 0 0 -1.2748 -0.9230 -0.0995 S 0 0 0 0 0 0 0 0 0 -1.9415 3.3840 1.2252 N 0 0 0 0 0 0 0 0 0 0.6407 1.0562 -1.4403 H 0 0 0 0 0 0 0 0 0 0.2592 1.8180 -0.9752 N 0 0 0 0 0 0 0 0 0 0.1180 -3.2210 1.8514 Cl 0 0 0 0 0 0 0 0 0 -0.1084 3.9002 -0.2925 N 0 0 0 0 0 0 0 0 0 -1.7256 -1.6958 5.0570 C 0 0 0 0 0 0 0 0 0 -0.8136 -2.3327 4.2259 C 0 0 0 0 0 0 0 0 0 -2.8760 -1.1342 4.5196 C 0 0 0 0 0 0 0 0 0 -1.0497 -2.4106 2.8595 C 0 0 0 0 0 0 0 0 0 -3.1115 -1.2108 3.1531 C 0 0 0 0 0 0 0 0 0 -2.2014 -1.8491 2.3168 C 0 0 0 0 0 0 0 0 0 -1.5361 0.7662 0.4111 C 0 0 0 0 0 0 0 0 0 -0.7538 1.7923 -0.0937 C 0 0 0 0 0 0 0 0 0 -0.9795 3.0846 0.3293 C 0 0 0 0 0 0 0 0 0 0.6438 3.1068 -1.0891 C 0 0 0 0 0 0 0 0 0 -2.7007 2.3735 1.7075 C 0 0 0 0 0 0 0 0 0 -3.6713 2.6440 2.6056 N 0 0 0 0 0 0 0 0 0 -2.4671 -1.9273 0.8381 C 0 0 0 0 0 0 0 0 0 -1.5454 -1.6392 6.0903 H 0 0 0 0 0 0 0 0 0 0.0580 -2.7571 4.6301 H 0 0 0 0 0 0 0 0 0 -3.5676 -0.6516 5.1463 H 0 0 0 0 0 0 0 0 0 -3.9841 -0.7825 2.7544 H 0 0 0 0 0 0 0 0 0 1.4198 3.4535 -1.7092 H 0 0 0 0 0 0 0 0 0 -3.8170 3.5568 2.8971 H 0 0 0 0 0 0 0 0 0 -4.2188 1.9261 2.9561 H 0 0 0 0 0 0 0 0 0 -3.4638 -1.5774 0.6133 H 0 0 0 0 0 0 0 0 0 -2.3857 -2.9562 0.5183 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 2 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 18 1 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 5 17 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 7 17 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 9 11 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 M END > 36826 > K $$$$ 37364 1016 111283D 37364 19 20 0 1 V2000 0.5544 0.3474 -1.1499 N 0 0 0 0 0 0 0 0 0 2.3403 1.4276 -0.0525 N 0 0 0 0 0 0 0 0 0 0.3257 0.1654 2.4923 N 0 0 0 0 0 0 0 0 0 -0.4440 -0.3096 2.8450 H 0 0 0 0 0 0 0 0 0 2.2171 1.3242 2.3757 N 0 0 0 0 0 0 0 0 0 -0.0253 -0.0208 0.0224 C 0 0 0 0 0 0 0 0 0 0.6133 0.3565 1.1938 C 0 0 0 0 0 0 0 0 0 1.7870 1.0754 1.1249 C 0 0 0 0 0 0 0 0 0 1.3079 0.7583 3.2027 C 0 0 0 0 0 0 0 0 0 1.7105 1.0552 -1.1896 C 0 0 0 0 0 0 0 0 0 2.2460 1.3965 -2.3810 N 0 0 0 0 0 0 0 0 0 -1.1872 -0.7324 0.0757 O 0 0 0 0 0 0 0 0 0 -1.7392 -1.0552 -1.1857 C 0 0 0 0 0 0 0 0 0 1.3638 0.7804 4.2531 H 0 0 0 0 0 0 0 0 0 3.0724 1.9025 -2.4095 H 0 0 0 0 0 0 0 0 0 1.8048 1.1360 -3.2034 H 0 0 0 0 0 0 0 0 0 -1.9746 -0.1576 -1.7408 H 0 0 0 0 0 0 0 0 0 -1.0533 -1.6643 -1.7582 H 0 0 0 0 0 0 0 0 0 -2.6508 -1.6143 -1.0335 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 2 0 0 0 0 2 10 1 0 0 0 0 2 8 2 0 0 0 0 3 9 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 5 9 2 0 0 0 0 5 8 1 0 0 0 0 6 12 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 M END > 37364 > K $$$$ 38534 1016 111283D 38534 46 47 1 1 V2000 0.8973 6.3364 3.7991 O 0 0 0 0 0 0 0 0 0 0.2142 3.8705 7.0296 N 0 0 0 0 0 0 0 0 0 -1.1227 3.9507 7.6190 C 0 0 0 0 0 0 0 0 0 -1.3041 2.8976 8.7109 C 0 0 0 0 0 0 0 0 0 -0.2131 3.0519 9.7699 C 0 0 0 0 0 0 0 0 0 1.1632 2.9514 9.1134 C 0 0 0 0 0 0 0 0 0 1.2928 4.0016 8.0115 C 0 0 0 0 0 0 0 0 0 1.3735 2.9316 4.4879 C 0 0 0 0 0 0 0 0 0 1.5071 4.3838 4.9655 C 0 0 1 0 0 0 0 0 0 2.4327 2.5974 3.4347 C 0 0 0 0 0 0 0 0 0 1.5546 5.3221 3.7945 C 0 0 0 0 0 0 0 0 0 2.2674 3.5201 2.2243 C 0 0 0 0 0 0 0 0 0 2.4323 4.9935 2.6220 C 0 0 1 0 0 0 0 0 0 2.1034 5.9330 1.4585 C 0 0 0 0 0 0 0 0 0 2.8924 5.6366 0.2637 N 0 0 0 0 0 0 0 0 0 2.2879 6.1790 -0.9491 C 0 0 0 0 0 0 0 0 0 4.3068 5.9823 0.3775 C 0 0 0 0 0 0 0 0 0 0.3532 4.7777 5.8907 C 0 0 0 0 0 0 0 0 0 -1.2803 4.9349 8.0393 H 0 0 0 0 0 0 0 0 0 -1.8727 3.7761 6.8600 H 0 0 0 0 0 0 0 0 0 -2.2756 3.0153 9.1687 H 0 0 0 0 0 0 0 0 0 -1.2409 1.9139 8.2674 H 0 0 0 0 0 0 0 0 0 -0.3123 4.0159 10.2492 H 0 0 0 0 0 0 0 0 0 -0.3179 2.2774 10.5157 H 0 0 0 0 0 0 0 0 0 1.9320 3.1100 9.8558 H 0 0 0 0 0 0 0 0 0 1.2882 1.9681 8.6826 H 0 0 0 0 0 0 0 0 0 2.2564 3.8668 7.5428 H 0 0 0 0 0 0 0 0 0 1.2629 4.9871 8.4556 H 0 0 0 0 0 0 0 0 0 1.4813 2.2641 5.3318 H 0 0 0 0 0 0 0 0 0 0.3939 2.7795 4.0558 H 0 0 0 0 0 0 0 0 0 2.4446 4.4928 5.4889 H 0 0 0 0 0 0 0 0 0 3.4204 2.7192 3.8567 H 0 0 0 0 0 0 0 0 0 2.3145 1.5698 3.1215 H 0 0 0 0 0 0 0 0 0 3.0039 3.2648 1.4750 H 0 0 0 0 0 0 0 0 0 1.2839 3.3653 1.8022 H 0 0 0 0 0 0 0 0 0 3.4509 5.1555 2.9395 H 0 0 0 0 0 0 0 0 0 1.0478 5.8233 1.2461 H 0 0 0 0 0 0 0 0 0 2.2744 6.9574 1.7608 H 0 0 0 0 0 0 0 0 0 2.8349 5.8446 -1.8189 H 0 0 0 0 0 0 0 0 0 1.2668 5.8370 -1.0412 H 0 0 0 0 0 0 0 0 0 2.2938 7.2599 -0.9208 H 0 0 0 0 0 0 0 0 0 4.8410 5.6396 -0.4967 H 0 0 0 0 0 0 0 0 0 4.4238 7.0535 0.4630 H 0 0 0 0 0 0 0 0 0 4.7518 5.5144 1.2428 H 0 0 0 0 0 0 0 0 0 -0.5502 4.7745 5.2946 H 0 0 0 0 0 0 0 0 0 0.5065 5.7869 6.2485 H 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 1 0 0 0 9 31 1 6 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 1 0 0 0 13 36 1 6 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 M END > 38534 > K $$$$ 38721 1016 111283D 38721 28 29 1 1 V2000 -0.7834 3.8408 2.2909 Cl 0 0 0 0 0 0 0 0 0 1.1166 -2.4198 0.4752 Cl 0 0 0 0 0 0 0 0 0 0.0293 1.3928 -0.1189 C 0 0 0 0 0 0 0 0 0 1.2068 2.0937 0.1207 C 0 0 0 0 0 0 0 0 0 0.0006 0.0084 -0.0110 C 0 0 0 0 0 0 0 0 0 1.1512 -0.6857 0.3370 C 0 0 0 0 0 0 0 0 0 2.3576 1.3912 0.4655 C 0 0 0 0 0 0 0 0 0 2.3304 0.0069 0.5746 C 0 0 0 0 0 0 0 0 0 3.0661 4.6119 1.4234 C 0 0 0 0 0 0 0 0 0 1.7417 4.2009 1.2938 C 0 0 0 0 0 0 0 0 0 3.5219 5.1717 2.6094 C 0 0 0 0 0 0 0 0 0 0.8821 4.3485 2.3797 C 0 0 0 0 0 0 0 0 0 2.6565 5.3224 3.6837 C 0 0 0 0 0 0 0 0 0 1.3366 4.9092 3.5662 C 0 0 0 0 0 0 0 0 0 1.9765 4.0206 -1.2634 C 0 0 0 0 0 0 0 0 0 1.1693 3.3461 -2.7259 Cl 0 0 0 0 0 0 0 0 0 1.9932 5.8155 -1.4177 Cl 0 0 0 0 0 0 0 0 0 1.2264 3.5985 0.0048 C 0 0 1 0 0 0 0 0 0 -0.8475 1.9078 -0.3832 H 0 0 0 0 0 0 0 0 0 -0.8915 -0.5153 -0.1924 H 0 0 0 0 0 0 0 0 0 3.2562 1.9032 0.6467 H 0 0 0 0 0 0 0 0 0 3.2013 -0.5178 0.8372 H 0 0 0 0 0 0 0 0 0 3.7398 4.5062 0.6258 H 0 0 0 0 0 0 0 0 0 4.5224 5.4809 2.6927 H 0 0 0 0 0 0 0 0 0 2.9994 5.7476 4.5812 H 0 0 0 0 0 0 0 0 0 0.6789 5.0205 4.3776 H 0 0 0 0 0 0 0 0 0 2.9932 3.6571 -1.2423 H 0 0 0 0 0 0 0 0 0 0.2151 3.9534 -0.1357 H 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 4 18 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 23 1 0 0 0 0 10 18 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 18 28 1 6 0 0 0 M END > 38721 > K $$$$ 39202 1016 111283D 39202 53 55 1 1 V2000 -2.3615 7.1679 4.2027 N 0 0 0 0 0 0 0 0 0 -4.9793 7.7131 1.0282 O 0 0 0 0 0 0 0 0 0 -2.6458 6.4966 -2.6639 N 0 0 0 0 0 0 0 0 0 -3.8137 7.6289 0.7244 C 0 0 0 0 0 0 0 0 0 -3.3995 7.8215 -0.7038 C 0 0 1 0 0 0 0 0 0 -2.7637 7.3240 1.7566 C 0 0 1 0 0 0 0 0 0 -2.1819 8.7521 -0.7809 C 0 0 0 0 0 0 0 0 0 -1.5492 8.2485 1.5928 C 0 0 0 0 0 0 0 0 0 -1.0515 8.2943 0.1452 C 0 0 0 0 0 0 0 0 0 -3.6898 6.8828 -3.6146 C 0 0 0 0 0 0 0 0 0 -3.1102 7.0620 -5.0165 C 0 0 0 0 0 0 0 0 0 -2.3859 5.7876 -5.4490 C 0 0 0 0 0 0 0 0 0 -1.2919 5.4468 -4.4375 C 0 0 0 0 0 0 0 0 0 -1.9003 5.2956 -3.0438 C 0 0 0 0 0 0 0 0 0 -1.9598 5.7619 4.3031 C 0 0 0 0 0 0 0 0 0 -0.8290 5.5858 5.3162 C 0 0 0 0 0 0 0 0 0 -1.2472 6.1529 6.6723 C 0 0 0 0 0 0 0 0 0 -1.6408 7.6215 6.5167 C 0 0 0 0 0 0 0 0 0 -2.7578 7.7563 5.4826 C 0 0 0 0 0 0 0 0 0 -3.3581 7.4249 3.1629 C 0 0 0 0 0 0 0 0 0 -3.1248 6.4316 -1.2858 C 0 0 0 0 0 0 0 0 0 -4.2195 8.2802 -1.2358 H 0 0 0 0 0 0 0 0 0 -2.4476 6.3085 1.5810 H 0 0 0 0 0 0 0 0 0 -1.8223 8.8009 -1.7989 H 0 0 0 0 0 0 0 0 0 -2.4860 9.7470 -0.4865 H 0 0 0 0 0 0 0 0 0 -1.8210 9.2506 1.8927 H 0 0 0 0 0 0 0 0 0 -0.7482 7.9052 2.2324 H 0 0 0 0 0 0 0 0 0 -0.6958 7.3193 -0.1556 H 0 0 0 0 0 0 0 0 0 -0.2289 8.9903 0.0718 H 0 0 0 0 0 0 0 0 0 -4.4608 6.1246 -3.6398 H 0 0 0 0 0 0 0 0 0 -4.1409 7.8204 -3.3238 H 0 0 0 0 0 0 0 0 0 -3.9080 7.2832 -5.7113 H 0 0 0 0 0 0 0 0 0 -2.4126 7.8875 -5.0046 H 0 0 0 0 0 0 0 0 0 -3.0934 4.9716 -5.5029 H 0 0 0 0 0 0 0 0 0 -1.9450 5.9348 -6.4244 H 0 0 0 0 0 0 0 0 0 -0.8043 4.5254 -4.7227 H 0 0 0 0 0 0 0 0 0 -0.5596 6.2416 -4.4177 H 0 0 0 0 0 0 0 0 0 -1.0916 5.1278 -2.3452 H 0 0 0 0 0 0 0 0 0 -2.5537 4.4339 -3.0278 H 0 0 0 0 0 0 0 0 0 -2.8058 5.1593 4.6049 H 0 0 0 0 0 0 0 0 0 -1.6017 5.3945 3.3528 H 0 0 0 0 0 0 0 0 0 -0.5922 4.5360 5.4180 H 0 0 0 0 0 0 0 0 0 0.0461 6.1112 4.9609 H 0 0 0 0 0 0 0 0 0 -2.0897 5.5920 7.0527 H 0 0 0 0 0 0 0 0 0 -0.4264 6.0690 7.3701 H 0 0 0 0 0 0 0 0 0 -1.9771 8.0121 7.4665 H 0 0 0 0 0 0 0 0 0 -0.7838 8.1903 6.1846 H 0 0 0 0 0 0 0 0 0 -2.9661 8.8099 5.3547 H 0 0 0 0 0 0 0 0 0 -3.6512 7.2706 5.8514 H 0 0 0 0 0 0 0 0 0 -4.1762 6.7243 3.2626 H 0 0 0 0 0 0 0 0 0 -3.7636 8.4224 3.2680 H 0 0 0 0 0 0 0 0 0 -4.0253 5.8343 -1.2342 H 0 0 0 0 0 0 0 0 0 -2.3811 5.9472 -0.6689 H 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 4 2 0 0 0 0 3 21 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 21 1 0 0 0 0 5 7 1 1 0 0 0 5 22 1 6 0 0 0 6 20 1 0 0 0 0 6 8 1 1 0 0 0 6 23 1 6 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 M END > 39202 > K $$$$ 40212 1016 111283D 40212 16 16 0 1 V2000 1.0551 3.7550 0.0181 Cl 0 0 0 0 0 0 0 0 0 -0.0280 1.3225 -0.0075 N 0 0 0 0 0 0 0 0 0 3.7801 -0.9866 -0.0324 Cl 0 0 0 0 0 0 0 0 0 1.1329 -0.6977 -0.0292 N 0 0 0 0 0 0 0 0 0 1.1313 2.0151 -0.0057 C 0 0 0 0 0 0 0 0 0 2.3481 1.3443 -0.0232 C 0 0 0 0 0 0 0 0 0 2.3151 -0.0445 -0.0276 C 0 0 0 0 0 0 0 0 0 -0.0369 -0.0264 -0.0064 C 0 0 0 0 0 0 0 0 0 3.6524 2.0942 -0.0346 C 0 0 0 0 0 0 0 0 0 -1.3335 -0.7718 0.0178 C 0 0 0 0 0 0 0 0 0 3.9667 2.2640 0.9853 H 0 0 0 0 0 0 0 0 0 4.4134 1.5278 -0.5517 H 0 0 0 0 0 0 0 0 0 3.5414 3.0449 -0.5356 H 0 0 0 0 0 0 0 0 0 -1.6531 -0.9442 -0.9984 H 0 0 0 0 0 0 0 0 0 -1.1997 -1.7177 0.5203 H 0 0 0 0 0 0 0 0 0 -2.0785 -0.1884 0.5372 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 2 5 2 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 M END > 40212 > K $$$$ 40341 1016 111283D 40341 48 52 0 1 V2000 0.3581 3.8262 1.7275 O 0 0 0 0 0 0 0 0 0 4.7568 1.5529 0.0449 O 0 0 0 0 0 0 0 0 0 2.4158 -0.2668 -0.3257 Cl 0 0 0 0 0 0 0 0 0 0.1159 1.2423 0.6649 N 0 0 0 0 0 0 0 0 0 -2.4964 0.8312 1.3165 N 0 0 0 0 0 0 0 0 0 -4.6889 2.1680 2.7147 Cl 0 0 0 0 0 0 0 0 0 -7.0692 0.4040 2.2913 O 0 0 0 0 0 0 0 0 0 -2.8508 -1.5724 -0.0842 O 0 0 0 0 0 0 0 0 0 -3.7391 -1.2159 0.6569 C 0 0 0 0 0 0 0 0 0 -4.9044 -2.0968 0.9180 C 0 0 0 0 0 0 0 0 0 -3.6851 0.1100 1.3254 C 0 0 0 0 0 0 0 0 0 -4.8825 -3.4340 0.5373 C 0 0 0 0 0 0 0 0 0 -5.9863 -4.2366 0.7949 C 0 0 0 0 0 0 0 0 0 -7.1031 -3.7114 1.4260 C 0 0 0 0 0 0 0 0 0 -6.0321 -1.5664 1.5548 C 0 0 0 0 0 0 0 0 0 -4.7715 0.6172 1.9373 C 0 0 0 0 0 0 0 0 0 -7.1326 -2.3761 1.8082 C 0 0 0 0 0 0 0 0 0 -6.0387 -0.1358 1.9544 C 0 0 0 0 0 0 0 0 0 -1.5055 0.6414 2.3808 C 0 0 0 0 0 0 0 0 0 -0.1606 0.2805 1.7366 C 0 0 0 0 0 0 0 0 0 1.3067 3.3724 1.1276 C 0 0 0 0 0 0 0 0 0 1.3046 1.9634 0.6562 C 0 0 0 0 0 0 0 0 0 2.4957 4.2147 0.8463 C 0 0 0 0 0 0 0 0 0 2.4477 5.5927 1.0263 C 0 0 0 0 0 0 0 0 0 3.5747 6.3575 0.7544 C 0 0 0 0 0 0 0 0 0 2.4379 1.3807 0.2227 C 0 0 0 0 0 0 0 0 0 3.6724 3.6056 0.3952 C 0 0 0 0 0 0 0 0 0 4.7400 5.7545 0.3073 C 0 0 0 0 0 0 0 0 0 3.7048 2.1305 0.2085 C 0 0 0 0 0 0 0 0 0 4.7957 4.3782 0.1262 C 0 0 0 0 0 0 0 0 0 -2.2204 1.7843 0.2371 C 0 0 0 0 0 0 0 0 0 -0.8723 1.4276 -0.4027 C 0 0 0 0 0 0 0 0 0 -4.0187 -3.8466 0.0473 H 0 0 0 0 0 0 0 0 0 -5.9759 -5.2707 0.5032 H 0 0 0 0 0 0 0 0 0 -7.9512 -4.3421 1.6199 H 0 0 0 0 0 0 0 0 0 -8.0023 -1.9746 2.2970 H 0 0 0 0 0 0 0 0 0 -1.3952 1.5667 2.9454 H 0 0 0 0 0 0 0 0 0 -1.8260 -0.1592 3.0464 H 0 0 0 0 0 0 0 0 0 -0.2140 -0.7247 1.3193 H 0 0 0 0 0 0 0 0 0 0.6279 0.3258 2.4866 H 0 0 0 0 0 0 0 0 0 1.5462 6.0657 1.3726 H 0 0 0 0 0 0 0 0 0 3.5443 7.4229 0.8911 H 0 0 0 0 0 0 0 0 0 5.6056 6.3567 0.1002 H 0 0 0 0 0 0 0 0 0 5.7028 3.9165 -0.2208 H 0 0 0 0 0 0 0 0 0 -3.0120 1.7366 -0.5096 H 0 0 0 0 0 0 0 0 0 -2.1618 2.7921 0.6469 H 0 0 0 0 0 0 0 0 0 -0.5564 2.2340 -1.0632 H 0 0 0 0 0 0 0 0 0 -0.9716 0.5037 -0.9718 H 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 29 2 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 20 1 0 0 0 0 4 32 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 5 31 1 0 0 0 0 6 16 1 0 0 0 0 7 18 2 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 10 15 2 0 0 0 0 10 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 17 2 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 28 1 0 0 0 0 25 42 1 0 0 0 0 26 29 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 30 2 0 0 0 0 28 43 1 0 0 0 0 30 44 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 M END > 40341 > K $$$$ 40666 1016 111283D 40666 46 49 1 2 V2000 8.5646 -1.2002 4.3017 N 0 0 0 0 0 0 0 0 0 8.5102 -3.0101 5.8071 N 0 0 0 0 0 0 0 0 0 9.0181 -4.4363 2.6410 N 0 5 0 0 0 0 0 0 0 9.5560 -7.1424 5.7738 O 0 0 0 0 0 0 0 0 0 6.6201 -1.6256 -1.0201 Cl 0 0 0 0 0 0 0 0 0 8.8147 -5.1562 4.7218 N 0 3 0 0 0 0 0 0 0 8.2351 -1.5594 -1.6712 C 0 0 0 0 0 0 0 0 0 9.3251 -2.0289 -0.9447 C 0 0 0 0 0 0 0 0 0 8.4220 -1.0262 -2.9401 C 0 0 0 0 0 0 0 0 0 9.6958 -0.9564 -3.4885 C 0 0 0 0 0 0 0 0 0 10.7860 -1.4190 -2.7638 C 0 0 0 0 0 0 0 0 0 10.6001 -1.9515 -1.4947 C 0 0 0 0 0 0 0 0 0 8.7607 -2.0070 3.2278 C 0 0 0 0 0 0 0 0 0 8.8350 -3.3738 3.4568 C 0 0 0 0 0 0 0 0 0 8.7061 -3.8230 4.7522 C 0 0 0 0 0 0 0 0 0 9.0083 -5.5259 3.4390 C 0 0 0 0 0 0 0 0 0 8.4405 -1.6844 5.5608 C 0 0 0 0 0 0 0 0 0 8.7307 -5.9959 5.8726 C 0 0 1 0 0 0 0 0 0 7.3220 -6.5519 6.0458 C 0 0 1 0 0 0 0 0 0 7.6706 -7.5473 7.1442 C 0 0 1 0 0 0 0 0 0 8.9632 -8.1433 6.5830 C 0 0 1 0 0 0 0 0 0 8.2441 -0.8294 6.5875 N 0 0 0 0 0 0 0 0 0 8.9081 -1.2611 1.6129 S 0 0 0 0 0 0 0 0 0 9.1405 -2.6161 0.4267 C 0 0 0 0 0 0 0 0 0 7.9052 -10.2711 6.5309 O 0 0 0 0 0 0 0 0 0 8.6974 -9.3985 5.7550 C 0 0 0 0 0 0 0 0 0 7.9719 -6.8262 8.3227 O 0 0 0 0 0 0 0 0 0 6.3675 -5.5771 6.4168 O 0 0 0 0 0 0 0 0 0 7.5961 -0.6750 -3.4853 H 0 0 0 0 0 0 0 0 0 9.8343 -0.5547 -4.4491 H 0 0 0 0 0 0 0 0 0 11.7513 -1.3665 -3.1746 H 0 0 0 0 0 0 0 0 0 11.4296 -2.2975 -0.9505 H 0 0 0 0 0 0 0 0 0 9.1350 -6.5138 3.0996 H 0 0 0 0 0 0 0 0 0 8.9869 -5.4242 6.7578 H 0 0 0 0 0 0 0 0 0 7.0264 -7.0579 5.1367 H 0 0 0 0 0 0 0 0 0 6.8861 -8.2737 7.3103 H 0 0 0 0 0 0 0 0 0 9.6102 -8.4116 7.4065 H 0 0 0 0 0 0 0 0 0 8.1948 0.1230 6.4148 H 0 0 0 0 0 0 0 0 0 8.1528 -1.1669 7.4909 H 0 0 0 0 0 0 0 0 0 8.2782 -3.2665 0.4469 H 0 0 0 0 0 0 0 0 0 10.0105 -3.1888 0.7140 H 0 0 0 0 0 0 0 0 0 7.7845 -11.0907 6.0577 H 0 0 0 0 0 0 0 0 0 8.1784 -9.1349 4.8441 H 0 0 0 0 0 0 0 0 0 9.6430 -9.8576 5.5004 H 0 0 0 0 0 0 0 0 0 8.0485 -7.4291 9.0578 H 0 0 0 0 0 0 0 0 0 5.5039 -5.9776 6.4582 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 2 0 0 0 0 2 17 1 0 0 0 0 2 15 2 0 0 0 0 3 16 1 0 0 0 0 3 14 1 0 0 0 0 4 18 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 6 18 1 0 0 0 0 6 16 2 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 24 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 23 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 16 33 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 1 0 0 0 18 34 1 0 0 0 0 19 28 1 1 0 0 0 19 20 1 6 0 0 0 19 35 1 0 0 0 0 20 27 1 1 0 0 0 20 21 1 6 0 0 0 20 36 1 0 0 0 0 21 26 1 6 0 0 0 21 37 1 1 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 2 3 -1 6 1 M END > 40666 > K $$$$ 41809 1016 111283D 41809 15 14 1 1 V2000 -0.0469 1.3010 0.2087 C 0 0 0 0 0 0 0 0 0 -0.0699 -0.0521 0.1980 O 0 0 0 0 0 0 0 0 0 1.0324 1.8913 0.3498 O 0 0 0 0 0 0 0 0 0 -1.3264 2.0646 0.0527 C 0 0 0 0 0 0 0 0 0 -1.0907 3.5743 0.0152 C 0 0 1 0 0 0 0 0 0 -0.1317 4.0415 -1.4604 S 0 0 0 0 0 0 0 0 0 -2.4112 4.2862 0.0496 C 0 0 0 0 0 0 0 0 0 -2.7403 5.0649 -0.8554 O 0 0 0 0 0 0 0 0 0 -3.2556 4.0726 1.0868 O 0 0 0 0 0 0 0 0 0 0.8278 -0.3462 0.3041 H 0 0 0 0 0 0 0 0 0 -1.8146 1.7444 -0.8561 H 0 0 0 0 0 0 0 0 0 -1.9563 1.8171 0.8944 H 0 0 0 0 0 0 0 0 0 -0.5415 3.8697 0.8969 H 0 0 0 0 0 0 0 0 0 -0.9311 3.7142 -2.4915 H 0 0 0 0 0 0 0 0 0 -4.0183 4.6227 0.9460 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 5 13 1 1 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 9 15 1 0 0 0 0 M END > 41809 > K $$$$ 43321 1016 111283D 43321 54 56 1 1 V2000 5.4979 3.7897 -1.0975 C 0 0 0 0 0 0 0 0 0 5.1301 4.8685 -0.3041 C 0 0 0 0 0 0 0 0 0 4.3359 9.5167 2.1881 C 0 0 0 0 0 0 0 0 0 3.9765 10.5813 3.0028 C 0 0 0 0 0 0 0 0 0 2.4484 0.7217 2.7585 C 0 0 1 0 0 0 0 0 0 4.6314 2.7127 -1.2434 C 0 0 0 0 0 0 0 0 0 3.9015 4.8840 0.3501 C 0 0 0 0 0 0 0 0 0 3.6592 8.3046 2.2537 C 0 0 0 0 0 0 0 0 0 2.9251 10.4516 3.9073 C 0 0 0 0 0 0 0 0 0 1.2233 -0.1939 2.7374 C 0 0 1 0 0 0 0 0 0 2.5421 0.8118 0.3951 C 0 0 1 0 0 0 0 0 0 3.4067 2.7146 -0.5916 C 0 0 0 0 0 0 0 0 0 3.0495 3.7957 0.2032 C 0 0 0 0 0 0 0 0 0 2.6108 8.1743 3.1588 C 0 0 0 0 0 0 0 0 0 2.2479 9.2372 3.9754 C 0 0 0 0 0 0 0 0 0 1.2941 -1.0341 1.4574 C 0 0 1 0 0 0 0 0 0 1.3143 -0.0970 0.2517 C 0 0 1 0 0 0 0 0 0 2.6248 11.5422 4.6773 O 0 0 0 0 0 0 0 0 0 2.5578 1.6638 -0.7332 O 0 0 0 0 0 0 0 0 0 2.4924 1.5485 1.6046 O 0 0 0 0 0 0 0 0 0 1.6489 11.4124 5.6932 C 0 0 0 0 0 0 0 0 0 4.6880 11.7337 2.8767 O 0 0 0 0 0 0 0 0 0 4.0997 7.1890 1.3375 C 0 0 0 0 0 0 0 0 0 3.4389 6.0267 1.2193 C 0 0 0 0 0 0 0 0 0 6.7102 3.8295 -1.7100 O 0 0 0 0 0 0 0 0 0 0.0856 0.6026 0.2073 O 0 0 0 0 0 0 0 0 0 2.4147 1.5775 4.0240 C 0 0 0 0 0 0 0 0 0 2.4697 -1.8224 1.4450 O 0 0 0 0 0 0 0 0 0 1.2221 -1.0076 3.8950 O 0 0 0 0 0 0 0 0 0 1.2279 2.3403 4.1000 O 0 0 0 0 0 0 0 0 0 5.8010 5.6688 -0.2101 H 0 0 0 0 0 0 0 0 0 5.1321 9.6412 1.5151 H 0 0 0 0 0 0 0 0 0 3.3359 0.1053 2.8055 H 0 0 0 0 0 0 0 0 0 4.8977 1.8953 -1.8441 H 0 0 0 0 0 0 0 0 0 0.3359 0.4255 2.7142 H 0 0 0 0 0 0 0 0 0 3.4363 0.2008 0.3793 H 0 0 0 0 0 0 0 0 0 2.1210 3.7802 0.6942 H 0 0 0 0 0 0 0 0 0 2.0796 7.2735 3.2400 H 0 0 0 0 0 0 0 0 0 1.4521 9.1099 4.6465 H 0 0 0 0 0 0 0 0 0 0.4125 -1.6581 1.4091 H 0 0 0 0 0 0 0 0 0 1.4263 -0.6782 -0.6521 H 0 0 0 0 0 0 0 0 0 0.6779 11.2134 5.2622 H 0 0 0 0 0 0 0 0 0 1.9160 10.6232 6.3824 H 0 0 0 0 0 0 0 0 0 1.5964 12.3412 6.2426 H 0 0 0 0 0 0 0 0 0 4.3462 12.3837 3.4837 H 0 0 0 0 0 0 0 0 0 4.9675 7.3438 0.7678 H 0 0 0 0 0 0 0 0 0 2.5466 5.8903 1.7540 H 0 0 0 0 0 0 0 0 0 6.8558 3.0440 -2.2255 H 0 0 0 0 0 0 0 0 0 0.1711 1.3195 -0.4166 H 0 0 0 0 0 0 0 0 0 2.4781 0.9250 4.8847 H 0 0 0 0 0 0 0 0 0 3.2754 2.2311 4.0133 H 0 0 0 0 0 0 0 0 0 2.3551 -2.5560 0.8479 H 0 0 0 0 0 0 0 0 0 0.4078 -1.4996 3.9297 H 0 0 0 0 0 0 0 0 0 1.2583 2.8790 4.8833 H 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 7 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 3 32 1 0 0 0 0 4 22 1 0 0 0 0 4 9 2 0 0 0 0 5 20 1 0 0 0 0 5 10 1 0 0 0 0 5 27 1 1 0 0 0 5 33 1 6 0 0 0 6 12 2 0 0 0 0 6 34 1 0 0 0 0 7 24 1 0 0 0 0 7 13 2 0 0 0 0 8 23 1 0 0 0 0 8 14 1 0 0 0 0 9 18 1 0 0 0 0 9 15 1 0 0 0 0 10 29 1 0 0 0 0 10 16 1 6 0 0 0 10 35 1 1 0 0 0 11 19 1 0 0 0 0 11 20 1 1 0 0 0 11 17 1 0 0 0 0 11 36 1 6 0 0 0 12 19 1 0 0 0 0 12 13 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 28 1 6 0 0 0 16 17 1 0 0 0 0 16 40 1 1 0 0 0 17 26 1 1 0 0 0 17 41 1 6 0 0 0 18 21 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 30 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > 43321 > K $$$$ 44690 1016 111283D 44690 51 53 0 2 V2000 -4.8841 -11.2110 -6.2721 N 0 0 0 0 0 0 0 0 0 -5.7468 -11.9331 -5.4829 C 0 0 0 0 0 0 0 0 0 -7.0249 -11.4605 -5.1936 C 0 0 0 0 0 0 0 0 0 -5.3642 -13.1605 -4.9496 C 0 0 0 0 0 0 0 0 0 -7.8971 -12.1872 -4.3943 C 0 0 0 0 0 0 0 0 0 -6.2239 -13.8953 -4.1450 C 0 0 0 0 0 0 0 0 0 -7.4977 -13.4081 -3.8662 C 0 0 0 0 0 0 0 0 0 -5.7790 -15.1023 -3.6416 O 0 3 0 0 0 0 0 0 0 -8.3480 -14.1547 -3.0626 C 0 0 0 0 0 0 0 0 0 -6.6429 -15.8266 -2.8432 C 0 0 0 0 0 0 0 0 0 -7.9243 -15.3713 -2.5462 C 0 0 0 0 0 0 0 0 0 -8.7562 -16.1380 -1.7407 C 0 0 0 0 0 0 0 0 0 -6.2050 -17.0398 -2.3307 C 0 0 0 0 0 0 0 0 0 -8.3067 -17.3520 -1.2389 C 0 0 0 0 0 0 0 0 0 -7.0273 -17.8228 -1.5256 C 0 0 0 0 0 0 0 0 0 -6.5849 -19.0264 -1.0302 N 0 0 0 0 0 0 0 0 0 -5.3635 -10.2356 -7.2298 C 0 0 0 0 0 0 0 0 0 -6.2018 -10.9021 -8.3197 C 0 0 0 0 0 0 0 0 0 -3.4497 -11.3849 -6.1917 C 0 0 0 0 0 0 0 0 0 -2.9545 -12.3001 -7.3087 C 0 0 0 0 0 0 0 0 0 -5.5194 -19.7690 -1.6683 C 0 0 0 0 0 0 0 0 0 -4.1912 -19.5228 -0.9567 C 0 0 0 0 0 0 0 0 0 -7.1613 -19.6185 0.1594 C 0 0 0 0 0 0 0 0 0 -6.9059 -18.7434 1.3858 C 0 0 0 0 0 0 0 0 0 -7.3493 -10.5383 -5.5775 H 0 0 0 0 0 0 0 0 0 -4.4117 -13.5507 -5.1526 H 0 0 0 0 0 0 0 0 0 -8.8569 -11.8056 -4.1936 H 0 0 0 0 0 0 0 0 0 -9.3149 -13.7983 -2.8451 H 0 0 0 0 0 0 0 0 0 -9.7273 -15.8075 -1.5062 H 0 0 0 0 0 0 0 0 0 -5.2326 -17.3591 -2.5614 H 0 0 0 0 0 0 0 0 0 -8.9564 -17.9143 -0.6353 H 0 0 0 0 0 0 0 0 0 -5.9368 -9.4613 -6.7404 H 0 0 0 0 0 0 0 0 0 -4.5347 -9.7465 -7.7245 H 0 0 0 0 0 0 0 0 0 -7.0891 -11.3484 -7.8970 H 0 0 0 0 0 0 0 0 0 -6.4967 -10.1634 -9.0509 H 0 0 0 0 0 0 0 0 0 -5.6187 -11.6692 -8.8076 H 0 0 0 0 0 0 0 0 0 -2.9569 -10.4271 -6.2922 H 0 0 0 0 0 0 0 0 0 -3.1494 -11.7848 -5.2334 H 0 0 0 0 0 0 0 0 0 -1.8911 -12.4583 -7.2026 H 0 0 0 0 0 0 0 0 0 -3.4620 -13.2521 -7.2659 H 0 0 0 0 0 0 0 0 0 -3.1470 -11.8409 -8.2674 H 0 0 0 0 0 0 0 0 0 -5.7350 -20.8285 -1.6302 H 0 0 0 0 0 0 0 0 0 -5.4251 -19.5136 -2.7142 H 0 0 0 0 0 0 0 0 0 -4.2484 -19.8912 0.0573 H 0 0 0 0 0 0 0 0 0 -3.4002 -20.0446 -1.4756 H 0 0 0 0 0 0 0 0 0 -3.9675 -18.4670 -0.9359 H 0 0 0 0 0 0 0 0 0 -8.2216 -19.7856 0.0355 H 0 0 0 0 0 0 0 0 0 -6.7142 -20.5828 0.3616 H 0 0 0 0 0 0 0 0 0 -7.3907 -17.7852 1.2762 H 0 0 0 0 0 0 0 0 0 -7.2948 -19.2336 2.2665 H 0 0 0 0 0 0 0 0 0 -5.8435 -18.5899 1.5070 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 4 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 3 25 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 M CHG 1 8 1 M END > 44690 > K $$$$ 45383 1016 111283D 45383 59 62 0 1 V2000 4.8846 -5.0170 0.5663 N 0 0 0 0 0 0 0 0 0 2.2891 -7.6216 0.6704 N 0 0 0 0 0 0 0 0 0 2.0649 -9.7159 4.8605 O 0 0 0 0 0 0 0 0 0 0.1413 -9.2846 -0.0465 O 0 0 0 0 0 0 0 0 0 0.5781 -9.3750 1.0773 C 0 0 0 0 0 0 0 0 0 -0.0332 -10.3582 2.0403 C 0 0 0 0 0 0 0 0 0 1.7257 -8.5132 1.5155 C 0 0 0 0 0 0 0 0 0 0.4428 -10.4816 3.2913 C 0 0 0 0 0 0 0 0 0 2.2194 -8.6305 2.8050 C 0 0 0 0 0 0 0 0 0 1.6070 -9.6229 3.7454 C 0 0 0 0 0 0 0 0 0 3.2764 -7.8215 3.1984 C 0 0 0 0 0 0 0 0 0 3.8265 -6.9156 2.3015 C 0 0 0 0 0 0 0 0 0 3.6198 -5.7012 -1.3131 C 0 0 0 0 0 0 0 0 0 4.3560 -4.7994 -2.0870 C 0 0 0 0 0 0 0 0 0 3.9421 -5.8309 0.0398 C 0 0 0 0 0 0 0 0 0 3.3241 -6.8171 1.0082 C 0 0 0 0 0 0 0 0 0 5.3625 -4.0182 -1.5152 C 0 0 0 0 0 0 0 0 0 4.0594 -4.6670 -3.5645 C 0 0 0 0 0 0 0 0 0 3.7552 -3.4214 -4.0993 C 0 0 0 0 0 0 0 0 0 3.4724 -3.2967 -5.4510 C 0 0 0 0 0 0 0 0 0 4.0872 -5.7818 -4.3974 C 0 0 0 0 0 0 0 0 0 3.4755 -4.4132 -6.2776 C 0 0 0 0 0 0 0 0 0 5.5705 -4.0980 -0.1421 C 0 0 0 0 0 0 0 0 0 3.7767 -5.6709 -5.7522 C 0 0 0 0 0 0 0 0 0 3.1797 -4.2328 -7.5963 O 0 0 0 0 0 0 0 0 0 1.8179 -3.9233 -7.8263 C 0 0 0 0 0 0 0 0 0 3.7859 -6.8300 -6.4844 O 0 0 0 0 0 0 0 0 0 4.0183 -6.7232 -7.8773 C 0 0 0 0 0 0 0 0 0 4.4296 -6.9743 -3.8366 O 0 0 0 0 0 0 0 0 0 6.2283 -3.0992 -2.3448 C 0 0 0 0 0 0 0 0 0 6.5282 -3.2114 0.6155 C 0 0 0 0 0 0 0 0 0 7.1592 -2.3048 0.0541 O 0 0 0 0 0 0 0 0 0 6.7147 -3.3942 1.9466 O 0 0 0 0 0 0 0 0 0 2.6095 -6.4243 -1.8913 N 0 0 0 0 0 0 0 0 0 -1.1417 -11.1693 1.6065 N 0 0 0 0 0 0 0 0 0 -0.1806 -11.4065 4.0837 O 0 0 0 0 0 0 0 0 0 0.1680 -11.4372 5.4538 C 0 0 0 0 0 0 0 0 0 3.6622 -7.8919 4.1740 H 0 0 0 0 0 0 0 0 0 4.6262 -6.3059 2.6074 H 0 0 0 0 0 0 0 0 0 3.7369 -2.5696 -3.4842 H 0 0 0 0 0 0 0 0 0 3.2543 -2.3528 -5.8549 H 0 0 0 0 0 0 0 0 0 1.1832 -4.7188 -7.4591 H 0 0 0 0 0 0 0 0 0 1.5399 -2.9927 -7.3532 H 0 0 0 0 0 0 0 0 0 1.6591 -3.8267 -8.8905 H 0 0 0 0 0 0 0 0 0 3.1462 -6.3425 -8.3874 H 0 0 0 0 0 0 0 0 0 4.8641 -6.0803 -8.0777 H 0 0 0 0 0 0 0 0 0 4.2367 -7.7053 -8.2711 H 0 0 0 0 0 0 0 0 0 4.4364 -7.6590 -4.4969 H 0 0 0 0 0 0 0 0 0 5.8711 -2.0835 -2.2564 H 0 0 0 0 0 0 0 0 0 7.2526 -3.1472 -2.0051 H 0 0 0 0 0 0 0 0 0 6.2412 -3.3863 -3.3854 H 0 0 0 0 0 0 0 0 0 7.3638 -2.7615 2.2300 H 0 0 0 0 0 0 0 0 0 2.1395 -7.1199 -1.4146 H 0 0 0 0 0 0 0 0 0 2.3284 -6.2641 -2.8033 H 0 0 0 0 0 0 0 0 0 -1.1318 -11.3140 0.6166 H 0 0 0 0 0 0 0 0 0 -1.1904 -12.0458 2.0873 H 0 0 0 0 0 0 0 0 0 0.0254 -10.4684 5.9126 H 0 0 0 0 0 0 0 0 0 -0.4730 -12.1481 5.9529 H 0 0 0 0 0 0 0 0 0 1.1931 -11.7565 5.5769 H 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 15 2 0 0 0 0 2 16 1 0 0 0 0 2 7 2 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 35 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 16 2 0 0 0 0 12 39 1 0 0 0 0 13 34 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 30 1 0 0 0 0 17 23 2 0 0 0 0 18 21 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 29 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 24 1 0 0 0 0 23 31 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 33 1 0 0 0 0 31 32 2 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 37 1 0 0 0 0 37 57 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 M END > 45383 > K $$$$ 45388 1016 111283D 45388 23 23 0 1 V2000 0.0468 -0.4614 1.7771 N 0 0 0 0 0 0 0 0 0 1.2003 -0.2027 -0.0808 N 0 0 0 0 0 0 0 0 0 1.4211 -0.0517 -1.0130 H 0 0 0 0 0 0 0 0 0 3.4365 -0.4843 0.7667 N 0 0 0 0 0 0 0 0 0 1.3611 -0.5919 2.0660 C 0 0 0 0 0 0 0 0 0 2.0878 -0.4289 0.9012 C 0 0 0 0 0 0 0 0 0 -0.0339 -0.2227 0.4527 C 0 0 0 0 0 0 0 0 0 1.9391 -0.8684 3.4247 C 0 0 0 0 0 0 0 0 0 3.1312 -0.9771 3.5792 O 0 0 0 0 0 0 0 0 0 1.1476 -1.0043 4.5162 N 0 0 0 0 0 0 0 0 0 3.9130 -0.3173 -0.2120 N 0 0 0 0 0 0 0 0 0 5.3950 -0.3337 -0.3443 N 0 0 0 0 0 0 0 0 0 5.7871 0.4178 -1.5261 C 0 0 0 0 0 0 0 0 0 5.9076 -1.6958 -0.3078 C 0 0 0 0 0 0 0 0 0 -0.9301 -0.0751 -0.0783 H 0 0 0 0 0 0 0 0 0 1.5549 -1.1822 5.3773 H 0 0 0 0 0 0 0 0 0 0.1846 -0.9248 4.4390 H 0 0 0 0 0 0 0 0 0 5.4191 1.4297 -1.4384 H 0 0 0 0 0 0 0 0 0 6.8635 0.4441 -1.6143 H 0 0 0 0 0 0 0 0 0 5.3634 -0.0356 -2.4107 H 0 0 0 0 0 0 0 0 0 5.6202 -2.1597 0.6246 H 0 0 0 0 0 0 0 0 0 5.4964 -2.2680 -1.1269 H 0 0 0 0 0 0 0 0 0 6.9858 -1.6920 -0.3771 H 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 5 1 0 0 0 0 2 7 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 4 6 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M END > 45388 > K $$$$ 45575 1016 111283D 45575 37 40 0 1 V2000 0.1751 0.9570 -0.8410 N 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 0 0 0 0 0 0 0 0 3.7511 3.1116 -0.8007 C 0 0 0 0 0 0 0 0 0 2.7742 3.4694 -1.7455 C 0 0 0 0 0 0 0 0 0 3.5318 2.0912 0.0734 C 0 0 0 0 0 0 0 0 0 2.9866 4.5208 -2.6538 C 0 0 0 0 0 0 0 0 0 2.0161 4.8386 -3.5545 C 0 0 0 0 0 0 0 0 0 2.3482 1.3666 0.0715 C 0 0 0 0 0 0 0 0 0 1.5503 2.7583 -1.7850 C 0 0 0 0 0 0 0 0 0 0.8138 4.1365 -3.5911 C 0 0 0 0 0 0 0 0 0 1.3375 1.6660 -0.8360 C 0 0 0 0 0 0 0 0 0 0.5747 3.1117 -2.7240 C 0 0 0 0 0 0 0 0 0 -1.1647 -0.6991 0.0094 C 0 0 0 0 0 0 0 0 0 -1.1637 -2.1622 0.0077 C 0 0 0 0 0 0 0 0 0 -2.3932 -0.0326 0.0247 C 0 0 0 0 0 0 0 0 0 0.0305 -2.8912 -0.0025 C 0 0 0 0 0 0 0 0 0 -0.0118 -4.2544 -0.0042 C 0 0 0 0 0 0 0 0 0 -3.5865 -0.7535 0.0328 C 0 0 0 0 0 0 0 0 0 -2.4026 -2.8473 0.0162 C 0 0 0 0 0 0 0 0 0 -1.2283 -4.9316 0.0041 C 0 0 0 0 0 0 0 0 0 -3.6022 -2.1125 0.0261 C 0 0 0 0 0 0 0 0 0 -2.4089 -4.2524 0.0146 C 0 0 0 0 0 0 0 0 0 -2.4246 1.3237 0.0323 O 0 0 0 0 0 0 0 0 0 4.6876 3.6489 -0.7707 H 0 0 0 0 0 0 0 0 0 4.3009 1.8382 0.7883 H 0 0 0 0 0 0 0 0 0 3.9141 5.0738 -2.6372 H 0 0 0 0 0 0 0 0 0 2.1813 5.6468 -4.2514 H 0 0 0 0 0 0 0 0 0 2.2108 0.5635 0.7803 H 0 0 0 0 0 0 0 0 0 0.0600 4.4085 -4.3150 H 0 0 0 0 0 0 0 0 0 -0.3622 2.5757 -2.7619 H 0 0 0 0 0 0 0 0 0 0.9804 -2.3774 -0.0094 H 0 0 0 0 0 0 0 0 0 0.9106 -4.8161 -0.0125 H 0 0 0 0 0 0 0 0 0 -4.5240 -0.2174 0.0449 H 0 0 0 0 0 0 0 0 0 -1.2359 -6.0115 0.0022 H 0 0 0 0 0 0 0 0 0 -4.5474 -2.6349 0.0327 H 0 0 0 0 0 0 0 0 0 -3.3450 -4.7910 0.0213 H 0 0 0 0 0 0 0 0 0 -2.4438 1.8115 -0.8024 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 4 9 1 0 0 0 0 4 6 1 0 0 0 0 5 8 2 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 14 1 0 0 0 0 14 19 2 0 0 0 0 14 16 1 0 0 0 0 15 23 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > 45575 > K $$$$ 47438 1016 111283D 47438 61 64 1 1 V2000 4.8336 3.9250 8.1385 O 0 0 0 0 0 0 0 0 0 2.3582 3.8003 3.9314 F 0 0 0 0 0 0 0 0 0 4.5240 3.1242 1.5209 H 0 0 0 0 0 0 0 0 0 1.5964 2.5680 1.8115 H 0 0 0 0 0 0 0 0 0 0.9582 3.5807 -0.4113 C 0 0 1 0 0 0 0 0 0 1.4918 2.2420 -0.9554 C 0 0 0 0 0 0 0 0 0 2.1722 4.0721 0.3947 C 0 0 1 0 0 0 0 0 0 1.8435 5.1721 1.4124 C 0 0 0 0 0 0 0 0 0 3.0064 5.4034 2.3891 C 0 0 1 0 0 0 0 0 0 2.4758 1.7160 0.0982 C 0 0 0 0 0 0 0 0 0 2.4513 2.7904 1.1850 C 0 0 1 0 0 0 0 0 0 3.4397 4.1091 3.1166 C 0 0 2 0 0 0 0 0 0 3.6527 2.9343 2.1278 C 0 0 1 0 0 0 0 0 0 4.6809 4.2750 4.0366 C 0 0 1 0 0 0 0 0 0 4.5048 5.4611 4.9675 C 0 0 0 0 0 0 0 0 0 4.5484 5.3573 6.3013 C 0 0 0 0 0 0 0 0 0 3.8856 1.6186 2.8811 C 0 0 0 0 0 0 0 0 0 4.9080 2.9317 4.7243 C 0 0 0 0 0 0 0 0 0 4.7831 4.0284 6.9364 C 0 0 0 0 0 0 0 0 0 5.0770 1.7128 3.8379 C 0 0 1 0 0 0 0 0 0 4.9559 2.8287 6.0635 C 0 0 0 0 0 0 0 0 0 4.0867 6.0048 1.7075 O 0 0 0 0 0 0 0 0 0 5.9819 4.6273 3.2939 C 0 0 0 0 0 0 0 0 0 5.2382 0.3641 4.5469 C 0 0 0 0 0 0 0 0 0 3.3353 4.5247 -0.5187 C 0 0 0 0 0 0 0 0 0 0.5986 4.5973 -1.4678 C 0 0 0 0 0 0 0 0 0 1.0613 4.5113 -2.5813 O 0 0 0 0 0 0 0 0 0 -0.3266 5.7322 -1.1547 C 0 0 0 0 0 0 0 0 0 -0.0829 3.3606 0.5345 O 0 0 0 0 0 0 0 0 0 -1.2098 2.7607 0.0615 C 0 0 0 0 0 0 0 0 0 -1.4479 2.7448 -1.1224 O 0 0 0 0 0 0 0 0 0 -2.1660 2.1140 1.0139 C 0 0 0 0 0 0 0 0 0 0.6936 1.5406 -1.1447 H 0 0 0 0 0 0 0 0 0 2.0279 2.4005 -1.8795 H 0 0 0 0 0 0 0 0 0 1.6209 6.0951 0.8984 H 0 0 0 0 0 0 0 0 0 0.9697 4.8860 1.9811 H 0 0 0 0 0 0 0 0 0 2.6524 6.1062 3.1313 H 0 0 0 0 0 0 0 0 0 2.1674 0.7578 0.4933 H 0 0 0 0 0 0 0 0 0 3.4654 1.6317 -0.3295 H 0 0 0 0 0 0 0 0 0 4.3443 6.4131 4.5530 H 0 0 0 0 0 0 0 0 0 4.4187 6.2054 6.9063 H 0 0 0 0 0 0 0 0 0 2.9971 1.3694 3.4454 H 0 0 0 0 0 0 0 0 0 4.0701 0.8271 2.1685 H 0 0 0 0 0 0 0 0 0 5.9713 1.8543 3.2484 H 0 0 0 0 0 0 0 0 0 5.1146 1.9043 6.5317 H 0 0 0 0 0 0 0 0 0 3.8137 6.8433 1.3459 H 0 0 0 0 0 0 0 0 0 5.9185 5.6017 2.8333 H 0 0 0 0 0 0 0 0 0 6.8047 4.6465 3.9949 H 0 0 0 0 0 0 0 0 0 6.2173 3.9096 2.5244 H 0 0 0 0 0 0 0 0 0 6.1167 0.3805 5.1754 H 0 0 0 0 0 0 0 0 0 4.3674 0.1520 5.1509 H 0 0 0 0 0 0 0 0 0 5.3565 -0.4229 3.8159 H 0 0 0 0 0 0 0 0 0 3.0822 5.4617 -0.9932 H 0 0 0 0 0 0 0 0 0 4.2486 4.6614 0.0357 H 0 0 0 0 0 0 0 0 0 3.5459 3.8060 -1.2952 H 0 0 0 0 0 0 0 0 0 -0.7540 5.6135 -0.1703 H 0 0 0 0 0 0 0 0 0 0.2360 6.6522 -1.1931 H 0 0 0 0 0 0 0 0 0 -1.1204 5.7650 -1.8860 H 0 0 0 0 0 0 0 0 0 -2.6172 2.8683 1.6404 H 0 0 0 0 0 0 0 0 0 -2.9346 1.6003 0.4554 H 0 0 0 0 0 0 0 0 0 -1.6331 1.4033 1.6283 H 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 11 1 0 0 0 0 5 29 1 1 0 0 0 5 26 1 6 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 10 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 1 0 0 0 7 25 1 6 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 22 1 6 0 0 0 9 12 1 0 0 0 0 9 37 1 1 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 6 0 0 0 12 14 1 0 0 0 0 12 13 1 6 0 0 0 13 17 1 1 0 0 0 14 18 1 0 0 0 0 14 15 1 1 0 0 0 14 23 1 6 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 21 1 0 0 0 0 20 24 1 1 0 0 0 20 44 1 6 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END > 47438 > K $$$$ 48151 1016 111283D 48151 72 74 0 1 V2000 2.8290 2.3970 1.1195 C 0 0 0 0 0 0 0 0 0 4.1297 2.1891 0.3397 C 0 0 0 0 0 0 0 0 0 1.6325 2.4448 0.1667 C 0 0 0 0 0 0 0 0 0 1.5631 1.1701 -0.6780 C 0 0 0 0 0 0 0 0 0 4.0584 0.9124 -0.5026 C 0 0 0 0 0 0 0 0 0 2.8644 0.9561 -1.4638 C 0 0 0 0 0 0 0 0 0 1.7974 -1.3167 -5.6504 C 0 0 0 0 0 0 0 0 0 2.3853 -1.8370 -6.7967 C 0 0 0 0 0 0 0 0 0 2.5664 -0.5617 -4.7748 C 0 0 0 0 0 0 0 0 0 3.7262 -1.6002 -7.0689 C 0 0 0 0 0 0 0 0 0 3.9063 -0.3237 -5.0578 C 0 0 0 0 0 0 0 0 0 4.5082 -0.8395 -6.2029 C 0 0 0 0 0 0 0 0 0 4.0147 -3.0286 -3.2031 C 0 0 0 0 0 0 0 0 0 2.7884 -2.7043 -2.6278 C 0 0 0 0 0 0 0 0 0 4.0997 -4.1299 -4.0422 C 0 0 0 0 0 0 0 0 0 1.6732 -3.4873 -2.9062 C 0 0 0 0 0 0 0 0 0 2.9820 -4.9108 -4.3053 C 0 0 0 0 0 0 0 0 0 1.7491 -4.6024 -3.7364 C 0 0 0 0 0 0 0 0 0 5.1598 -2.3250 -2.9932 O 0 0 0 0 0 0 0 0 0 0.5008 -5.4348 -3.9890 C 0 0 0 0 0 0 0 0 0 0.7251 -6.6435 -4.9106 C 0 0 0 0 0 0 0 0 0 -0.0246 -5.9779 -2.6528 C 0 0 0 0 0 0 0 0 0 -0.5804 -4.5661 -4.6453 C 0 0 0 0 0 0 0 0 0 2.6355 -1.5228 -1.7042 C 0 0 0 0 0 0 0 0 0 2.8033 -0.2140 -2.3492 N 0 0 0 0 0 0 0 0 0 1.9495 -0.0003 -3.5240 C 0 0 0 0 0 0 0 0 0 5.9792 -0.5599 -6.4707 C 0 0 0 0 0 0 0 0 0 6.5398 -1.2674 -7.7143 C 0 0 0 0 0 0 0 0 0 6.1700 0.9483 -6.6772 C 0 0 0 0 0 0 0 0 0 6.8296 -1.0222 -5.2790 C 0 0 0 0 0 0 0 0 0 0.4856 -1.5273 -5.3608 O 0 0 0 0 0 0 0 0 0 2.6968 1.5850 1.8210 H 0 0 0 0 0 0 0 0 0 2.8843 3.3241 1.6719 H 0 0 0 0 0 0 0 0 0 4.2966 3.0375 -0.3088 H 0 0 0 0 0 0 0 0 0 4.9544 2.1145 1.0340 H 0 0 0 0 0 0 0 0 0 0.7217 2.5451 0.7394 H 0 0 0 0 0 0 0 0 0 1.7262 3.3021 -0.4851 H 0 0 0 0 0 0 0 0 0 1.3916 0.3281 -0.0234 H 0 0 0 0 0 0 0 0 0 0.7324 1.2482 -1.3642 H 0 0 0 0 0 0 0 0 0 4.9705 0.8063 -1.0725 H 0 0 0 0 0 0 0 0 0 3.9649 0.0728 0.1693 H 0 0 0 0 0 0 0 0 0 3.0203 1.8298 -2.0836 H 0 0 0 0 0 0 0 0 0 1.8135 -2.4127 -7.4624 H 0 0 0 0 0 0 0 0 0 4.1365 -2.0088 -7.9436 H 0 0 0 0 0 0 0 0 0 4.4684 0.2568 -4.3874 H 0 0 0 0 0 0 0 0 0 5.0229 -4.3711 -4.4799 H 0 0 0 0 0 0 0 0 0 0.7518 -3.2266 -2.4756 H 0 0 0 0 0 0 0 0 0 3.0884 -5.7378 -4.9420 H 0 0 0 0 0 0 0 0 0 4.9847 -1.5262 -2.5106 H 0 0 0 0 0 0 0 0 0 -0.1963 -7.1938 -5.0399 H 0 0 0 0 0 0 0 0 0 1.0648 -6.3152 -5.8825 H 0 0 0 0 0 0 0 0 0 1.4622 -7.3084 -4.4838 H 0 0 0 0 0 0 0 0 0 -0.2858 -5.1698 -1.9854 H 0 0 0 0 0 0 0 0 0 -0.9061 -6.5825 -2.8127 H 0 0 0 0 0 0 0 0 0 0.7333 -6.5863 -2.1802 H 0 0 0 0 0 0 0 0 0 -0.8258 -3.7181 -4.0226 H 0 0 0 0 0 0 0 0 0 -0.2270 -4.2074 -5.6008 H 0 0 0 0 0 0 0 0 0 -1.4808 -5.1424 -4.8045 H 0 0 0 0 0 0 0 0 0 1.6565 -1.5568 -1.2476 H 0 0 0 0 0 0 0 0 0 3.3620 -1.6540 -0.9172 H 0 0 0 0 0 0 0 0 0 1.8034 1.0533 -3.7160 H 0 0 0 0 0 0 0 0 0 0.9749 -0.4368 -3.3525 H 0 0 0 0 0 0 0 0 0 6.0135 -0.9447 -8.6012 H 0 0 0 0 0 0 0 0 0 7.5878 -1.0338 -7.8394 H 0 0 0 0 0 0 0 0 0 6.4382 -2.3384 -7.6115 H 0 0 0 0 0 0 0 0 0 5.5826 1.2815 -7.5210 H 0 0 0 0 0 0 0 0 0 5.8572 1.4953 -5.7997 H 0 0 0 0 0 0 0 0 0 7.2100 1.1732 -6.8668 H 0 0 0 0 0 0 0 0 0 6.5601 -0.4870 -4.3806 H 0 0 0 0 0 0 0 0 0 6.6828 -2.0794 -5.1094 H 0 0 0 0 0 0 0 0 0 7.8775 -0.8435 -5.4744 H 0 0 0 0 0 0 0 0 0 0.0680 -2.0238 -6.0544 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 5 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 6 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 25 1 0 0 0 0 6 42 1 0 0 0 0 7 31 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 8 43 1 0 0 0 0 9 26 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 27 1 0 0 0 0 13 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 24 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 72 1 0 0 0 0 M END > 48151 > K $$$$ 49660 1016 111283D 49660 33 36 1 2 V2000 -1.7635 -3.3999 -1.5939 S 0 0 0 0 0 0 0 0 0 -2.2717 -0.3548 3.4803 N 0 0 0 0 0 0 0 0 0 -3.0185 -2.5460 2.7948 N 0 0 0 0 0 0 0 0 0 -0.7258 -2.2093 3.4723 N 0 0 0 0 0 0 0 0 0 -1.8609 -3.1268 3.4678 C 0 0 0 0 0 0 0 0 0 -2.6426 -2.2267 1.4194 C 0 0 0 0 0 0 0 0 0 -3.3786 -1.3062 3.4756 C 0 0 0 0 0 0 0 0 0 -0.7466 -2.2300 -0.7082 C 0 0 0 0 0 0 0 0 0 0.4887 -2.7702 -0.8479 C 0 0 0 0 0 0 0 0 0 0.6287 -3.9488 -1.5563 C 0 0 0 0 0 0 0 0 0 -0.4735 -4.5296 -2.0903 C 0 0 0 0 0 0 0 0 0 -0.3794 -1.8943 2.0882 C 0 0 0 0 0 0 0 0 0 -1.1278 -0.9757 4.1408 C 0 0 0 0 0 0 0 0 0 -1.9054 -0.0638 2.0960 C 0 0 0 0 0 0 0 0 0 -1.1555 -0.9689 0.0083 C 0 0 0 0 0 0 0 0 0 -1.5183 -1.2894 1.3953 N 0 3 2 0 0 0 0 0 0 -2.1301 -3.3650 4.4968 H 0 0 0 0 0 0 0 0 0 -1.5745 -4.0448 2.9546 H 0 0 0 0 0 0 0 0 0 -2.3572 -3.1433 0.9031 H 0 0 0 0 0 0 0 0 0 -3.4950 -1.7784 0.9090 H 0 0 0 0 0 0 0 0 0 -3.6570 -1.5333 4.5047 H 0 0 0 0 0 0 0 0 0 -4.2321 -0.8566 2.9683 H 0 0 0 0 0 0 0 0 0 1.3507 -2.2867 -0.4125 H 0 0 0 0 0 0 0 0 0 1.6017 -4.4000 -1.6826 H 0 0 0 0 0 0 0 0 0 -0.5511 -5.4400 -2.6664 H 0 0 0 0 0 0 0 0 0 0.4588 -1.1977 2.0774 H 0 0 0 0 0 0 0 0 0 -0.0908 -2.8104 1.5728 H 0 0 0 0 0 0 0 0 0 -0.2906 -0.2777 4.1331 H 0 0 0 0 0 0 0 0 0 -1.3924 -1.2007 5.1739 H 0 0 0 0 0 0 0 0 0 -2.7568 0.3876 1.5866 H 0 0 0 0 0 0 0 0 0 -1.0693 0.6355 2.0852 H 0 0 0 0 0 0 0 0 0 -0.3251 -0.2629 0.0039 H 0 0 0 0 0 0 0 0 0 -2.0126 -0.5249 -0.4981 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 12 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 15 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 M CHG 1 16 1 M END > 49660 > K $$$$ 49842 1016 111283D 49842 117125 1 1 V2000 9.0252 -28.2568 -4.0921 N 0 0 0 0 0 0 0 0 0 9.6928 -27.6686 -3.7056 H 0 0 0 0 0 0 0 0 0 12.1217 -24.8199 -9.3628 N 0 0 0 0 0 0 0 0 0 6.2170 -27.9022 -8.2407 N 0 0 0 0 0 0 0 0 0 12.6230 -22.8962 -9.4644 H 0 0 0 0 0 0 0 0 0 9.0534 -21.3455 -8.2318 N 0 0 0 0 0 0 0 0 0 8.5341 -23.1035 -9.1439 H 0 0 0 0 0 0 0 0 0 6.2268 -27.5555 -9.6560 C 0 0 0 0 0 0 0 0 0 6.7853 -26.1334 -9.7978 C 0 0 1 0 0 0 0 0 0 6.3165 -25.2269 -8.6340 C 0 0 0 0 0 0 0 0 0 5.8660 -25.8459 -7.2900 C 0 0 2 0 0 0 0 0 0 6.7462 -25.8492 -6.0174 C 0 0 0 0 0 0 0 0 0 8.1230 -26.5265 -5.7434 C 0 0 1 0 0 0 0 0 0 8.1459 -27.9519 -5.1397 C 0 0 0 0 0 0 0 0 0 6.5838 -29.2559 -7.8791 C 0 0 0 0 0 0 0 0 0 6.4168 -29.5845 -6.4002 C 0 0 0 0 0 0 0 0 0 7.4465 -29.1453 -5.3845 C 0 0 0 0 0 0 0 0 0 7.8427 -30.0870 -4.4416 C 0 0 0 0 0 0 0 0 0 7.4222 -31.3920 -4.2018 C 0 0 0 0 0 0 0 0 0 8.0174 -32.1140 -3.1725 C 0 0 0 0 0 0 0 0 0 8.8268 -29.5364 -3.6550 C 0 0 0 0 0 0 0 0 0 9.0202 -31.5447 -2.3930 C 0 0 0 0 0 0 0 0 0 9.4396 -30.2403 -2.6298 C 0 0 0 0 0 0 0 0 0 8.8465 -19.9535 -8.6387 C 0 0 0 0 0 0 0 0 0 9.5789 -19.5782 -9.8913 C 0 0 0 0 0 0 0 0 0 9.7872 -20.4887 -10.8486 C 0 0 0 0 0 0 0 0 0 9.2773 -21.9014 -10.7060 C 0 0 2 0 0 0 0 0 0 9.3315 -22.3845 -9.2369 C 0 0 1 0 0 0 0 0 0 9.9101 -21.5381 -7.0677 C 0 0 0 0 0 0 0 0 0 11.1590 -22.1306 -7.6895 C 0 0 0 0 0 0 0 0 0 10.6049 -23.0986 -8.7350 C 0 0 2 0 0 0 0 0 0 10.0466 -22.8497 -11.6408 C 0 0 2 0 0 0 0 0 0 11.7420 -23.4663 -9.7245 C 0 0 2 0 0 0 0 0 0 10.3245 -24.4410 -8.0870 C 0 0 0 0 0 0 0 0 0 9.3180 -24.8187 -7.2018 C 0 0 0 0 0 0 0 0 0 9.2407 -26.1268 -6.7096 C 0 0 0 0 0 0 0 0 0 11.2526 -25.3742 -8.4883 C 0 0 0 0 0 0 0 0 0 10.2075 -27.0490 -7.1162 C 0 0 0 0 0 0 0 0 0 11.5067 -23.0948 -11.2059 C 0 0 2 0 0 0 0 0 0 11.2152 -26.6722 -8.0021 C 0 0 0 0 0 0 0 0 0 5.1789 -27.1753 -7.5286 C 0 0 0 0 0 0 0 0 0 10.1470 -28.3191 -6.6258 O 0 0 0 0 0 0 0 0 0 10.5625 -29.3762 -7.4672 C 0 0 0 0 0 0 0 0 0 13.2880 -25.5063 -9.8595 C 0 0 0 0 0 0 0 0 0 8.5416 -25.7678 -4.4938 C 0 0 0 0 0 0 0 0 0 9.6972 -25.4564 -4.3114 O 0 0 0 0 0 0 0 0 0 7.6142 -25.4310 -3.5526 O 0 0 0 0 0 0 0 0 0 8.1815 -24.8951 -2.3729 C 0 0 0 0 0 0 0 0 0 12.1940 -21.8653 -11.3923 O 0 0 0 0 0 0 0 0 0 12.0357 -24.1912 -12.1012 C 0 0 0 0 0 0 0 0 0 11.3035 -25.0919 -12.4416 O 0 0 0 0 0 0 0 0 0 13.3309 -24.1859 -12.5277 O 0 0 0 0 0 0 0 0 0 13.5470 -25.0397 -13.6365 C 0 0 0 0 0 0 0 0 0 8.3085 -26.1757 -9.9560 C 0 0 0 0 0 0 0 0 0 8.8235 -26.7997 -11.2540 C 0 0 0 0 0 0 0 0 0 6.2940 -25.5112 -10.9688 O 0 0 0 0 0 0 0 0 0 10.0530 -22.2055 -12.9092 O 0 0 0 0 0 0 0 0 0 10.0858 -22.9582 -14.0418 C 0 0 0 0 0 0 0 0 0 10.8812 -22.6773 -14.9052 O 0 0 0 0 0 0 0 0 0 9.1607 -24.1180 -14.2539 C 0 0 0 0 0 0 0 0 0 7.7906 -21.8790 -11.1343 C 0 0 0 0 0 0 0 0 0 7.4403 -21.1642 -12.4442 C 0 0 0 0 0 0 0 0 0 6.8126 -28.2598 -10.2253 H 0 0 0 0 0 0 0 0 0 5.2209 -27.5874 -10.0498 H 0 0 0 0 0 0 0 0 0 7.0054 -24.4186 -8.4613 H 0 0 0 0 0 0 0 0 0 5.4197 -24.7690 -9.0278 H 0 0 0 0 0 0 0 0 0 5.0563 -25.1991 -6.9775 H 0 0 0 0 0 0 0 0 0 6.8704 -24.7883 -5.8472 H 0 0 0 0 0 0 0 0 0 6.0991 -26.1988 -5.2236 H 0 0 0 0 0 0 0 0 0 5.9496 -29.9290 -8.4400 H 0 0 0 0 0 0 0 0 0 7.6104 -29.4381 -8.1647 H 0 0 0 0 0 0 0 0 0 5.4270 -29.3765 -6.0307 H 0 0 0 0 0 0 0 0 0 6.4680 -30.6606 -6.4413 H 0 0 0 0 0 0 0 0 0 6.6681 -31.8426 -4.7752 H 0 0 0 0 0 0 0 0 0 7.7064 -33.0995 -2.9822 H 0 0 0 0 0 0 0 0 0 9.4615 -32.1041 -1.6214 H 0 0 0 0 0 0 0 0 0 10.1959 -29.7987 -2.0517 H 0 0 0 0 0 0 0 0 0 7.7930 -19.8100 -8.8254 H 0 0 0 0 0 0 0 0 0 9.1306 -19.2649 -7.8557 H 0 0 0 0 0 0 0 0 0 9.9271 -18.5957 -10.0213 H 0 0 0 0 0 0 0 0 0 10.3094 -20.2081 -11.7171 H 0 0 0 0 0 0 0 0 0 10.1452 -20.6315 -6.5288 H 0 0 0 0 0 0 0 0 0 9.4586 -22.2378 -6.3815 H 0 0 0 0 0 0 0 0 0 11.7005 -21.3305 -8.1752 H 0 0 0 0 0 0 0 0 0 11.7955 -22.6162 -6.9629 H 0 0 0 0 0 0 0 0 0 9.5183 -23.7919 -11.6548 H 0 0 0 0 0 0 0 0 0 8.6102 -24.1058 -6.9046 H 0 0 0 0 0 0 0 0 0 11.9446 -27.3600 -8.3059 H 0 0 0 0 0 0 0 0 0 4.2888 -27.0525 -8.1314 H 0 0 0 0 0 0 0 0 0 4.8716 -27.5769 -6.5786 H 0 0 0 0 0 0 0 0 0 10.1479 -29.2661 -8.4599 H 0 0 0 0 0 0 0 0 0 11.6402 -29.4159 -7.5204 H 0 0 0 0 0 0 0 0 0 10.2045 -30.3049 -7.0475 H 0 0 0 0 0 0 0 0 0 13.0042 -26.1740 -10.6610 H 0 0 0 0 0 0 0 0 0 14.0151 -24.7988 -10.2318 H 0 0 0 0 0 0 0 0 0 13.7528 -26.0861 -9.0754 H 0 0 0 0 0 0 0 0 0 8.7614 -25.6496 -1.8594 H 0 0 0 0 0 0 0 0 0 8.8132 -24.0441 -2.5898 H 0 0 0 0 0 0 0 0 0 7.3839 -24.5768 -1.7184 H 0 0 0 0 0 0 0 0 0 13.1231 -22.0278 -11.5332 H 0 0 0 0 0 0 0 0 0 12.9754 -24.7003 -14.4905 H 0 0 0 0 0 0 0 0 0 14.5940 -25.0124 -13.9009 H 0 0 0 0 0 0 0 0 0 13.2737 -26.0613 -13.4093 H 0 0 0 0 0 0 0 0 0 8.6748 -25.1632 -9.9414 H 0 0 0 0 0 0 0 0 0 8.7258 -26.7310 -9.1356 H 0 0 0 0 0 0 0 0 0 9.8992 -26.7104 -11.2815 H 0 0 0 0 0 0 0 0 0 8.5669 -27.8462 -11.3083 H 0 0 0 0 0 0 0 0 0 8.4110 -26.2868 -12.1096 H 0 0 0 0 0 0 0 0 0 6.2477 -26.1322 -11.6890 H 0 0 0 0 0 0 0 0 0 9.1074 -24.3378 -15.3091 H 0 0 0 0 0 0 0 0 0 9.5230 -24.9879 -13.7314 H 0 0 0 0 0 0 0 0 0 8.1788 -23.8621 -13.8869 H 0 0 0 0 0 0 0 0 0 7.4268 -22.8946 -11.2062 H 0 0 0 0 0 0 0 0 0 7.2160 -21.3890 -10.3620 H 0 0 0 0 0 0 0 0 0 6.3728 -21.2127 -12.6012 H 0 0 0 0 0 0 0 0 0 7.7313 -20.1252 -12.3952 H 0 0 0 0 0 0 0 0 0 7.9273 -21.6258 -13.2872 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 1 2 1 0 0 0 0 3 37 1 0 0 0 0 3 33 1 0 0 0 0 3 44 1 0 0 0 0 4 8 1 0 0 0 0 4 41 1 0 0 0 0 4 15 1 0 0 0 0 5 33 1 0 0 0 0 6 28 1 0 0 0 0 6 24 1 0 0 0 0 6 29 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 63 1 0 0 0 0 8 64 1 0 0 0 0 9 56 1 0 0 0 0 9 10 1 1 0 0 0 9 54 1 6 0 0 0 10 11 1 0 0 0 0 10 65 1 0 0 0 0 10 66 1 0 0 0 0 11 41 1 0 0 0 0 11 12 1 6 0 0 0 11 67 1 1 0 0 0 12 13 1 0 0 0 0 12 68 1 0 0 0 0 12 69 1 0 0 0 0 13 45 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 6 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 15 70 1 0 0 0 0 15 71 1 0 0 0 0 16 17 1 0 0 0 0 16 72 1 0 0 0 0 16 73 1 0 0 0 0 17 18 1 0 0 0 0 18 21 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 74 1 0 0 0 0 20 22 1 0 0 0 0 20 75 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 76 1 0 0 0 0 23 77 1 0 0 0 0 24 25 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 26 2 0 0 0 0 25 80 1 0 0 0 0 26 27 1 0 0 0 0 26 81 1 0 0 0 0 27 32 1 6 0 0 0 27 28 1 0 0 0 0 27 61 1 1 0 0 0 28 31 1 6 0 0 0 29 30 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 30 31 1 0 0 0 0 30 84 1 0 0 0 0 30 85 1 0 0 0 0 31 33 1 6 0 0 0 31 34 1 1 0 0 0 32 57 1 0 0 0 0 32 39 1 6 0 0 0 32 86 1 1 0 0 0 33 39 1 6 0 0 0 34 37 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 87 1 0 0 0 0 36 38 2 0 0 0 0 37 40 2 0 0 0 0 38 42 1 0 0 0 0 38 40 1 0 0 0 0 39 49 1 0 0 0 0 39 50 1 6 0 0 0 40 88 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 43 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 45 47 1 0 0 0 0 45 46 2 0 0 0 0 47 48 1 0 0 0 0 48 97 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 49100 1 0 0 0 0 50 52 1 0 0 0 0 50 51 2 0 0 0 0 52 53 1 0 0 0 0 53101 1 0 0 0 0 53102 1 0 0 0 0 53103 1 0 0 0 0 54 55 1 0 0 0 0 54104 1 0 0 0 0 54105 1 0 0 0 0 55106 1 0 0 0 0 55107 1 0 0 0 0 55108 1 0 0 0 0 56109 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 60110 1 0 0 0 0 60111 1 0 0 0 0 60112 1 0 0 0 0 61 62 1 0 0 0 0 61113 1 0 0 0 0 61114 1 0 0 0 0 62115 1 0 0 0 0 62116 1 0 0 0 0 62117 1 0 0 0 0 M END > 49842 > K $$$$ 51148 1016 111283D 51148 5 4 0 1 V2000 0.4963 2.2767 -0.1997 C 0 0 0 0 0 0 0 0 0 -0.4225 0.8058 0.2802 Cl 0 0 0 0 0 0 0 0 0 -0.4276 3.7471 0.2718 Cl 0 0 0 0 0 0 0 0 0 1.4536 2.2801 0.2996 H 0 0 0 0 0 0 0 0 0 0.6462 2.2742 -1.2692 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END > 51148 > K $$$$ 51812 1016 111283D 51812 52 55 1 1 V2000 4.5424 3.2875 -3.6364 O 0 0 0 0 0 0 0 0 0 3.7607 -0.3814 -2.7387 H 0 0 0 0 0 0 0 0 0 0.7296 0.1307 -0.0220 H 0 0 0 0 0 0 0 0 0 -0.5523 3.2142 -1.3644 O 0 0 0 0 0 0 0 0 0 2.2835 1.2939 0.8788 C 0 0 1 0 0 0 0 0 0 1.6252 0.6389 -0.3436 C 0 0 2 0 0 0 0 0 0 1.5384 2.4938 1.4225 C 0 0 0 0 0 0 0 0 0 2.5160 -0.3909 -1.0427 C 0 0 0 0 0 0 0 0 0 3.6734 0.2234 -1.8459 C 0 0 2 0 0 0 0 0 0 5.0249 0.1055 -1.1335 C 0 0 0 0 0 0 0 0 0 6.1578 0.5223 -2.0394 C 0 0 0 0 0 0 0 0 0 7.3744 -0.1424 -1.9400 C 0 0 0 0 0 0 0 0 0 8.4330 0.2124 -2.7631 C 0 0 0 0 0 0 0 0 0 0.5855 3.1238 0.7057 C 0 0 0 0 0 0 0 0 0 1.1768 1.6530 -1.3894 C 0 0 1 0 0 0 0 0 0 3.4821 1.6530 -2.3036 C 0 0 0 0 0 0 0 0 0 5.9983 1.5573 -2.9613 C 0 0 0 0 0 0 0 0 0 8.2715 1.2368 -3.6841 C 0 0 0 0 0 0 0 0 0 0.3346 2.7070 -0.7198 C 0 0 0 0 0 0 0 0 0 2.3366 2.3270 -2.0803 C 0 0 0 0 0 0 0 0 0 4.6626 2.2564 -3.0210 C 0 0 0 0 0 0 0 0 0 7.0636 1.9116 -3.7911 C 0 0 0 0 0 0 0 0 0 7.0445 2.8903 -4.7359 O 0 0 0 0 0 0 0 0 0 2.1098 3.6234 -2.4355 O 0 0 0 0 0 0 0 0 0 0.4372 0.9213 -2.3488 O 0 0 0 0 0 0 0 0 0 2.4987 0.2558 1.8962 N 0 0 0 0 0 0 0 0 0 3.5970 0.5165 2.8248 C 0 0 0 0 0 0 0 0 0 1.3149 -0.2453 2.5981 C 0 0 0 0 0 0 0 0 0 -0.2487 4.2413 1.2938 C 0 0 0 0 0 0 0 0 0 -0.0694 4.6253 2.4230 O 0 0 0 0 0 0 0 0 0 -1.2412 4.8968 0.6438 N 0 0 0 0 0 0 0 0 0 1.9249 2.8562 2.6782 O 0 0 0 0 0 0 0 0 0 3.2424 1.6776 0.5638 H 0 0 0 0 0 0 0 0 0 2.8777 -1.1221 -0.3335 H 0 0 0 0 0 0 0 0 0 1.8842 -0.9155 -1.7468 H 0 0 0 0 0 0 0 0 0 5.0431 0.7269 -0.2505 H 0 0 0 0 0 0 0 0 0 5.1696 -0.9219 -0.8292 H 0 0 0 0 0 0 0 0 0 7.4995 -0.9180 -1.2420 H 0 0 0 0 0 0 0 0 0 9.3527 -0.2910 -2.6903 H 0 0 0 0 0 0 0 0 0 9.0685 1.5097 -4.3115 H 0 0 0 0 0 0 0 0 0 6.1878 3.2808 -4.8460 H 0 0 0 0 0 0 0 0 0 2.8578 4.0560 -2.8258 H 0 0 0 0 0 0 0 0 0 0.0417 1.5319 -2.9680 H 0 0 0 0 0 0 0 0 0 3.8384 -0.3865 3.3674 H 0 0 0 0 0 0 0 0 0 4.4816 0.8367 2.2939 H 0 0 0 0 0 0 0 0 0 3.3210 1.2804 3.5379 H 0 0 0 0 0 0 0 0 0 1.5837 -1.0824 3.2263 H 0 0 0 0 0 0 0 0 0 0.8920 0.5314 3.2201 H 0 0 0 0 0 0 0 0 0 0.5567 -0.5884 1.9115 H 0 0 0 0 0 0 0 0 0 -1.4951 4.6813 -0.2642 H 0 0 0 0 0 0 0 0 0 -1.7106 5.6049 1.1099 H 0 0 0 0 0 0 0 0 0 1.6616 3.7317 2.9292 H 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 9 1 0 0 0 0 3 6 1 0 0 0 0 4 19 2 0 0 0 0 5 26 1 6 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 1 0 0 0 6 15 1 1 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 16 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 17 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 18 1 0 0 0 0 13 39 1 0 0 0 0 14 29 1 0 0 0 0 14 19 1 0 0 0 0 15 25 1 6 0 0 0 15 19 1 0 0 0 0 15 20 1 1 0 0 0 16 21 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 20 24 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END > 51812 > K $$$$ 52141 1016 111283D 52141 116120 1 1 V2000 -1.7186 -2.5592 -0.7736 O 0 0 0 0 0 0 0 0 0 -1.2111 -2.6524 1.4090 O 0 0 0 0 0 0 0 0 0 -0.4718 -5.3193 1.5245 H 0 0 0 0 0 0 0 0 0 -1.3892 1.2037 0.8221 H 0 0 0 0 0 0 0 0 0 0.2553 -5.2387 -0.3906 O 0 0 0 0 0 0 0 0 0 0.0289 1.6061 2.2201 O 0 0 0 0 0 0 0 0 0 1.7957 -5.9538 0.7218 H 0 0 0 0 0 0 0 0 0 -0.3945 3.3934 1.3059 H 0 0 0 0 0 0 0 0 0 3.2807 3.3933 2.5627 O 0 0 0 0 0 0 0 0 0 4.0365 -5.5632 -2.5614 O 0 0 0 0 0 0 0 0 0 2.1209 3.7391 0.6732 O 0 0 0 0 0 0 0 0 0 5.0966 -6.2600 -0.7192 O 0 0 0 0 0 0 0 0 0 5.7108 4.2000 -0.2733 H 0 0 0 0 0 0 0 0 0 5.8466 -5.2456 -4.4657 H 0 0 0 0 0 0 0 0 0 5.6102 3.1206 -2.0132 O 0 0 0 0 0 0 0 0 0 6.6382 -3.7917 -3.2571 O 0 0 0 0 0 0 0 0 0 7.6251 2.8014 -1.9152 H 0 0 0 0 0 0 0 0 0 6.2194 -2.8279 -5.0010 H 0 0 0 0 0 0 0 0 0 7.2389 0.5849 -3.3315 O 0 0 0 0 0 0 0 0 0 5.8448 1.2177 -4.9726 O 0 0 0 0 0 0 0 0 0 8.0816 -3.8669 -5.1041 C 0 0 0 0 0 0 0 0 0 7.0678 -3.0040 -4.3522 C 0 0 2 0 0 0 0 0 0 8.0055 -5.1944 -4.3669 C 0 0 0 0 0 0 0 0 0 6.6254 -5.1264 -3.7224 C 0 0 1 0 0 0 0 0 0 7.6586 -1.6502 -3.9554 C 0 0 0 0 0 0 0 0 0 6.6288 -0.6916 -3.3613 C 0 0 1 0 0 0 0 0 0 6.4377 -6.1839 -2.6291 C 0 0 1 0 0 0 0 0 0 5.1421 -6.0022 -1.8994 C 0 0 0 0 0 0 0 0 0 0.4266 -7.5047 0.1559 C 0 0 0 0 0 0 0 0 0 1.2252 -6.2375 -0.1536 C 0 0 1 0 0 0 0 0 0 -1.0039 -6.9958 0.2727 C 0 0 0 0 0 0 0 0 0 -0.7998 -5.5038 0.5087 C 0 0 2 0 0 0 0 0 0 2.1925 -6.4407 -1.3197 C 0 0 0 0 0 0 0 0 0 2.9773 -5.1840 -1.7024 C 0 0 2 0 0 0 0 0 0 -2.0379 -4.6547 0.2138 C 0 0 2 0 0 0 0 0 0 -1.6430 -3.2089 0.2425 C 0 0 0 0 0 0 0 0 0 6.6590 1.5208 -4.1322 C 0 0 0 0 0 0 0 0 0 7.0479 2.9583 -3.9710 C 0 0 1 0 0 0 0 0 0 6.9178 3.3739 -2.5009 C 0 0 1 0 0 0 0 0 0 7.1614 4.8707 -2.2755 C 0 0 0 0 0 0 0 0 0 5.7537 5.3932 -2.0455 C 0 0 0 0 0 0 0 0 0 3.7062 4.3228 -0.9894 C 0 0 0 0 0 0 0 0 0 3.2253 3.2206 -0.0457 C 0 0 2 0 0 0 0 0 0 5.2117 4.2288 -1.2344 C 0 0 1 0 0 0 0 0 0 -0.6318 -1.3653 1.2847 C 0 0 1 0 0 0 0 0 0 -1.4223 -0.4276 2.1970 C 0 0 0 0 0 0 0 0 0 -1.2338 1.0601 1.8837 C 0 0 1 0 0 0 0 0 0 -2.2502 1.9182 2.6380 C 0 0 0 0 0 0 0 0 0 -1.4084 3.0623 3.1804 C 0 0 0 0 0 0 0 0 0 -0.1710 3.0060 2.2925 C 0 0 1 0 0 0 0 0 0 1.0032 3.7980 2.8778 C 0 0 1 0 0 0 0 0 0 2.2223 3.6251 2.0267 C 0 0 0 0 0 0 0 0 0 0.8275 -1.4972 1.7107 C 0 0 0 0 0 0 0 0 0 -3.1554 -4.9107 1.2280 C 0 0 0 0 0 0 0 0 0 0.7087 5.2992 2.9492 C 0 0 0 0 0 0 0 0 0 2.1259 -4.1890 -2.4872 C 0 0 0 0 0 0 0 0 0 2.7504 1.9802 -0.7992 C 0 0 0 0 0 0 0 0 0 6.4213 -7.5997 -3.2107 C 0 0 0 0 0 0 0 0 0 8.4820 3.0957 -4.4907 C 0 0 0 0 0 0 0 0 0 6.2644 -1.0426 -1.9213 C 0 0 0 0 0 0 0 0 0 7.7712 -3.9806 -6.1327 H 0 0 0 0 0 0 0 0 0 9.0878 -3.4736 -5.0624 H 0 0 0 0 0 0 0 0 0 8.1285 -6.0382 -5.0297 H 0 0 0 0 0 0 0 0 0 8.7577 -5.2096 -3.5906 H 0 0 0 0 0 0 0 0 0 8.4751 -1.7859 -3.2612 H 0 0 0 0 0 0 0 0 0 8.0431 -1.1816 -4.8497 H 0 0 0 0 0 0 0 0 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5.5437 -0.3255 -1.5565 H 0 0 0 0 0 0 0 0 0 5.8360 -2.0326 -1.8699 H 0 0 0 0 0 0 0 0 0 7.1473 -0.9977 -1.3007 H 0 0 0 0 0 0 0 0 0 1 36 2 0 0 0 0 2 36 1 0 0 0 0 2 45 1 0 0 0 0 3 32 1 0 0 0 0 4 47 1 0 0 0 0 5 30 1 0 0 0 0 5 32 1 0 0 0 0 6 47 1 0 0 0 0 6 50 1 0 0 0 0 7 30 1 0 0 0 0 8 50 1 0 0 0 0 9 52 2 0 0 0 0 10 28 1 0 0 0 0 10 34 1 0 0 0 0 11 43 1 0 0 0 0 11 52 1 0 0 0 0 12 28 2 0 0 0 0 13 44 1 0 0 0 0 14 24 1 0 0 0 0 15 39 1 0 0 0 0 15 44 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 19 26 1 0 0 0 0 19 37 1 0 0 0 0 20 37 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 25 1 1 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 27 1 1 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 60 1 1 0 0 0 26 67 1 6 0 0 0 27 28 1 0 0 0 0 27 58 1 6 0 0 0 27 68 1 1 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 33 1 6 0 0 0 31 32 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 35 1 6 0 0 0 33 34 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 56 1 6 0 0 0 34 75 1 1 0 0 0 35 36 1 0 0 0 0 35 54 1 1 0 0 0 35 76 1 6 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 38 59 1 0 0 0 0 38 77 1 6 0 0 0 39 40 1 6 0 0 0 40 41 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 41 44 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 43 57 1 6 0 0 0 43 84 1 1 0 0 0 45 46 1 1 0 0 0 45 53 1 0 0 0 0 45 85 1 6 0 0 0 46 47 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 47 48 1 1 0 0 0 48 49 1 0 0 0 0 48 88 1 0 0 0 0 48 89 1 0 0 0 0 49 50 1 0 0 0 0 49 90 1 0 0 0 0 49 91 1 0 0 0 0 50 51 1 1 0 0 0 51 52 1 6 0 0 0 51 55 1 0 0 0 0 51 92 1 1 0 0 0 53 93 1 0 0 0 0 53 94 1 0 0 0 0 53 95 1 0 0 0 0 54 96 1 0 0 0 0 54 97 1 0 0 0 0 54 98 1 0 0 0 0 55 99 1 0 0 0 0 55100 1 0 0 0 0 55101 1 0 0 0 0 56102 1 0 0 0 0 56103 1 0 0 0 0 56104 1 0 0 0 0 57105 1 0 0 0 0 57106 1 0 0 0 0 57107 1 0 0 0 0 58108 1 0 0 0 0 58109 1 0 0 0 0 58110 1 0 0 0 0 59111 1 0 0 0 0 59112 1 0 0 0 0 59113 1 0 0 0 0 60114 1 0 0 0 0 60115 1 0 0 0 0 60116 1 0 0 0 0 M END > 52141 > K $$$$ 53908 1016 111283D 53908 43 45 0 1 V2000 3.8324 3.5155 4.2231 O 0 0 0 0 0 0 0 0 0 1.0111 1.0692 2.7523 O 0 0 0 0 0 0 0 0 0 -0.9700 -0.1026 4.3351 C 0 0 0 0 0 0 0 0 0 -2.0265 -0.6482 5.0549 C 0 0 0 0 0 0 0 0 0 -0.1273 0.8416 4.9115 C 0 0 0 0 0 0 0 0 0 -2.2589 -0.2589 6.3711 C 0 0 0 0 0 0 0 0 0 -0.3583 1.2234 6.2304 C 0 0 0 0 0 0 0 0 0 0.9984 1.4121 4.0796 C 0 0 0 0 0 0 0 0 0 1.9316 2.2115 4.6209 C 0 0 0 0 0 0 0 0 0 -1.4133 0.6772 6.9483 C 0 0 0 0 0 0 0 0 0 2.9793 2.8066 3.7457 C 0 0 0 0 0 0 0 0 0 2.9136 2.4898 2.2913 C 0 0 0 0 0 0 0 0 0 1.7843 1.3280 0.5326 C 0 0 0 0 0 0 0 0 0 1.9026 1.6325 1.8811 C 0 0 0 0 0 0 0 0 0 2.6558 1.8736 -0.4070 C 0 0 0 0 0 0 0 0 0 3.6660 2.7307 0.0222 C 0 0 0 0 0 0 0 0 0 3.8112 3.0205 1.3762 C 0 0 0 0 0 0 0 0 0 2.5780 1.6094 -1.7464 O 0 0 0 0 0 0 0 0 0 1.4021 1.0144 -2.2601 C 0 0 0 0 0 0 0 0 0 4.5159 3.2925 -0.8846 O 0 0 0 0 0 0 0 0 0 5.7588 2.6220 -0.9459 C 0 0 0 0 0 0 0 0 0 4.8241 3.8174 1.8128 O 0 0 0 0 0 0 0 0 0 4.5354 5.1876 1.6275 C 0 0 0 0 0 0 0 0 0 -3.2660 -0.7220 7.1673 O 0 0 0 0 0 0 0 0 0 -4.1017 -1.7484 6.6714 C 0 0 0 0 0 0 0 0 0 -0.8090 -0.4103 3.3432 H 0 0 0 0 0 0 0 0 0 -2.6471 -1.3570 4.5936 H 0 0 0 0 0 0 0 0 0 0.2546 1.9284 6.7062 H 0 0 0 0 0 0 0 0 0 1.9488 2.4333 5.6441 H 0 0 0 0 0 0 0 0 0 -1.5792 0.9723 7.9422 H 0 0 0 0 0 0 0 0 0 1.0206 0.6750 0.2339 H 0 0 0 0 0 0 0 0 0 1.4287 1.0773 -3.3383 H 0 0 0 0 0 0 0 0 0 1.3575 -0.0269 -1.9761 H 0 0 0 0 0 0 0 0 0 0.5179 1.5312 -1.9132 H 0 0 0 0 0 0 0 0 0 6.3699 3.1001 -1.6975 H 0 0 0 0 0 0 0 0 0 6.2773 2.6709 0.0017 H 0 0 0 0 0 0 0 0 0 5.6168 1.5884 -1.2304 H 0 0 0 0 0 0 0 0 0 5.3596 5.7678 2.0153 H 0 0 0 0 0 0 0 0 0 4.4101 5.4178 0.5785 H 0 0 0 0 0 0 0 0 0 3.6412 5.4611 2.1707 H 0 0 0 0 0 0 0 0 0 -3.5183 -2.6147 6.3932 H 0 0 0 0 0 0 0 0 0 -4.7901 -2.0363 7.4527 H 0 0 0 0 0 0 0 0 0 -4.6709 -1.3961 5.8232 H 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 5 2 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 6 2 0 0 0 0 4 27 1 0 0 0 0 5 8 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 17 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 15 18 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > 53908 > K $$$$ 54297 1016 111283D 54297 17 18 0 1 V2000 -0.0193 1.7810 0.0118 S 0 0 0 0 0 0 0 0 0 2.1958 0.7908 -0.0146 N 0 0 0 0 0 0 0 0 0 0.9603 -3.1642 -0.0236 S 0 0 0 0 0 0 0 0 0 2.3425 -4.2787 -0.0426 C 0 0 0 0 0 0 0 0 0 3.4084 -3.4242 -0.0482 C 0 0 0 0 0 0 0 0 0 3.1654 -2.0615 -0.0387 C 0 0 0 0 0 0 0 0 0 1.8607 -1.6352 -0.0241 C 0 0 0 0 0 0 0 0 0 1.3494 -0.2441 -0.0121 C 0 0 0 0 0 0 0 0 0 0.0004 0.0029 0.0021 C 0 0 0 0 0 0 0 0 0 1.7403 2.0346 -0.0037 C 0 0 0 0 0 0 0 0 0 2.4624 3.2174 -0.0046 N 0 0 0 0 0 0 0 0 0 2.3548 -5.3585 -0.0482 H 0 0 0 0 0 0 0 0 0 4.4119 -3.7986 -0.0595 H 0 0 0 0 0 0 0 0 0 3.9784 -1.3625 -0.0427 H 0 0 0 0 0 0 0 0 0 -0.8188 -0.7026 0.0061 H 0 0 0 0 0 0 0 0 0 1.9957 4.0692 0.0045 H 0 0 0 0 0 0 0 0 0 3.4334 3.2002 -0.0142 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 M END > 54297 > K $$$$ 54650 1016 111283D 54650 30 32 0 1 V2000 -0.0934 1.4127 -0.1174 O 0 0 0 0 0 0 0 0 0 -0.4003 5.4095 0.0325 O 0 0 0 0 0 0 0 0 0 -4.5455 -0.7963 0.0486 N 0 0 0 0 0 0 0 0 0 -2.2365 -0.3101 -0.1735 C 0 0 0 0 0 0 0 0 0 -2.4992 1.0436 -0.0001 C 0 0 0 0 0 0 0 0 0 -3.2780 -1.2267 -0.1466 C 0 0 0 0 0 0 0 0 0 -3.8137 1.4548 0.1999 C 0 0 0 0 0 0 0 0 0 -1.3299 1.9971 -0.0374 C 0 0 0 0 0 0 0 0 0 -1.4974 3.3286 0.0045 C 0 0 0 0 0 0 0 0 0 -4.8334 0.5135 0.2216 C 0 0 0 0 0 0 0 0 0 -0.2928 4.2064 0.0202 C 0 0 0 0 0 0 0 0 0 1.0409 3.5414 0.0225 C 0 0 0 0 0 0 0 0 0 2.2703 1.4916 -0.0318 C 0 0 0 0 0 0 0 0 0 3.4566 2.2112 0.0408 C 0 0 0 0 0 0 0 0 0 1.0512 2.1549 -0.0426 C 0 0 0 0 0 0 0 0 0 3.4458 3.5990 0.1019 C 0 0 0 0 0 0 0 0 0 2.2235 4.2656 0.0876 C 0 0 0 0 0 0 0 0 0 4.6645 4.2083 0.1744 O 0 0 0 0 0 0 0 0 0 4.7186 5.6179 0.0717 C 0 0 0 0 0 0 0 0 0 -1.2519 -0.6439 -0.3256 H 0 0 0 0 0 0 0 0 0 -3.0846 -2.2509 -0.2770 H 0 0 0 0 0 0 0 0 0 -4.0540 2.4662 0.3368 H 0 0 0 0 0 0 0 0 0 -2.4475 3.7691 0.0270 H 0 0 0 0 0 0 0 0 0 -5.8285 0.8157 0.3723 H 0 0 0 0 0 0 0 0 0 2.2905 0.4427 -0.0784 H 0 0 0 0 0 0 0 0 0 4.3766 1.7057 0.0495 H 0 0 0 0 0 0 0 0 0 2.1820 5.3134 0.1263 H 0 0 0 0 0 0 0 0 0 5.7533 5.9263 0.1079 H 0 0 0 0 0 0 0 0 0 4.2959 5.9461 -0.8679 H 0 0 0 0 0 0 0 0 0 4.1938 6.0815 0.8949 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 10 2 0 0 0 0 4 6 2 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 5 7 2 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 15 2 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 16 18 1 0 0 0 0 16 17 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 54650 > K $$$$ 56544 1016 111283D 56544 24 26 0 1 V2000 -0.1002 1.4517 0.2627 O 0 0 0 0 0 0 0 0 0 3.3163 0.5146 0.4745 O 0 0 0 0 0 0 0 0 0 4.3774 2.8830 0.7951 S 0 0 0 0 0 0 0 0 0 -1.2340 -0.7173 0.2707 C 0 0 0 0 0 0 0 0 0 -0.1037 0.0861 0.3066 C 0 0 0 0 0 0 0 0 0 -1.0834 -2.0998 0.3201 C 0 0 0 0 0 0 0 0 0 1.1436 -0.5018 0.3941 C 0 0 0 0 0 0 0 0 0 0.1822 -2.6750 0.4057 C 0 0 0 0 0 0 0 0 0 2.1135 0.6077 0.4154 C 0 0 0 0 0 0 0 0 0 1.2197 1.8101 0.3443 C 0 0 0 0 0 0 0 0 0 1.3202 -1.8764 0.4450 C 0 0 0 0 0 0 0 0 0 5.2696 4.3381 0.7699 C 0 0 0 0 0 0 0 0 0 4.4562 5.4307 0.5285 C 0 0 0 0 0 0 0 0 0 3.1282 5.0731 0.3704 C 0 0 0 0 0 0 0 0 0 2.9127 3.7094 0.4870 C 0 0 0 0 0 0 0 0 0 1.5393 3.1117 0.3496 C 0 0 0 0 0 0 0 0 0 -2.1873 -0.2817 0.2070 H 0 0 0 0 0 0 0 0 0 -1.9345 -2.7156 0.2926 H 0 0 0 0 0 0 0 0 0 0.2775 -3.7209 0.4408 H 0 0 0 0 0 0 0 0 0 2.2803 -2.2976 0.5111 H 0 0 0 0 0 0 0 0 0 6.3074 4.3947 0.9195 H 0 0 0 0 0 0 0 0 0 4.8060 6.4193 0.4714 H 0 0 0 0 0 0 0 0 0 2.3625 5.7666 0.1808 H 0 0 0 0 0 0 0 0 0 0.7382 3.7824 0.2469 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 17 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 10 16 2 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 M END > 56544 > K $$$$ 56737 1016 111283D 56737 57 58 1 1 V2000 -10.8363 0.6367 -4.7602 C 0 0 0 0 0 0 0 0 0 -9.4990 0.6325 -4.3803 C 0 0 0 0 0 0 0 0 0 -11.7346 -0.2286 -4.1505 C 0 0 0 0 0 0 0 0 0 -11.2950 -1.0970 -3.1600 C 0 0 0 0 0 0 0 0 0 -9.0702 -0.2370 -3.3836 C 0 0 0 0 0 0 0 0 0 -9.9637 -1.1084 -2.7660 C 0 0 0 0 0 0 0 0 0 -14.5081 4.8269 -7.6523 C 0 0 0 0 0 0 0 0 0 -15.2619 3.8940 -8.3534 C 0 0 0 0 0 0 0 0 0 -15.1030 5.9911 -7.1779 C 0 0 0 0 0 0 0 0 0 -16.4509 6.2203 -7.4249 C 0 0 0 0 0 0 0 0 0 -16.6114 4.1262 -8.5879 C 0 0 0 0 0 0 0 0 0 -17.2084 5.2931 -8.1306 C 0 0 0 0 0 0 0 0 0 -18.5290 5.5109 -8.3767 O 0 0 0 0 0 0 0 0 0 -18.7835 6.6611 -9.1624 C 0 0 0 0 0 0 0 0 0 -14.3142 7.0066 -6.4005 C 0 0 0 0 0 0 0 0 0 -13.0961 6.8220 -6.1780 N 0 0 0 0 0 0 0 0 0 -12.3732 7.5775 -5.4745 N 0 0 0 0 0 0 0 0 0 -11.1057 7.2161 -5.1487 C 0 0 0 0 0 0 0 0 0 -10.4644 7.9639 -4.4500 O 0 0 0 0 0 0 0 0 0 -10.4878 5.9283 -5.6217 C 0 0 1 0 0 0 0 0 0 -11.1498 4.7616 -4.8895 C 0 0 0 0 0 0 0 0 0 -10.6417 5.7583 -7.4312 S 0 0 0 0 0 0 0 0 0 -9.9648 4.1256 -7.8647 C 0 0 1 0 0 0 0 0 0 -10.1074 3.9282 -9.3719 C 0 0 0 0 0 0 0 0 0 -8.5219 4.0308 -7.4492 C 0 0 0 0 0 0 0 0 0 -7.7048 4.7636 -7.9526 O 0 0 0 0 0 0 0 0 0 -8.0807 3.1470 -6.5177 N 0 0 0 0 0 0 0 0 0 -8.8604 2.3341 -5.9486 N 0 0 0 0 0 0 0 0 0 -8.5075 1.5559 -5.0315 C 0 0 0 0 0 0 0 0 0 -9.6370 -1.9959 -1.7815 O 0 0 0 0 0 0 0 0 0 -8.3001 -2.0406 -1.3226 C 0 0 0 0 0 0 0 0 0 -11.1721 1.2930 -5.5087 H 0 0 0 0 0 0 0 0 0 -12.7454 -0.2274 -4.4370 H 0 0 0 0 0 0 0 0 0 -11.9714 -1.7549 -2.6995 H 0 0 0 0 0 0 0 0 0 -8.0607 -0.2315 -3.0992 H 0 0 0 0 0 0 0 0 0 -13.4868 4.6484 -7.4814 H 0 0 0 0 0 0 0 0 0 -14.8118 3.0127 -8.7064 H 0 0 0 0 0 0 0 0 0 -16.9062 7.0992 -7.0762 H 0 0 0 0 0 0 0 0 0 -17.1866 3.4222 -9.1127 H 0 0 0 0 0 0 0 0 0 -18.4459 7.5658 -8.6780 H 0 0 0 0 0 0 0 0 0 -18.3026 6.5702 -10.1270 H 0 0 0 0 0 0 0 0 0 -19.8489 6.7400 -9.3215 H 0 0 0 0 0 0 0 0 0 -14.7895 7.8724 -6.0424 H 0 0 0 0 0 0 0 0 0 -12.6943 8.4327 -5.1451 H 0 0 0 0 0 0 0 0 0 -9.4381 5.9520 -5.3691 H 0 0 0 0 0 0 0 0 0 -10.6335 3.8435 -5.1178 H 0 0 0 0 0 0 0 0 0 -11.1046 4.9255 -3.8225 H 0 0 0 0 0 0 0 0 0 -12.1833 4.6700 -5.1897 H 0 0 0 0 0 0 0 0 0 -10.5401 3.3612 -7.3656 H 0 0 0 0 0 0 0 0 0 -9.7432 2.9496 -9.6493 H 0 0 0 0 0 0 0 0 0 -11.1480 4.0103 -9.6512 H 0 0 0 0 0 0 0 0 0 -9.5406 4.6831 -9.8979 H 0 0 0 0 0 0 0 0 0 -7.1320 3.1696 -6.3092 H 0 0 0 0 0 0 0 0 0 -7.5070 1.5446 -4.7099 H 0 0 0 0 0 0 0 0 0 -7.6367 -2.3488 -2.1182 H 0 0 0 0 0 0 0 0 0 -7.9939 -1.0781 -0.9375 H 0 0 0 0 0 0 0 0 0 -8.2359 -2.7639 -0.5228 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 32 1 0 0 0 0 2 29 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 6 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 9 15 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 22 1 1 0 0 0 20 21 1 6 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 1 0 0 0 23 24 1 0 0 0 0 23 49 1 6 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END > 56737 > K $$$$ 56817 1016 111283D 56817 68 71 0 1 V2000 5.3227 6.3660 -6.2615 O 0 0 0 0 0 0 0 0 0 4.4352 13.8875 -5.7931 O 0 0 0 0 0 0 0 0 0 1.2703 11.8975 -2.3618 C 0 0 0 0 0 0 0 0 0 1.3300 11.0078 -3.4410 C 0 0 0 0 0 0 0 0 0 2.0511 13.0483 -2.4099 C 0 0 0 0 0 0 0 0 0 0.6099 9.8102 -3.4210 C 0 0 0 0 0 0 0 0 0 0.6429 8.9065 -4.4741 C 0 0 0 0 0 0 0 0 0 2.8671 13.3350 -3.4981 C 0 0 0 0 0 0 0 0 0 2.1240 11.3131 -4.5585 C 0 0 0 0 0 0 0 0 0 1.4208 9.2104 -5.5846 C 0 0 0 0 0 0 0 0 0 2.8754 12.4971 -4.6123 C 0 0 0 0 0 0 0 0 0 2.1419 10.4000 -5.6163 C 0 0 0 0 0 0 0 0 0 1.5264 8.2871 -6.7758 C 0 0 0 0 0 0 0 0 0 1.9633 5.8155 -10.1460 C 0 0 0 0 0 0 0 0 0 1.8377 6.6400 -9.0197 C 0 0 0 0 0 0 0 0 0 0.7398 7.4920 -8.8838 C 0 0 0 0 0 0 0 0 0 0.5725 8.3205 -7.7837 C 0 0 0 0 0 0 0 0 0 3.0881 5.0068 -10.2733 C 0 0 0 0 0 0 0 0 0 2.8138 6.6250 -8.0103 C 0 0 0 0 0 0 0 0 0 4.0750 5.0168 -9.2945 C 0 0 0 0 0 0 0 0 0 2.6000 7.4057 -6.8688 C 0 0 0 0 0 0 0 0 0 3.9574 5.8333 -8.1778 C 0 0 0 0 0 0 0 0 0 3.2005 4.2112 -11.3729 O 0 0 0 0 0 0 0 0 0 5.1935 4.2415 -9.3805 O 0 0 0 0 0 0 0 0 0 0.9377 5.7339 -11.2703 C 0 0 0 0 0 0 0 0 0 1.5371 6.2627 -12.5728 C 0 0 0 0 0 0 0 0 0 0.3467 4.3323 -11.4554 C 0 0 0 0 0 0 0 0 0 5.1628 5.7330 -7.2722 C 0 0 0 0 0 0 0 0 0 3.4518 7.3066 -5.8179 O 0 0 0 0 0 0 0 0 0 -0.6284 9.2304 -7.7048 C 0 0 0 0 0 0 0 0 0 -0.1647 7.6358 -4.3745 C 0 0 0 0 0 0 0 0 0 2.8917 10.6920 -6.7093 O 0 0 0 0 0 0 0 0 0 3.7014 12.9327 -5.8128 C 0 0 0 0 0 0 0 0 0 0.4027 11.7031 -1.1212 C 0 0 0 0 0 0 0 0 0 1.2608 11.4975 0.1306 C 0 0 0 0 0 0 0 0 0 -0.5890 12.8541 -0.9210 C 0 0 0 0 0 0 0 0 0 2.0127 13.9154 -1.3601 O 0 0 0 0 0 0 0 0 0 3.6076 14.4716 -3.3521 O 0 0 0 0 0 0 0 0 0 0.0133 9.5435 -2.6024 H 0 0 0 0 0 0 0 0 0 -0.0074 7.5418 -9.6130 H 0 0 0 0 0 0 0 0 0 3.5692 3.3661 -11.1571 H 0 0 0 0 0 0 0 0 0 5.2766 3.8022 -10.2147 H 0 0 0 0 0 0 0 0 0 0.0720 6.3441 -11.0927 H 0 0 0 0 0 0 0 0 0 0.7874 6.2581 -13.3506 H 0 0 0 0 0 0 0 0 0 1.8807 7.2764 -12.4228 H 0 0 0 0 0 0 0 0 0 2.3691 5.6511 -12.8889 H 0 0 0 0 0 0 0 0 0 -0.4255 4.3666 -12.2110 H 0 0 0 0 0 0 0 0 0 1.0984 3.6253 -11.7699 H 0 0 0 0 0 0 0 0 0 -0.0962 3.9934 -10.5302 H 0 0 0 0 0 0 0 0 0 5.9311 5.0711 -7.5280 H 0 0 0 0 0 0 0 0 0 3.2946 7.9232 -5.1180 H 0 0 0 0 0 0 0 0 0 -0.3498 10.2190 -8.0382 H 0 0 0 0 0 0 0 0 0 -1.4392 8.8718 -8.3238 H 0 0 0 0 0 0 0 0 0 -0.9907 9.2951 -6.6898 H 0 0 0 0 0 0 0 0 0 -1.1223 7.7712 -4.8575 H 0 0 0 0 0 0 0 0 0 0.3536 6.8102 -4.8386 H 0 0 0 0 0 0 0 0 0 -0.3447 7.3820 -3.3394 H 0 0 0 0 0 0 0 0 0 2.9666 10.0119 -7.3628 H 0 0 0 0 0 0 0 0 0 3.6825 12.4405 -6.7248 H 0 0 0 0 0 0 0 0 0 -0.2240 10.8313 -1.1855 H 0 0 0 0 0 0 0 0 0 1.8947 10.6331 -0.0037 H 0 0 0 0 0 0 0 0 0 1.8797 12.3627 0.3164 H 0 0 0 0 0 0 0 0 0 0.6284 11.3340 0.9920 H 0 0 0 0 0 0 0 0 0 -1.1914 12.9752 -1.8098 H 0 0 0 0 0 0 0 0 0 -1.2436 12.6359 -0.0888 H 0 0 0 0 0 0 0 0 0 -0.0774 13.7816 -0.7138 H 0 0 0 0 0 0 0 0 0 2.4241 14.7398 -1.6029 H 0 0 0 0 0 0 0 0 0 4.3787 14.5118 -3.8957 H 0 0 0 0 0 0 0 0 0 1 28 2 0 0 0 0 2 33 2 0 0 0 0 3 34 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 4 9 1 0 0 0 0 4 6 1 0 0 0 0 5 37 1 0 0 0 0 5 8 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 31 1 0 0 0 0 7 10 1 0 0 0 0 8 38 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 11 2 0 0 0 0 10 13 1 0 0 0 0 10 12 2 0 0 0 0 11 33 1 0 0 0 0 12 32 1 0 0 0 0 13 21 2 0 0 0 0 13 17 1 0 0 0 0 14 25 1 0 0 0 0 14 18 1 0 0 0 0 14 15 2 0 0 0 0 15 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 30 1 0 0 0 0 18 23 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 24 1 0 0 0 0 20 22 1 0 0 0 0 21 29 1 0 0 0 0 22 28 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 M END > 56817 > K $$$$ 58514 1016 111283D 58514 165172 1 1 V2000 -19.7238 27.0589 10.3709 O 0 0 0 0 0 0 0 0 0 -24.2750 25.3938 8.2793 O 0 0 0 0 0 0 0 0 0 -25.6627 27.1472 8.7284 O 0 0 0 0 0 0 0 0 0 -35.7248 25.9028 2.6591 O 0 0 0 0 0 0 0 0 0 -34.2973 28.4845 -1.6142 O 0 0 0 0 0 0 0 0 0 -29.9848 26.5416 1.4645 O 0 0 0 0 0 0 0 0 0 -29.4395 26.9235 -2.6294 O 0 0 0 0 0 0 0 0 0 -24.7308 25.7994 -0.7003 H 0 0 0 0 0 0 0 0 0 -25.7954 25.7496 -0.8835 C 0 0 2 0 0 0 0 0 0 -26.2387 27.2118 0.5864 H 0 0 0 0 0 0 0 0 0 -28.3379 27.2525 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0 -22.2833 26.3191 10.0292 C 0 0 1 0 0 0 0 0 0 -22.9547 24.9106 8.1144 C 0 0 1 0 0 0 0 0 0 -22.2347 24.8909 9.4700 C 0 0 1 0 0 0 0 0 0 -29.6247 27.1772 -1.2515 C 0 0 1 0 0 0 0 0 0 -30.2965 28.5313 -1.0555 C 0 0 0 0 0 0 0 0 0 -31.6466 28.4704 -1.7633 C 0 0 1 0 0 0 0 0 0 -30.6614 26.8262 -3.3378 C 0 0 1 0 0 0 0 0 0 -31.4403 28.1426 -3.2470 C 0 0 1 0 0 0 0 0 0 -20.5985 27.9603 9.7206 C 0 0 1 0 0 0 0 0 0 -19.9093 28.7190 8.5903 C 0 0 0 0 0 0 0 0 0 -18.7004 29.4584 9.1598 C 0 0 1 0 0 0 0 0 0 -17.7442 28.4112 9.7461 C 0 0 1 0 0 0 0 0 0 -18.4853 27.5913 10.8141 C 0 0 1 0 0 0 0 0 0 -33.6031 27.7598 -0.6161 C 0 0 1 0 0 0 0 0 0 -34.2940 26.4523 -0.2355 C 0 0 0 0 0 0 0 0 0 -35.7398 26.7357 0.1709 C 0 0 1 0 0 0 0 0 0 -35.6753 28.7137 -1.3698 C 0 0 1 0 0 0 0 0 0 -36.4219 27.4182 -1.0163 C 0 0 1 0 0 0 0 0 0 -36.0044 24.9242 1.6750 C 0 0 1 0 0 0 0 0 0 -37.1051 23.9855 2.1560 C 0 0 0 0 0 0 0 0 0 -36.6061 23.2756 3.4156 C 0 0 1 0 0 0 0 0 0 -35.3098 25.3875 3.9149 C 0 0 1 0 0 0 0 0 0 -36.2708 24.3277 4.4808 C 0 0 1 0 0 0 0 0 0 -17.2832 27.4844 8.7760 O 0 0 0 0 0 0 0 0 0 -16.3514 28.0093 7.8503 C 0 0 0 0 0 0 0 0 0 -20.8834 24.4900 9.3273 O 0 0 0 0 0 0 0 0 0 -20.6707 23.1523 9.4212 C 0 0 0 0 0 0 0 0 0 -21.5683 22.3930 9.6983 O 0 0 0 0 0 0 0 0 0 -19.2989 22.6134 9.1772 C 0 0 0 0 0 0 0 0 0 -18.0677 30.2514 8.1762 O 0 0 0 0 0 0 0 0 0 -18.6968 28.3464 12.1273 C 0 0 0 0 0 0 0 0 0 -23.0981 23.5349 7.4704 C 0 0 0 0 0 0 0 0 0 -28.1938 28.2359 8.7863 C 0 0 0 0 0 0 0 0 0 -37.4890 24.9251 4.8961 O 0 0 0 0 0 0 0 0 0 -37.4293 25.4729 6.1383 C 0 0 0 0 0 0 0 0 0 -36.3823 25.5487 6.7359 O 0 0 0 0 0 0 0 0 0 -38.6793 25.9897 6.7754 C 0 0 0 0 0 0 0 0 0 -33.8560 24.9185 3.8482 C 0 0 0 0 0 0 0 0 0 -37.6679 22.3136 3.9525 C 0 0 0 0 0 0 0 0 0 -35.4381 22.5358 3.1214 O 0 0 0 0 0 0 0 0 0 -29.6186 28.2211 6.5597 O 0 0 0 0 0 0 0 0 0 -36.4033 26.5379 -2.1236 O 0 0 0 0 0 0 0 0 0 -35.8539 29.8345 -0.3445 C 0 0 0 0 0 0 0 0 0 -29.8711 27.5800 3.9733 O 0 0 0 0 0 0 0 0 0 -32.6601 28.0600 -3.9577 O 0 0 0 0 0 0 0 0 0 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0 0 -15.9358 27.1912 7.2803 H 0 0 0 0 0 0 0 0 0 -18.9191 23.0180 8.2521 H 0 0 0 0 0 0 0 0 0 -18.6568 22.9057 9.9931 H 0 0 0 0 0 0 0 0 0 -19.3425 21.5379 9.1151 H 0 0 0 0 0 0 0 0 0 -18.6721 30.9193 7.8665 H 0 0 0 0 0 0 0 0 0 -19.1593 27.6812 12.8415 H 0 0 0 0 0 0 0 0 0 -17.7470 28.6792 12.5207 H 0 0 0 0 0 0 0 0 0 -19.3403 29.2001 11.9812 H 0 0 0 0 0 0 0 0 0 -23.6710 23.6334 6.5595 H 0 0 0 0 0 0 0 0 0 -22.1275 23.1276 7.2304 H 0 0 0 0 0 0 0 0 0 -23.6192 22.8684 8.1428 H 0 0 0 0 0 0 0 0 0 -28.1634 29.3135 8.7123 H 0 0 0 0 0 0 0 0 0 -29.2200 27.9205 8.9096 H 0 0 0 0 0 0 0 0 0 -27.6300 27.9259 9.6541 H 0 0 0 0 0 0 0 0 0 -38.9949 26.8846 6.2621 H 0 0 0 0 0 0 0 0 0 -39.4504 25.2377 6.7041 H 0 0 0 0 0 0 0 0 0 -38.4859 26.2147 7.8139 H 0 0 0 0 0 0 0 0 0 -33.2402 25.7304 3.4881 H 0 0 0 0 0 0 0 0 0 -33.5182 24.6326 4.8336 H 0 0 0 0 0 0 0 0 0 -33.7468 24.0776 3.1814 H 0 0 0 0 0 0 0 0 0 -37.9014 21.5697 3.2048 H 0 0 0 0 0 0 0 0 0 -37.2920 21.8146 4.8344 H 0 0 0 0 0 0 0 0 0 -38.5697 22.8520 4.2072 H 0 0 0 0 0 0 0 0 0 -35.6263 21.8698 2.4664 H 0 0 0 0 0 0 0 0 0 -30.1463 28.2738 5.7795 H 0 0 0 0 0 0 0 0 0 -36.8841 26.9205 -2.8494 H 0 0 0 0 0 0 0 0 0 -35.3504 30.7201 -0.7005 H 0 0 0 0 0 0 0 0 0 -36.9057 30.0530 -0.2199 H 0 0 0 0 0 0 0 0 0 -35.4347 29.5586 0.6108 H 0 0 0 0 0 0 0 0 0 -30.2589 27.6609 3.1117 H 0 0 0 0 0 0 0 0 0 -33.2726 27.5273 -3.4548 H 0 0 0 0 0 0 0 0 0 -29.7804 25.5539 -4.8116 H 0 0 0 0 0 0 0 0 0 -31.2236 26.3988 -5.3671 H 0 0 0 0 0 0 0 0 0 -29.6960 27.2662 -5.2013 H 0 0 0 0 0 0 0 0 0 -25.8433 28.3217 -2.9500 H 0 0 0 0 0 0 0 0 0 -25.9474 28.4381 -1.2059 H 0 0 0 0 0 0 0 0 0 -24.4827 27.7965 -1.9697 H 0 0 0 0 0 0 0 0 0 -23.5351 23.6515 -1.7097 H 0 0 0 0 0 0 0 0 0 -24.9659 20.7304 -1.4314 H 0 0 0 0 0 0 0 0 0 -24.9628 20.6547 -3.8764 H 0 0 0 0 0 0 0 0 0 -25.3670 22.1638 -4.6867 H 0 0 0 0 0 0 0 0 0 -23.8107 21.9844 -3.8779 H 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 1 46 1 0 0 0 0 2 32 1 0 0 0 0 2 35 1 0 0 0 0 3 24 1 0 0 0 0 3 32 1 0 0 0 0 4 52 1 0 0 0 0 4 55 1 0 0 0 0 5 47 1 0 0 0 0 5 50 1 0 0 0 0 6 29 2 0 0 0 0 7 37 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 80 1 6 0 0 0 9 13 1 1 0 0 0 9 19 1 0 0 0 0 10 19 1 0 0 0 0 11 25 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 15 82 1 6 0 0 0 15 17 1 1 0 0 0 16 17 1 0 0 0 0 17 83 1 1 0 0 0 17 84 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 88 1 0 0 0 0 18 89 1 0 0 0 0 19 25 1 6 0 0 0 20 26 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 90 1 0 0 0 0 22 27 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 91 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 25 92 1 6 0 0 0 26 29 1 0 0 0 0 26 30 2 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 28 66 1 0 0 0 0 28 31 1 0 0 0 0 30 77 1 0 0 0 0 31 74 1 0 0 0 0 32 33 1 0 0 0 0 32 93 1 1 0 0 0 33 34 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 34 87 1 1 0 0 0 34 36 1 6 0 0 0 34 96 1 0 0 0 0 35 36 1 0 0 0 0 35 65 1 6 0 0 0 35 97 1 1 0 0 0 36 59 1 1 0 0 0 36 98 1 6 0 0 0 37 38 1 0 0 0 0 37 99 1 6 0 0 0 38 39 1 0 0 0 0 38100 1 0 0 0 0 38101 1 0 0 0 0 39 86 1 6 0 0 0 39 41 1 0 0 0 0 39102 1 0 0 0 0 40 41 1 6 0 0 0 40 79 1 0 0 0 0 40103 1 0 0 0 0 41 78 1 6 0 0 0 41104 1 1 0 0 0 42 87 1 6 0 0 0 42 43 1 1 0 0 0 42105 1 0 0 0 0 43 44 1 0 0 0 0 43106 1 0 0 0 0 43107 1 0 0 0 0 44 63 1 1 0 0 0 44 45 1 0 0 0 0 44108 1 6 0 0 0 45 57 1 1 0 0 0 45 46 1 6 0 0 0 45109 1 0 0 0 0 46 64 1 6 0 0 0 46110 1 1 0 0 0 47 86 1 0 0 0 0 47 48 1 6 0 0 0 47111 1 1 0 0 0 48 49 1 0 0 0 0 48112 1 0 0 0 0 48113 1 0 0 0 0 49 85 1 6 0 0 0 49 51 1 0 0 0 0 49114 1 1 0 0 0 50 51 1 6 0 0 0 50 76 1 1 0 0 0 50115 1 0 0 0 0 51 75 1 6 0 0 0 51116 1 0 0 0 0 52 85 1 6 0 0 0 52 53 1 0 0 0 0 52117 1 1 0 0 0 53 54 1 0 0 0 0 53118 1 0 0 0 0 53119 1 0 0 0 0 54 73 1 0 0 0 0 54 56 1 1 0 0 0 54 72 1 6 0 0 0 55 56 1 6 0 0 0 55 71 1 0 0 0 0 55120 1 1 0 0 0 56 67 1 6 0 0 0 56121 1 1 0 0 0 57 58 1 0 0 0 0 58122 1 0 0 0 0 58123 1 0 0 0 0 58124 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 62125 1 0 0 0 0 62126 1 0 0 0 0 62127 1 0 0 0 0 63128 1 0 0 0 0 64129 1 0 0 0 0 64130 1 0 0 0 0 64131 1 0 0 0 0 65132 1 0 0 0 0 65133 1 0 0 0 0 65134 1 0 0 0 0 66135 1 0 0 0 0 66136 1 0 0 0 0 66137 1 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 70138 1 0 0 0 0 70139 1 0 0 0 0 70140 1 0 0 0 0 71141 1 0 0 0 0 71142 1 0 0 0 0 71143 1 0 0 0 0 72144 1 0 0 0 0 72145 1 0 0 0 0 72146 1 0 0 0 0 73147 1 0 0 0 0 74148 1 0 0 0 0 75149 1 0 0 0 0 76150 1 0 0 0 0 76151 1 0 0 0 0 76152 1 0 0 0 0 77153 1 0 0 0 0 78154 1 0 0 0 0 79155 1 0 0 0 0 79156 1 0 0 0 0 79157 1 0 0 0 0 80 81 1 0 0 0 0 81158 1 0 0 0 0 81159 1 0 0 0 0 81160 1 0 0 0 0 82161 1 0 0 0 0 83162 1 0 0 0 0 84163 1 0 0 0 0 84164 1 0 0 0 0 84165 1 0 0 0 0 M END > 58514 > K $$$$ 59269 1016 111283D 59269 62 61 1 1 V2000 2.0160 -19.9719 0.9947 C 0 0 0 0 0 0 0 0 0 3.5254 -20.0485 1.2134 C 0 0 0 0 0 0 0 0 0 4.1539 -21.1574 0.3679 C 0 0 0 0 0 0 0 0 0 5.6696 -21.2059 0.5719 C 0 0 0 0 0 0 0 0 0 6.3599 -22.2797 -0.2755 C 0 0 0 0 0 0 0 0 0 5.9213 -23.7229 0.0031 C 0 0 0 0 0 0 0 0 0 6.0632 -24.1739 1.4599 C 0 0 0 0 0 0 0 0 0 7.5172 -24.1955 1.9407 C 0 0 0 0 0 0 0 0 0 7.6592 -24.5953 3.4133 C 0 0 0 0 0 0 0 0 0 6.9867 -23.6467 4.4120 C 0 0 0 0 0 0 0 0 0 7.5286 -22.2174 4.3366 C 0 0 0 0 0 0 0 0 0 6.8302 -21.2970 5.3375 C 0 0 0 0 0 0 0 0 0 7.3482 -19.8660 5.1901 C 0 0 0 0 0 0 0 0 0 6.6558 -18.9216 6.1723 C 0 0 0 0 0 0 0 0 0 7.1765 -17.4938 6.0038 C 0 0 0 0 0 0 0 0 0 6.5212 -16.5488 7.0053 C 0 0 0 0 0 0 0 0 0 6.8457 -17.0036 8.3030 O 0 0 0 0 0 0 0 0 0 6.3155 -16.1741 9.3182 C 0 0 0 0 0 0 0 0 0 6.7037 -16.7357 10.6833 C 0 0 1 0 0 0 0 0 0 6.1174 -15.9210 11.6802 O 0 0 0 0 0 0 0 0 0 6.3124 -18.2136 10.7796 C 0 0 0 0 0 0 0 0 0 6.6601 -18.7365 12.0444 O 0 0 0 0 0 0 0 0 0 1.5541 -20.9103 1.2659 H 0 0 0 0 0 0 0 0 0 1.6026 -19.1850 1.6087 H 0 0 0 0 0 0 0 0 0 1.8045 -19.7569 -0.0429 H 0 0 0 0 0 0 0 0 0 3.9652 -19.0978 0.9466 H 0 0 0 0 0 0 0 0 0 3.7185 -20.2421 2.2593 H 0 0 0 0 0 0 0 0 0 3.7178 -22.1036 0.6547 H 0 0 0 0 0 0 0 0 0 3.9434 -20.9748 -0.6765 H 0 0 0 0 0 0 0 0 0 6.0837 -20.2469 0.2940 H 0 0 0 0 0 0 0 0 0 5.8861 -21.3728 1.6166 H 0 0 0 0 0 0 0 0 0 6.1709 -22.0658 -1.3180 H 0 0 0 0 0 0 0 0 0 7.4251 -22.2017 -0.1136 H 0 0 0 0 0 0 0 0 0 4.8849 -23.8293 -0.2826 H 0 0 0 0 0 0 0 0 0 6.5049 -24.3834 -0.6225 H 0 0 0 0 0 0 0 0 0 5.4716 -23.5212 2.0836 H 0 0 0 0 0 0 0 0 0 5.6624 -25.1740 1.5462 H 0 0 0 0 0 0 0 0 0 8.0623 -24.9114 1.3420 H 0 0 0 0 0 0 0 0 0 7.9712 -23.2273 1.7950 H 0 0 0 0 0 0 0 0 0 7.2408 -25.5832 3.5449 H 0 0 0 0 0 0 0 0 0 8.7132 -24.6439 3.6480 H 0 0 0 0 0 0 0 0 0 5.9203 -23.6367 4.2399 H 0 0 0 0 0 0 0 0 0 7.1614 -24.0289 5.4079 H 0 0 0 0 0 0 0 0 0 8.5903 -22.2275 4.5396 H 0 0 0 0 0 0 0 0 0 7.3657 -21.8214 3.3456 H 0 0 0 0 0 0 0 0 0 5.7652 -21.3093 5.1515 H 0 0 0 0 0 0 0 0 0 7.0170 -21.6484 6.3426 H 0 0 0 0 0 0 0 0 0 8.4132 -19.8527 5.3759 H 0 0 0 0 0 0 0 0 0 7.1641 -19.5242 4.1810 H 0 0 0 0 0 0 0 0 0 5.5896 -18.9372 5.9949 H 0 0 0 0 0 0 0 0 0 6.8490 -19.2546 7.1826 H 0 0 0 0 0 0 0 0 0 8.2444 -17.4795 6.1688 H 0 0 0 0 0 0 0 0 0 6.9695 -17.1477 5.0012 H 0 0 0 0 0 0 0 0 0 6.9043 -15.5503 6.8442 H 0 0 0 0 0 0 0 0 0 5.4502 -16.5504 6.8531 H 0 0 0 0 0 0 0 0 0 6.7092 -15.1701 9.2419 H 0 0 0 0 0 0 0 0 0 5.2371 -16.1370 9.2530 H 0 0 0 0 0 0 0 0 0 7.7788 -16.6768 10.7779 H 0 0 0 0 0 0 0 0 0 5.2210 -16.1960 11.8408 H 0 0 0 0 0 0 0 0 0 5.2467 -18.3099 10.6263 H 0 0 0 0 0 0 0 0 0 6.8291 -18.7616 10.0029 H 0 0 0 0 0 0 0 0 0 6.4150 -19.6554 12.0802 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 6 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 M END > 59269 > K $$$$ 60309 1016 111283D 60309 32 36 0 3 V2000 0.0315 0.0000 -0.0084 O 0 0 0 0 0 0 0 0 0 0.0167 1.2859 0.0048 N 0 2 0 0 0 0 0 0 0 0.0702 4.0558 0.0370 N 0 2 0 0 0 0 0 0 0 0.1537 5.3386 0.0541 O 0 0 0 0 0 0 0 0 0 -4.7021 0.3391 0.0407 C 0 0 0 0 0 0 0 0 0 -5.4570 1.5102 0.0638 C 0 0 0 0 0 0 0 0 0 -3.3069 0.3579 0.0272 C 0 0 0 0 0 0 0 0 0 -4.8160 2.7435 0.0739 C 0 0 0 0 0 0 0 0 0 -2.6387 1.5931 0.0364 C 0 3 0 0 0 0 0 0 0 -5.4984 4.0863 0.0989 C 0 0 0 0 0 0 0 0 0 -3.4231 2.7492 0.0596 C 0 3 0 0 0 0 0 0 0 -1.2678 1.9914 0.0269 C 0 3 0 0 0 0 0 0 0 -4.7392 5.1957 0.1067 C 0 0 0 0 0 0 0 0 0 -2.6122 3.8888 0.0664 C 0 3 0 0 0 0 0 0 0 -1.2532 3.4235 0.0449 C 0 3 0 0 0 0 0 0 0 -3.2212 5.1106 0.0899 C 0 0 0 0 0 0 0 0 0 2.5379 1.2184 -0.0278 C 0 0 0 0 0 0 0 0 0 3.7453 1.9083 -0.0378 C 0 0 0 0 0 0 0 0 0 1.3163 1.9238 -0.0045 C 0 3 0 0 0 0 0 0 0 1.3407 3.3572 0.0114 C 0 3 0 0 0 0 0 0 0 3.7681 3.2964 -0.0241 C 0 0 0 0 0 0 0 0 0 2.5839 4.0229 0.0011 C 0 0 0 0 0 0 0 0 0 -5.2134 -0.5877 0.0335 H 0 0 0 0 0 0 0 0 0 -6.5132 1.4486 0.0733 H 0 0 0 0 0 0 0 0 0 -2.8147 -0.5792 0.0104 H 0 0 0 0 0 0 0 0 0 -6.5535 4.1677 0.1107 H 0 0 0 0 0 0 0 0 0 -5.2125 6.1418 0.1244 H 0 0 0 0 0 0 0 0 0 -2.7107 6.0407 0.0982 H 0 0 0 0 0 0 0 0 0 2.5937 0.1601 -0.0385 H 0 0 0 0 0 0 0 0 0 4.6641 1.3794 -0.0562 H 0 0 0 0 0 0 0 0 0 4.7020 3.7978 -0.0331 H 0 0 0 0 0 0 0 0 0 2.6728 5.0786 0.0117 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 19 4 0 0 0 0 2 12 4 0 0 0 0 3 20 4 0 0 0 0 3 4 2 0 0 0 0 3 15 4 0 0 0 0 5 7 4 0 0 0 0 5 6 4 0 0 0 0 5 23 1 0 0 0 0 6 8 4 0 0 0 0 6 24 1 0 0 0 0 7 9 4 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 11 4 0 0 0 0 9 11 4 0 0 0 0 9 12 4 0 0 0 0 10 13 2 0 0 0 0 10 26 1 0 0 0 0 11 14 4 0 0 0 0 12 15 4 0 0 0 0 13 16 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 15 4 0 0 0 0 16 28 1 0 0 0 0 17 18 4 0 0 0 0 17 19 4 0 0 0 0 17 29 1 0 0 0 0 18 21 4 0 0 0 0 18 30 1 0 0 0 0 19 20 4 0 0 0 0 20 22 4 0 0 0 0 21 22 4 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M CHG 8 2 2 3 2 9 1 11 1 12 1 14 1 15 1 19 1 M CHG 1 20 1 M END > 60309 > K $$$$ 61805 1016 111283D 61805 26 28 1 1 V2000 0.0745 1.3922 -0.0632 O 0 0 0 0 0 0 0 0 0 -1.0002 -0.6720 -2.7866 O 0 0 0 0 0 0 0 0 0 0.4681 0.9600 -3.1916 O 0 0 0 0 0 0 0 0 0 2.2086 2.3028 -2.8029 O 0 0 0 0 0 0 0 0 0 -0.0062 -0.0720 -2.4560 C 0 0 0 0 0 0 0 0 0 0.7432 -0.4489 -1.2147 C 0 0 2 0 0 0 0 0 0 -0.0708 -0.0073 0.0056 C 0 0 1 0 0 0 0 0 0 0.6041 -0.2801 1.3501 C 0 0 0 0 0 0 0 0 0 1.8609 0.5911 -1.2189 C 0 0 2 0 0 0 0 0 0 1.7164 0.7648 1.3445 C 0 0 0 0 0 0 0 0 0 1.4811 1.4441 -0.0045 C 0 0 2 0 0 0 0 0 0 1.5365 1.3592 -2.4635 C 0 0 0 0 0 0 0 0 0 1.1229 -1.9335 -1.2549 C 0 0 0 0 0 0 0 0 0 3.3135 0.1026 -1.2557 C 0 0 0 0 0 0 0 0 0 -1.0971 -0.3491 -0.0221 H 0 0 0 0 0 0 0 0 0 -0.0885 -0.0695 2.1527 H 0 0 0 0 0 0 0 0 0 0.9752 -1.2902 1.4377 H 0 0 0 0 0 0 0 0 0 1.5518 1.4763 2.1412 H 0 0 0 0 0 0 0 0 0 2.7021 0.3331 1.4323 H 0 0 0 0 0 0 0 0 0 1.8904 2.4450 -0.0434 H 0 0 0 0 0 0 0 0 0 1.6389 -2.1585 -2.1775 H 0 0 0 0 0 0 0 0 0 1.7662 -2.1904 -0.4269 H 0 0 0 0 0 0 0 0 0 0.2271 -2.5360 -1.2034 H 0 0 0 0 0 0 0 0 0 3.5034 -0.4246 -2.1798 H 0 0 0 0 0 0 0 0 0 3.9807 0.9509 -1.1971 H 0 0 0 0 0 0 0 0 0 3.5176 -0.5620 -0.4298 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 5 2 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 1 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 6 0 0 0 9 11 1 1 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 6 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > 61805 > K $$$$ 61811 1016 111283D 61811 56 60 1 1 V2000 0.1700 1.5929 0.3520 N 0 0 0 0 0 0 0 0 0 -0.7039 -0.2496 -0.2218 H 0 0 0 0 0 0 0 0 0 3.1294 -1.5498 -0.1460 H 0 0 0 0 0 0 0 0 0 1.5398 -2.5382 -0.8946 N 0 0 0 0 0 0 0 0 0 0.8831 -3.7620 -0.4511 C 0 0 0 0 0 0 0 0 0 1.5095 -4.4011 0.7883 C 0 0 0 0 0 0 0 0 0 2.2845 -3.4383 1.6940 C 0 0 0 0 0 0 0 0 0 1.9163 -1.9512 1.5617 C 0 0 1 0 0 0 0 0 0 2.0708 -1.5739 0.0734 C 0 0 2 0 0 0 0 0 0 1.4768 -0.2209 -0.3523 C 0 0 1 0 0 0 0 0 0 0.4700 -1.7095 2.0266 C 0 0 0 0 0 0 0 0 0 0.1351 0.1527 0.3273 C 0 0 1 0 0 0 0 0 0 2.2710 1.0186 -0.0690 C 0 0 0 0 0 0 0 0 0 3.6334 1.2219 -0.2373 C 0 0 0 0 0 0 0 0 0 4.1691 2.4458 0.1403 C 0 0 0 0 0 0 0 0 0 1.4566 2.0245 0.4099 C 0 0 0 0 0 0 0 0 0 3.3563 3.4310 0.6926 C 0 0 0 0 0 0 0 0 0 0.0412 -0.2633 1.8017 C 0 0 0 0 0 0 0 0 0 1.9862 3.2327 0.8559 C 0 0 0 0 0 0 0 0 0 0.8202 -1.8316 -1.9461 C 0 0 0 0 0 0 0 0 0 1.3721 -0.4168 -1.8637 C 0 0 0 0 0 0 0 0 0 1.1611 4.1556 1.4356 O 0 0 0 0 0 0 0 0 0 1.6292 5.4828 1.5756 C 0 0 0 0 0 0 0 0 0 -0.9113 2.4248 0.3157 C 0 0 0 0 0 0 0 0 0 -0.7614 3.5870 0.0256 O 0 0 0 0 0 0 0 0 0 -2.3049 1.9665 0.6161 C 0 0 0 0 0 0 0 0 0 2.9341 -1.1304 2.3867 C 0 0 0 0 0 0 0 0 0 2.9115 -1.3354 3.9028 C 0 0 0 0 0 0 0 0 0 -0.1485 -3.5350 -0.2259 H 0 0 0 0 0 0 0 0 0 0.8842 -4.4831 -1.2564 H 0 0 0 0 0 0 0 0 0 0.7122 -4.8620 1.3542 H 0 0 0 0 0 0 0 0 0 2.1884 -5.1817 0.4760 H 0 0 0 0 0 0 0 0 0 2.1598 -3.7682 2.7153 H 0 0 0 0 0 0 0 0 0 3.3309 -3.5401 1.4414 H 0 0 0 0 0 0 0 0 0 -0.2196 -2.3420 1.4928 H 0 0 0 0 0 0 0 0 0 0.3743 -1.9424 3.0767 H 0 0 0 0 0 0 0 0 0 4.2458 0.4699 -0.6399 H 0 0 0 0 0 0 0 0 0 5.1948 2.6308 0.0104 H 0 0 0 0 0 0 0 0 0 3.7940 4.3362 0.9892 H 0 0 0 0 0 0 0 0 0 -0.9743 -0.1398 2.1459 H 0 0 0 0 0 0 0 0 0 0.6674 0.3787 2.4039 H 0 0 0 0 0 0 0 0 0 0.9908 -2.2756 -2.9161 H 0 0 0 0 0 0 0 0 0 -0.2406 -1.8157 -1.7367 H 0 0 0 0 0 0 0 0 0 0.7377 0.3095 -2.3509 H 0 0 0 0 0 0 0 0 0 2.3578 -0.4035 -2.3088 H 0 0 0 0 0 0 0 0 0 1.9884 5.8626 0.6292 H 0 0 0 0 0 0 0 0 0 0.8077 6.1032 1.9010 H 0 0 0 0 0 0 0 0 0 2.4133 5.5375 2.3171 H 0 0 0 0 0 0 0 0 0 -2.6123 1.2105 -0.0894 H 0 0 0 0 0 0 0 0 0 -2.3462 1.5778 1.6220 H 0 0 0 0 0 0 0 0 0 -2.9678 2.8163 0.5445 H 0 0 0 0 0 0 0 0 0 3.9303 -1.3745 2.0443 H 0 0 0 0 0 0 0 0 0 2.7863 -0.0752 2.2172 H 0 0 0 0 0 0 0 0 0 3.7031 -0.7511 4.3496 H 0 0 0 0 0 0 0 0 0 1.9700 -1.0034 4.3143 H 0 0 0 0 0 0 0 0 0 3.0699 -2.3737 4.1516 H 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 16 1 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 6 0 0 0 8 11 1 0 0 0 0 8 27 1 1 0 0 0 9 10 1 6 0 0 0 10 12 1 1 0 0 0 10 13 1 0 0 0 0 10 21 1 6 0 0 0 11 18 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 18 1 1 0 0 0 13 16 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > 61811 > K $$$$ 62791 1016 111283D 62791 73 76 1 1 V2000 -1.3593 -14.7776 -2.1555 C 0 0 0 0 0 0 0 0 0 -2.7689 -14.1894 -2.1691 C 0 0 1 0 0 0 0 0 0 -0.3216 -13.6535 -2.2167 C 0 0 0 0 0 0 0 0 0 -2.9965 -13.3424 -3.4214 C 0 0 0 0 0 0 0 0 0 -0.4534 -12.7291 -3.4447 C 0 0 1 0 0 0 0 0 0 -1.9059 -12.3128 -3.5901 C 0 0 0 0 0 0 0 0 0 1.9861 -11.8851 -3.6815 C 0 0 0 0 0 0 0 0 0 0.5399 -11.5425 -3.2496 C 0 0 1 0 0 0 0 0 0 -2.2557 -11.0513 -3.8749 C 0 0 0 0 0 0 0 0 0 0.0617 -10.1923 -3.7516 C 0 0 0 0 0 0 0 0 0 -1.2353 -9.9658 -4.0014 C 0 0 0 0 0 0 0 0 0 2.9325 -10.6914 -3.8459 C 0 0 0 0 0 0 0 0 0 2.2942 -9.6088 -4.7295 C 0 0 1 0 0 0 0 0 0 1.0789 -9.0941 -3.9547 C 0 0 1 0 0 0 0 0 0 3.1128 -8.3254 -4.9692 C 0 0 1 0 0 0 0 0 0 2.0378 -7.2495 -5.2015 C 0 0 0 0 0 0 0 0 0 0.7022 -7.8374 -4.7384 C 0 0 0 0 0 0 0 0 0 -3.6881 -15.2577 -2.1379 O 0 0 0 0 0 0 0 0 0 -0.1801 -13.5379 -4.7263 C 0 0 0 0 0 0 0 0 0 1.9238 -10.1848 -6.1150 C 0 0 0 0 0 0 0 0 0 5.0700 -6.8219 -4.4178 C 0 0 0 0 0 0 0 0 0 4.1672 -7.9493 -3.9102 C 0 0 1 0 0 0 0 0 0 3.5920 -7.5248 -2.5864 C 0 0 0 0 0 0 0 0 0 4.3645 -6.6927 0.4855 C 0 0 0 0 0 0 0 0 0 3.9475 -8.1252 -1.4430 C 0 0 0 0 0 0 0 0 0 3.3620 -7.6738 -0.1329 C 0 0 1 0 0 0 0 0 0 3.0415 -8.8682 0.7828 C 0 0 0 0 0 0 0 0 0 2.4279 -8.4103 2.1097 C 0 0 0 0 0 0 0 0 0 2.0838 -9.8651 0.1193 C 0 0 0 0 0 0 0 0 0 -1.2262 -15.3387 -1.2418 H 0 0 0 0 0 0 0 0 0 -1.2354 -15.4521 -2.9897 H 0 0 0 0 0 0 0 0 0 -2.8935 -13.5684 -1.2915 H 0 0 0 0 0 0 0 0 0 -0.4475 -13.0631 -1.3192 H 0 0 0 0 0 0 0 0 0 0.6668 -14.0898 -2.1904 H 0 0 0 0 0 0 0 0 0 -3.0154 -13.9868 -4.2877 H 0 0 0 0 0 0 0 0 0 -3.9647 -12.8702 -3.3364 H 0 0 0 0 0 0 0 0 0 2.4145 -12.5839 -2.9776 H 0 0 0 0 0 0 0 0 0 1.9883 -12.3640 -4.6467 H 0 0 0 0 0 0 0 0 0 0.6052 -11.3491 -2.1883 H 0 0 0 0 0 0 0 0 0 -3.2682 -10.8074 -4.0137 H 0 0 0 0 0 0 0 0 0 -1.5581 -9.0111 -4.2951 H 0 0 0 0 0 0 0 0 0 3.1447 -10.2893 -2.8681 H 0 0 0 0 0 0 0 0 0 3.8615 -11.0268 -4.2848 H 0 0 0 0 0 0 0 0 0 1.3850 -8.7771 -2.9679 H 0 0 0 0 0 0 0 0 0 3.6756 -8.4567 -5.8837 H 0 0 0 0 0 0 0 0 0 2.2550 -6.3378 -4.6656 H 0 0 0 0 0 0 0 0 0 1.9698 -7.0164 -6.2549 H 0 0 0 0 0 0 0 0 0 0.1147 -8.1054 -5.6048 H 0 0 0 0 0 0 0 0 0 0.1464 -7.1409 -4.1272 H 0 0 0 0 0 0 0 0 0 -4.5713 -14.9110 -2.0611 H 0 0 0 0 0 0 0 0 0 -0.9293 -14.2985 -4.8854 H 0 0 0 0 0 0 0 0 0 -0.1814 -12.8796 -5.5828 H 0 0 0 0 0 0 0 0 0 0.7694 -14.0484 -4.6654 H 0 0 0 0 0 0 0 0 0 1.1775 -10.9606 -6.0403 H 0 0 0 0 0 0 0 0 0 1.5253 -9.4193 -6.7640 H 0 0 0 0 0 0 0 0 0 2.8051 -10.5970 -6.5846 H 0 0 0 0 0 0 0 0 0 4.5038 -5.9119 -4.5535 H 0 0 0 0 0 0 0 0 0 5.8624 -6.6392 -3.7061 H 0 0 0 0 0 0 0 0 0 5.5130 -7.1048 -5.3620 H 0 0 0 0 0 0 0 0 0 4.8087 -8.8075 -3.7662 H 0 0 0 0 0 0 0 0 0 2.8966 -6.7377 -2.5578 H 0 0 0 0 0 0 0 0 0 3.9555 -6.2436 1.3784 H 0 0 0 0 0 0 0 0 0 5.2836 -7.2038 0.7345 H 0 0 0 0 0 0 0 0 0 4.5847 -5.9015 -0.2172 H 0 0 0 0 0 0 0 0 0 4.6409 -8.9150 -1.4567 H 0 0 0 0 0 0 0 0 0 2.4428 -7.1372 -0.3243 H 0 0 0 0 0 0 0 0 0 3.9594 -9.3957 1.0018 H 0 0 0 0 0 0 0 0 0 3.1262 -7.7916 2.6535 H 0 0 0 0 0 0 0 0 0 1.5227 -7.8485 1.9292 H 0 0 0 0 0 0 0 0 0 2.1930 -9.2687 2.7219 H 0 0 0 0 0 0 0 0 0 1.8229 -10.6501 0.8150 H 0 0 0 0 0 0 0 0 0 1.1814 -9.3677 -0.2068 H 0 0 0 0 0 0 0 0 0 2.5633 -10.3234 -0.7315 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 4 1 6 0 0 0 2 32 1 1 0 0 0 3 5 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 6 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 1 0 0 0 5 19 1 6 0 0 0 6 9 2 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 10 1 6 0 0 0 8 39 1 1 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 10 14 1 0 0 0 0 10 11 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 13 20 1 6 0 0 0 14 17 1 6 0 0 0 14 44 1 1 0 0 0 15 22 1 1 0 0 0 15 16 1 0 0 0 0 15 45 1 6 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 1 0 0 0 23 25 2 0 0 0 0 23 61 1 0 0 0 0 24 26 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 1 0 0 0 26 66 1 6 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 M END > 62791 > K $$$$ 63446 1016 111283D 63446 21 22 0 1 V2000 0.5817 0.3642 -1.1600 N 0 0 0 0 0 0 0 0 0 2.3617 1.4371 -0.0447 N 0 0 0 0 0 0 0 0 0 -0.4451 -0.3103 2.8305 H 0 0 0 0 0 0 0 0 0 0.3277 0.1655 2.4831 N 0 0 0 0 0 0 0 0 0 2.2222 1.3229 2.3865 N 0 0 0 0 0 0 0 0 0 0.0033 -0.0029 0.0115 C 0 0 0 0 0 0 0 0 0 0.6284 0.3645 1.1903 C 0 0 0 0 0 0 0 0 0 1.8032 1.0822 1.1307 C 0 0 0 0 0 0 0 0 0 1.3056 0.7537 3.2037 C 0 0 0 0 0 0 0 0 0 1.7386 1.0706 -1.1886 C 0 0 0 0 0 0 0 0 0 2.2749 1.4121 -2.3791 N 0 0 0 0 0 0 0 0 0 -2.0472 -1.2352 -1.6640 C 0 0 0 0 0 0 0 0 0 -1.5159 -0.9305 0.0407 S 0 0 0 0 0 0 0 0 0 -1.3113 -2.1808 0.7036 O 0 0 0 0 0 0 0 0 0 -2.5275 -0.1881 0.7264 O 0 0 0 0 0 0 0 0 0 1.3538 0.7704 4.2546 H 0 0 0 0 0 0 0 0 0 3.1018 1.9170 -2.4078 H 0 0 0 0 0 0 0 0 0 1.8345 1.1532 -3.2024 H 0 0 0 0 0 0 0 0 0 -2.9685 -1.7975 -1.6547 H 0 0 0 0 0 0 0 0 0 -2.2019 -0.2898 -2.1619 H 0 0 0 0 0 0 0 0 0 -1.2824 -1.7968 -2.1790 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 2 0 0 0 0 2 10 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 7 1 0 0 0 0 5 9 2 0 0 0 0 5 8 1 0 0 0 0 6 13 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 M END > 63446 > K $$$$ 63701 1016 111283D 63701 34 36 1 1 V2000 8.2026 -0.4599 5.9263 N 0 0 0 0 0 0 0 0 0 7.2168 0.2625 3.9128 N 0 0 0 0 0 0 0 0 0 7.1726 -1.0657 -0.1509 O 0 0 0 0 0 0 0 0 0 8.1640 -0.7620 1.9154 N 0 0 0 0 0 0 0 0 0 9.0565 -1.2902 5.2829 C 0 0 0 0 0 0 0 0 0 8.9801 -1.3393 3.8985 C 0 0 0 0 0 0 0 0 0 9.6716 -2.0512 2.9366 C 0 0 0 0 0 0 0 0 0 9.1414 -1.6733 1.7139 C 0 0 0 0 0 0 0 0 0 8.0549 -0.5530 3.2421 C 0 0 0 0 0 0 0 0 0 7.2965 0.3062 5.2656 C 0 0 0 0 0 0 0 0 0 7.3857 -0.1317 0.8867 C 0 0 1 0 0 0 0 0 0 8.1616 0.9938 0.2096 C 0 0 1 0 0 0 0 0 0 7.4877 1.0732 -1.1588 C 0 0 1 0 0 0 0 0 0 6.8537 -0.3123 -1.3055 C 0 0 1 0 0 0 0 0 0 7.0071 -0.2500 -3.6966 O 0 0 0 0 0 0 0 0 0 9.9275 -2.0172 6.0275 N 0 0 0 0 0 0 0 0 0 6.4990 2.0811 -1.2178 O 0 0 0 0 0 0 0 0 0 7.3316 -1.0302 -2.5650 C 0 0 0 0 0 0 0 0 0 8.1603 2.1965 0.9538 O 0 0 0 0 0 0 0 0 0 10.7753 -3.0390 3.1487 C 0 0 0 0 0 0 0 0 0 11.6331 -3.8060 3.3230 N 0 0 0 0 0 0 0 0 0 9.4506 -2.0384 0.7782 H 0 0 0 0 0 0 0 0 0 6.6538 0.9364 5.8081 H 0 0 0 0 0 0 0 0 0 6.4477 0.2493 1.2723 H 0 0 0 0 0 0 0 0 0 9.1751 0.6455 0.0722 H 0 0 0 0 0 0 0 0 0 8.2426 1.2590 -1.9111 H 0 0 0 0 0 0 0 0 0 5.7815 -0.1877 -1.3694 H 0 0 0 0 0 0 0 0 0 7.2836 -0.7121 -4.4834 H 0 0 0 0 0 0 0 0 0 9.9161 -1.9239 6.9931 H 0 0 0 0 0 0 0 0 0 10.5606 -2.6270 5.6207 H 0 0 0 0 0 0 0 0 0 6.1605 2.1289 -2.1082 H 0 0 0 0 0 0 0 0 0 8.4018 -1.1714 -2.5059 H 0 0 0 0 0 0 0 0 0 6.8520 -1.9977 -2.6178 H 0 0 0 0 0 0 0 0 0 8.5080 2.8986 0.4142 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 2 0 0 0 0 2 10 1 0 0 0 0 2 9 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 9 1 0 0 0 0 4 8 1 0 0 0 0 5 16 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 6 7 1 0 0 0 0 7 20 1 0 0 0 0 7 8 2 0 0 0 0 8 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 1 0 0 0 11 24 1 0 0 0 0 12 19 1 1 0 0 0 12 13 1 6 0 0 0 12 25 1 0 0 0 0 13 17 1 1 0 0 0 13 14 1 6 0 0 0 13 26 1 0 0 0 0 14 18 1 6 0 0 0 14 27 1 1 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 3 0 0 0 0 M END > 63701 > K $$$$ 63878 1016 111283D 63878 30 31 1 1 V2000 1.8614 0.5385 -0.4243 O 0 0 0 0 0 0 0 0 0 3.7120 -0.7732 -0.0159 N 0 0 0 0 0 0 0 0 0 5.5927 -0.8286 -1.4547 N 0 0 0 0 0 0 0 0 0 4.4895 1.0492 -1.0519 O 0 0 0 0 0 0 0 0 0 5.7486 -2.0580 -1.2746 C 0 0 0 0 0 0 0 0 0 4.8216 -2.8057 -0.3620 C 0 0 0 0 0 0 0 0 0 3.8400 -2.1123 0.2273 C 0 0 0 0 0 0 0 0 0 4.5903 -0.1370 -0.8470 C 0 0 0 0 0 0 0 0 0 2.6478 -0.0298 0.6019 C 0 0 1 0 0 0 0 0 0 3.0909 1.1195 1.5068 C 0 0 1 0 0 0 0 0 0 1.7738 1.8864 1.5342 C 0 0 1 0 0 0 0 0 0 1.3347 1.7533 0.0741 C 0 0 1 0 0 0 0 0 0 1.3828 4.1214 -0.2452 O 0 0 0 0 0 0 0 0 0 1.8449 2.9035 -0.7904 C 0 0 0 0 0 0 0 0 0 0.8516 1.2364 2.3874 O 0 0 0 0 0 0 0 0 0 3.5571 0.6810 2.7690 O 0 0 0 0 0 0 0 0 0 6.7583 -2.6996 -1.9095 N 0 0 0 0 0 0 0 0 0 4.9408 -3.8346 -0.1940 H 0 0 0 0 0 0 0 0 0 3.1742 -2.6068 0.8740 H 0 0 0 0 0 0 0 0 0 2.0156 -0.6767 1.1982 H 0 0 0 0 0 0 0 0 0 3.8464 1.7117 1.0117 H 0 0 0 0 0 0 0 0 0 1.9163 2.9146 1.8382 H 0 0 0 0 0 0 0 0 0 0.2555 1.7485 0.0277 H 0 0 0 0 0 0 0 0 0 1.6493 4.8348 -0.8184 H 0 0 0 0 0 0 0 0 0 2.9253 2.8884 -0.8178 H 0 0 0 0 0 0 0 0 0 1.4706 2.7671 -1.7954 H 0 0 0 0 0 0 0 0 0 0.0543 1.7548 2.4405 H 0 0 0 0 0 0 0 0 0 3.6787 1.4361 3.3350 H 0 0 0 0 0 0 0 0 0 7.3502 -2.2032 -2.4965 H 0 0 0 0 0 0 0 0 0 6.8948 -3.6513 -1.7829 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 5 2 0 0 0 0 4 8 2 0 0 0 0 5 17 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 9 10 1 6 0 0 0 9 20 1 1 0 0 0 10 16 1 0 0 0 0 10 11 1 1 0 0 0 10 21 1 6 0 0 0 11 15 1 1 0 0 0 11 12 1 0 0 0 0 11 22 1 6 0 0 0 12 14 1 6 0 0 0 12 23 1 1 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M END > 63878 > K $$$$ 63984 1016 111283D 63984 31 33 1 1 V2000 6.3781 -4.0522 -4.9696 N 0 0 0 0 0 0 0 0 0 5.4812 -3.7676 -3.9890 C 0 0 0 0 0 0 0 0 0 7.5712 -3.4162 -5.0650 C 0 0 0 0 0 0 0 0 0 5.7580 -2.8216 -3.0583 N 0 0 0 0 0 0 0 0 0 7.2293 0.7247 0.5293 C 0 0 1 0 0 0 0 0 0 6.3958 1.5876 -0.4124 C 0 0 0 0 0 0 0 0 0 7.8392 -0.2381 -0.3027 O 0 0 0 0 0 0 0 0 0 6.9397 -2.1774 -3.1371 C 0 0 0 0 0 0 0 0 0 7.8667 -2.4441 -4.1208 C 0 0 0 0 0 0 0 0 0 6.8330 -0.6300 -1.2120 C 0 0 1 0 0 0 0 0 0 8.9454 -1.6521 -3.9538 N 0 0 0 0 0 0 0 0 0 6.0761 0.6494 -1.5701 C 0 0 1 0 0 0 0 0 0 7.4554 -1.2175 -2.3595 N 0 0 0 0 0 0 0 0 0 8.6702 -0.9057 -2.8590 C 0 0 0 0 0 0 0 0 0 7.6427 2.5268 2.0586 O 0 0 0 0 0 0 0 0 0 8.4224 -3.7491 -6.0670 N 0 0 0 0 0 0 0 0 0 8.2800 1.5324 1.2853 C 0 0 0 0 0 0 0 0 0 4.6861 0.4262 -1.6866 O 0 0 0 0 0 0 0 0 0 4.5668 -4.2844 -3.9519 H 0 0 0 0 0 0 0 0 0 6.5808 0.2347 1.2439 H 0 0 0 0 0 0 0 0 0 5.5021 1.9439 0.0791 H 0 0 0 0 0 0 0 0 0 6.9743 2.4225 -0.7806 H 0 0 0 0 0 0 0 0 0 6.1513 -1.3281 -0.7428 H 0 0 0 0 0 0 0 0 0 6.4874 1.0549 -2.4847 H 0 0 0 0 0 0 0 0 0 9.3157 -0.1817 -2.4519 H 0 0 0 0 0 0 0 0 0 8.3042 3.0125 2.5424 H 0 0 0 0 0 0 0 0 0 8.1708 -4.4364 -6.7033 H 0 0 0 0 0 0 0 0 0 9.2805 -3.3041 -6.1505 H 0 0 0 0 0 0 0 0 0 8.8418 0.8600 1.9185 H 0 0 0 0 0 0 0 0 0 8.9536 1.9857 0.5712 H 0 0 0 0 0 0 0 0 0 4.2719 1.2141 -2.0245 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 2 4 2 0 0 0 0 2 19 1 0 0 0 0 3 16 1 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 1 0 0 0 5 6 1 6 0 0 0 5 20 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 1 0 0 0 10 12 1 6 0 0 0 10 23 1 0 0 0 0 11 14 2 0 0 0 0 12 18 1 6 0 0 0 12 24 1 1 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 M END > 63984 > K $$$$ 65104 1016 111283D 65104 95 97 1 2 V2000 -6.5393 -33.0882 11.3133 N 0 0 0 0 0 0 0 0 0 -6.0556 -31.7750 9.5532 N 0 5 0 0 0 0 0 0 0 -7.4489 -31.3302 12.7544 N 0 0 0 0 0 0 0 0 0 -5.4538 -27.3875 10.9067 O 0 0 0 0 0 0 0 0 0 -3.6042 -26.6448 9.4941 C 0 0 1 0 0 0 0 0 0 -4.0918 -27.6204 10.5732 C 0 0 1 0 0 0 0 0 0 -4.4969 -26.8179 8.2591 C 0 0 1 0 0 0 0 0 0 -5.9707 -26.5868 8.6154 C 0 0 1 0 0 0 0 0 0 -6.3618 -27.4526 9.8227 C 0 0 1 0 0 0 0 0 0 -6.8584 -29.7207 10.6166 C 0 0 0 0 0 0 0 0 0 -6.5923 -31.0308 10.5379 C 0 3 0 0 0 0 0 0 0 -6.8914 -31.8302 11.6177 C 0 0 0 0 0 0 0 0 0 -6.0352 -33.0296 10.0584 C 0 0 0 0 0 0 0 0 0 -7.6966 -30.1015 12.8313 C 0 0 0 0 0 0 0 0 0 -6.2062 -25.2227 8.9081 O 0 0 0 0 0 0 0 0 0 -6.5705 -28.8561 9.5022 N 0 0 0 0 0 0 0 0 0 -4.0555 -25.9723 7.2156 O 0 0 0 0 0 0 0 0 0 -3.2499 -27.5020 11.8507 C 0 0 1 0 0 0 0 0 0 -3.4447 -26.2800 12.5375 O 0 0 0 0 0 0 0 0 0 -7.4090 -29.2606 11.7873 N 0 0 0 0 0 0 0 0 0 -3.6080 -25.3006 10.0115 N 0 0 0 0 0 0 0 0 0 -2.4523 -24.6337 10.2608 C 0 0 0 0 0 0 0 0 0 -1.3952 -25.1713 10.0321 O 0 0 0 0 0 0 0 0 0 -2.4717 -23.2375 10.8195 C 0 0 0 0 0 0 0 0 0 -3.1242 -22.2698 9.9692 N 0 0 0 0 0 0 0 0 0 -3.3849 -20.9891 10.3454 C 0 0 0 0 0 0 0 0 0 -3.9907 -20.2964 9.5646 O 0 0 0 0 0 0 0 0 0 -2.9676 -20.4035 11.6660 C 0 0 0 0 0 0 0 0 0 -2.5116 -18.9448 11.5604 C 0 0 0 0 0 0 0 0 0 -2.3057 -18.3625 12.9622 C 0 0 0 0 0 0 0 0 0 -1.8894 -16.8900 12.9757 C 0 0 0 0 0 0 0 0 0 -0.4591 -16.6553 12.4846 C 0 0 0 0 0 0 0 0 0 -0.0750 -15.1830 12.6458 C 0 0 0 0 0 0 0 0 0 1.3269 -14.9057 12.0998 C 0 0 0 0 0 0 0 0 0 1.7224 -13.4315 12.2557 C 0 0 0 0 0 0 0 0 0 2.1806 -12.8284 10.9244 C 0 0 0 0 0 0 0 0 0 2.5000 -11.3340 11.0109 C 0 0 0 0 0 0 0 0 0 3.7712 -11.0561 11.8146 C 0 0 0 0 0 0 0 0 0 4.0850 -9.5589 11.8669 C 0 0 0 0 0 0 0 0 0 5.4079 -9.2607 12.5839 C 0 0 0 0 0 0 0 0 0 5.7606 -7.7795 12.4329 C 0 0 0 0 0 0 0 0 0 5.3503 -9.6217 14.0710 C 0 0 0 0 0 0 0 0 0 -3.5889 -28.6559 12.7920 C 0 0 0 0 0 0 0 0 0 -3.4618 -29.8803 12.0999 O 0 0 0 0 0 0 0 0 0 -2.6016 -26.9244 9.1988 H 0 0 0 0 0 0 0 0 0 -3.9678 -28.6265 10.1956 H 0 0 0 0 0 0 0 0 0 -4.3842 -27.8374 7.9161 H 0 0 0 0 0 0 0 0 0 -6.5735 -26.8702 7.7636 H 0 0 0 0 0 0 0 0 0 -7.3066 -27.0506 10.1603 H 0 0 0 0 0 0 0 0 0 -5.6692 -33.8658 9.5360 H 0 0 0 0 0 0 0 0 0 -8.1304 -29.7198 13.7115 H 0 0 0 0 0 0 0 0 0 -7.1332 -25.0235 8.8276 H 0 0 0 0 0 0 0 0 0 -5.8120 -29.2400 8.9745 H 0 0 0 0 0 0 0 0 0 -4.5990 -26.0929 6.4442 H 0 0 0 0 0 0 0 0 0 -2.2053 -27.5922 11.5867 H 0 0 0 0 0 0 0 0 0 -4.3799 -26.1027 12.5886 H 0 0 0 0 0 0 0 0 0 -7.6010 -28.3164 11.8881 H 0 0 0 0 0 0 0 0 0 -4.4526 -24.8592 10.1903 H 0 0 0 0 0 0 0 0 0 -2.9766 -23.2885 11.7728 H 0 0 0 0 0 0 0 0 0 -1.4448 -22.9425 10.9797 H 0 0 0 0 0 0 0 0 0 -3.3975 -22.5333 9.0745 H 0 0 0 0 0 0 0 0 0 -3.8269 -20.4604 12.3175 H 0 0 0 0 0 0 0 0 0 -2.1638 -20.9826 12.0945 H 0 0 0 0 0 0 0 0 0 -1.5905 -18.8978 10.9968 H 0 0 0 0 0 0 0 0 0 -3.2668 -18.3664 11.0463 H 0 0 0 0 0 0 0 0 0 -3.2452 -18.4358 13.4922 H 0 0 0 0 0 0 0 0 0 -1.5676 -18.9450 13.4956 H 0 0 0 0 0 0 0 0 0 -2.5792 -16.3149 12.3739 H 0 0 0 0 0 0 0 0 0 -1.9553 -16.5417 13.9969 H 0 0 0 0 0 0 0 0 0 0.2241 -17.2629 13.0617 H 0 0 0 0 0 0 0 0 0 -0.3850 -16.9339 11.4431 H 0 0 0 0 0 0 0 0 0 -0.7854 -14.5721 12.1063 H 0 0 0 0 0 0 0 0 0 -0.1091 -14.9167 13.6932 H 0 0 0 0 0 0 0 0 0 2.0441 -15.5191 12.6273 H 0 0 0 0 0 0 0 0 0 1.3437 -15.1902 11.0570 H 0 0 0 0 0 0 0 0 0 0.8844 -12.8542 12.6214 H 0 0 0 0 0 0 0 0 0 2.5194 -13.3634 12.9824 H 0 0 0 0 0 0 0 0 0 3.0495 -13.3619 10.5652 H 0 0 0 0 0 0 0 0 0 1.3815 -12.9527 10.2072 H 0 0 0 0 0 0 0 0 0 2.6422 -10.9619 10.0059 H 0 0 0 0 0 0 0 0 0 1.6637 -10.8116 11.4543 H 0 0 0 0 0 0 0 0 0 3.6397 -11.4274 12.8194 H 0 0 0 0 0 0 0 0 0 4.5991 -11.5746 11.3514 H 0 0 0 0 0 0 0 0 0 4.1521 -9.1908 10.8525 H 0 0 0 0 0 0 0 0 0 3.2784 -9.0406 12.3669 H 0 0 0 0 0 0 0 0 0 6.1945 -9.8382 12.1176 H 0 0 0 0 0 0 0 0 0 5.0016 -7.1659 12.8969 H 0 0 0 0 0 0 0 0 0 6.7131 -7.5798 12.9025 H 0 0 0 0 0 0 0 0 0 5.8315 -7.5231 11.3855 H 0 0 0 0 0 0 0 0 0 5.1916 -10.6826 14.1947 H 0 0 0 0 0 0 0 0 0 6.2833 -9.3603 14.5489 H 0 0 0 0 0 0 0 0 0 4.5449 -9.0847 14.5515 H 0 0 0 0 0 0 0 0 0 -2.9102 -28.6216 13.6333 H 0 0 0 0 0 0 0 0 0 -4.6018 -28.5347 13.1494 H 0 0 0 0 0 0 0 0 0 -3.5803 -30.6023 12.7106 H 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 2 13 1 0 0 0 0 2 11 1 0 0 0 0 3 14 2 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 5 45 1 6 0 0 0 6 18 1 6 0 0 0 6 46 1 1 0 0 0 7 17 1 0 0 0 0 7 8 1 1 0 0 0 7 47 1 0 0 0 0 8 15 1 0 0 0 0 8 9 1 6 0 0 0 8 48 1 1 0 0 0 9 16 1 0 0 0 0 9 49 1 1 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 11 2 0 0 0 0 11 12 2 0 0 0 0 13 50 1 0 0 0 0 14 20 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 6 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 33 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 34 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 35 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 36 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 36 37 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 38 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 38 39 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 39 40 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 41 89 1 0 0 0 0 42 90 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 43 44 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 95 1 0 0 0 0 M CHG 2 2 -1 11 1 M END > 65104 > K $$$$ 65346 1016 111283D 65346 37 39 1 1 V2000 11.0301 -2.5556 1.5693 N 0 0 0 0 0 0 0 0 0 9.3063 -1.1600 0.8075 N 0 0 0 0 0 0 0 0 0 6.6401 -0.5626 -0.0554 O 0 0 0 0 0 0 0 0 0 7.2440 -1.3463 2.0606 N 0 0 0 0 0 0 0 0 0 7.9322 -2.8059 3.5952 C 0 0 0 0 0 0 0 0 0 8.9636 -2.6025 2.6893 C 0 0 0 0 0 0 0 0 0 6.8691 -2.0377 3.1530 C 0 0 0 0 0 0 0 0 0 10.2429 -3.1177 2.5165 C 0 0 0 0 0 0 0 0 0 8.5221 -1.6544 1.7863 C 0 0 0 0 0 0 0 0 0 10.5835 -1.5962 0.7220 C 0 0 0 0 0 0 0 0 0 6.4141 -0.4390 1.3302 C 0 0 1 0 0 0 0 0 0 6.7923 0.9969 1.6571 C 0 0 1 0 0 0 0 0 0 6.1676 1.7218 0.4701 C 0 0 1 0 0 0 0 0 0 6.1615 0.6426 -0.6181 C 0 0 1 0 0 0 0 0 0 10.7842 -4.1493 3.2099 N 0 0 0 0 0 0 0 0 0 6.5010 2.2290 -2.3691 O 0 0 0 0 0 0 0 0 0 7.0030 1.0234 -1.8313 C 0 0 0 0 0 0 0 0 0 4.8488 2.1349 0.7645 O 0 0 0 0 0 0 0 0 0 7.8419 -3.6427 4.8391 C 0 0 0 0 0 0 0 0 0 6.7562 -4.0269 5.1987 O 0 0 0 0 0 0 0 0 0 8.8994 -3.9974 5.6052 N 0 0 0 0 0 0 0 0 0 6.3404 1.3839 2.9417 O 0 0 0 0 0 0 0 0 0 5.9195 -2.0004 3.6027 H 0 0 0 0 0 0 0 0 0 11.2300 -1.1938 -0.0024 H 0 0 0 0 0 0 0 0 0 5.3659 -0.6000 1.5517 H 0 0 0 0 0 0 0 0 0 7.8678 1.0805 1.5920 H 0 0 0 0 0 0 0 0 0 6.7796 2.5745 0.2095 H 0 0 0 0 0 0 0 0 0 5.1406 0.5001 -0.9434 H 0 0 0 0 0 0 0 0 0 11.7317 -4.3356 3.1123 H 0 0 0 0 0 0 0 0 0 10.2517 -4.7093 3.7913 H 0 0 0 0 0 0 0 0 0 6.9282 2.3986 -3.2041 H 0 0 0 0 0 0 0 0 0 8.0338 1.1433 -1.5283 H 0 0 0 0 0 0 0 0 0 6.9412 0.2234 -2.5561 H 0 0 0 0 0 0 0 0 0 4.5261 2.6649 0.0412 H 0 0 0 0 0 0 0 0 0 8.7636 -4.6457 6.3132 H 0 0 0 0 0 0 0 0 0 9.7762 -3.6116 5.4632 H 0 0 0 0 0 0 0 0 0 6.3007 2.3325 2.9874 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 2 0 0 0 0 2 10 1 0 0 0 0 2 9 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 9 1 0 0 0 0 4 7 1 0 0 0 0 5 19 1 0 0 0 0 5 7 2 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 6 8 2 0 0 0 0 7 23 1 0 0 0 0 8 15 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 1 0 0 0 12 22 1 1 0 0 0 12 13 1 6 0 0 0 12 26 1 0 0 0 0 13 18 1 1 0 0 0 13 14 1 6 0 0 0 13 27 1 0 0 0 0 14 17 1 6 0 0 0 14 28 1 1 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END > 65346 > K $$$$ 65380 1016 111283D 65380 48 52 1 1 V2000 -1.1162 -2.9082 0.0100 O 0 0 0 0 0 0 0 0 0 -0.0872 0.2898 0.2150 O 0 0 0 0 0 0 0 0 0 1.4144 1.9691 5.6015 O 0 0 0 0 0 0 0 0 0 -0.4222 -1.0252 2.1472 C 0 0 1 0 0 0 0 0 0 0.6620 -0.6958 3.1772 C 0 0 1 0 0 0 0 0 0 0.1048 -1.0161 0.7071 C 0 0 1 0 0 0 0 0 0 -0.1704 -2.1839 -0.1965 C 0 0 0 0 0 0 0 0 0 0.7249 -2.4758 -1.3661 C 0 0 0 0 0 0 0 0 0 0.5541 -3.6635 -2.0678 C 0 0 0 0 0 0 0 0 0 1.3870 -3.9738 -3.1345 C 0 0 0 0 0 0 0 0 0 1.4549 0.5532 2.7571 C 0 0 1 0 0 0 0 0 0 1.2622 -0.1090 0.2905 C 0 0 2 0 0 0 0 0 0 1.7192 -1.5834 -1.7553 C 0 0 0 0 0 0 0 0 0 2.3968 -3.0951 -3.5021 C 0 0 0 0 0 0 0 0 0 2.1941 0.2623 1.4440 C 0 0 1 0 0 0 0 0 0 1.9308 -0.2560 -1.0809 C 0 0 1 0 0 0 0 0 0 2.5648 -1.9010 -2.8113 C 0 0 0 0 0 0 0 0 0 2.6999 1.7432 6.1317 C 0 0 1 0 0 0 0 0 0 2.4603 2.0133 4.6553 C 0 0 1 0 0 0 0 0 0 3.5450 -1.0163 -3.1361 O 0 0 0 0 0 0 0 0 0 1.4561 0.7456 -1.9568 O 0 0 0 0 0 0 0 0 0 3.0313 1.3301 1.0388 O 0 0 0 0 0 0 0 0 0 -0.9540 -2.2777 2.5254 O 0 0 0 0 0 0 0 0 0 0.5877 1.6582 2.5832 O 0 0 0 0 0 0 0 0 0 0.0057 -0.5697 4.5575 C 0 0 0 0 0 0 0 0 0 2.5572 0.8367 3.7394 C 0 0 0 0 0 0 0 0 0 3.5251 0.1123 3.7890 O 0 0 0 0 0 0 0 0 0 3.2396 2.8852 6.9835 C 0 0 0 0 0 0 0 0 0 -1.1932 -0.2668 2.2038 H 0 0 0 0 0 0 0 0 0 1.3411 -1.5360 3.2220 H 0 0 0 0 0 0 0 0 0 -0.2081 -4.3325 -1.7909 H 0 0 0 0 0 0 0 0 0 1.2538 -4.8725 -3.6621 H 0 0 0 0 0 0 0 0 0 3.0330 -3.3328 -4.3026 H 0 0 0 0 0 0 0 0 0 2.8214 -0.6072 1.5939 H 0 0 0 0 0 0 0 0 0 2.9945 -0.1119 -0.9435 H 0 0 0 0 0 0 0 0 0 2.8868 0.7193 6.4248 H 0 0 0 0 0 0 0 0 0 2.6909 2.9993 4.2797 H 0 0 0 0 0 0 0 0 0 4.0650 -1.3357 -3.8660 H 0 0 0 0 0 0 0 0 0 2.0518 0.8267 -2.6964 H 0 0 0 0 0 0 0 0 0 3.8458 1.3179 1.5329 H 0 0 0 0 0 0 0 0 0 -1.7860 -2.4155 2.0775 H 0 0 0 0 0 0 0 0 0 0.1616 1.8929 3.4030 H 0 0 0 0 0 0 0 0 0 -0.4900 -1.4964 4.8092 H 0 0 0 0 0 0 0 0 0 0.7490 -0.3674 5.3138 H 0 0 0 0 0 0 0 0 0 -0.7273 0.2240 4.5616 H 0 0 0 0 0 0 0 0 0 2.8257 2.8130 7.9780 H 0 0 0 0 0 0 0 0 0 4.3159 2.8109 7.0354 H 0 0 0 0 0 0 0 0 0 2.9654 3.8367 6.5519 H 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 23 1 0 0 0 0 4 6 1 6 0 0 0 4 5 1 1 0 0 0 4 29 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 1 0 0 0 5 30 1 6 0 0 0 6 7 1 6 0 0 0 6 12 1 1 0 0 0 7 8 1 0 0 0 0 8 13 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 11 24 1 0 0 0 0 11 26 1 1 0 0 0 11 15 1 6 0 0 0 12 15 1 1 0 0 0 12 16 1 6 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 17 2 0 0 0 0 14 33 1 0 0 0 0 15 22 1 1 0 0 0 15 34 1 6 0 0 0 16 21 1 6 0 0 0 16 35 1 1 0 0 0 17 20 1 0 0 0 0 18 19 1 6 0 0 0 18 28 1 1 0 0 0 18 36 1 0 0 0 0 19 26 1 6 0 0 0 19 37 1 1 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END > 65380 > K $$$$ 65381 1016 111283D 65381 12 11 0 1 V2000 -0.0091 1.4483 0.0129 C 0 0 0 0 0 0 0 0 0 1.0266 2.0509 0.0031 O 0 0 0 0 0 0 0 0 0 0.0140 0.0102 0.0018 C 0 0 0 0 0 0 0 0 0 0.0059 -1.1922 -0.0053 C 0 0 0 0 0 0 0 0 0 -1.0063 -3.2328 -0.0057 O 0 0 0 0 0 0 0 0 0 0.0291 -2.6304 -0.0119 C 0 0 0 0 0 0 0 0 0 -1.1936 2.0867 0.0303 N 0 0 0 0 0 0 0 0 0 1.2138 -3.2687 -0.0272 N 0 0 0 0 0 0 0 0 0 -1.2060 3.0553 0.0355 H 0 0 0 0 0 0 0 0 0 -2.0266 1.5897 0.0395 H 0 0 0 0 0 0 0 0 0 1.2261 -4.2373 -0.0324 H 0 0 0 0 0 0 0 0 0 2.0468 -2.7717 -0.0324 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 3 4 3 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 M END > 65381 > K $$$$ 65423 1016 111283D 65423 30 32 1 2 V2000 9.1316 -0.8142 5.6200 N 0 0 0 0 0 0 0 0 0 7.7883 0.0954 3.9059 N 0 0 0 0 0 0 0 0 0 9.3982 -2.6996 2.5051 N 0 5 0 0 0 0 0 0 0 6.5582 -1.2894 -0.0111 O 0 0 0 0 0 0 0 0 0 7.9561 -1.1623 1.8204 N 0 3 0 0 0 0 0 0 0 9.5911 -1.8110 4.8196 C 0 0 0 0 0 0 0 0 0 9.1296 -1.8507 3.5163 C 0 0 0 0 0 0 0 0 0 8.2360 -0.8895 3.1004 C 0 0 0 0 0 0 0 0 0 8.6542 -2.2631 1.4682 C 0 0 0 0 0 0 0 0 0 8.2496 0.1224 5.1808 C 0 0 0 0 0 0 0 0 0 7.0783 -0.4187 0.9776 C 0 0 1 0 0 0 0 0 0 7.8576 0.6785 0.2577 C 0 0 1 0 0 0 0 0 0 6.9468 0.8380 -0.9527 C 0 0 1 0 0 0 0 0 0 6.6176 -0.6236 -1.2565 C 0 0 1 0 0 0 0 0 0 7.7982 -0.5449 -3.3232 O 0 0 0 0 0 0 0 0 0 7.6638 -1.3013 -2.1403 C 0 0 0 0 0 0 0 0 0 5.7708 1.5160 -0.5600 O 0 0 0 0 0 0 0 0 0 8.0126 1.8408 1.0492 O 0 0 0 0 0 0 0 0 0 10.2719 -2.5300 5.1686 H 0 0 0 0 0 0 0 0 0 8.6280 -2.7236 0.5227 H 0 0 0 0 0 0 0 0 0 7.9229 0.8744 5.8377 H 0 0 0 0 0 0 0 0 0 6.2745 0.0404 1.5403 H 0 0 0 0 0 0 0 0 0 8.8213 0.2914 -0.0436 H 0 0 0 0 0 0 0 0 0 7.4393 1.3443 -1.7726 H 0 0 0 0 0 0 0 0 0 5.6662 -0.6772 -1.7659 H 0 0 0 0 0 0 0 0 0 8.3512 -1.0231 -3.9366 H 0 0 0 0 0 0 0 0 0 8.6136 -1.3568 -1.6270 H 0 0 0 0 0 0 0 0 0 7.3301 -2.3066 -2.3590 H 0 0 0 0 0 0 0 0 0 5.2567 1.7368 -1.3327 H 0 0 0 0 0 0 0 0 0 8.4628 2.5129 0.5460 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 9 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 1 0 0 0 11 22 1 0 0 0 0 12 18 1 1 0 0 0 12 13 1 6 0 0 0 12 23 1 0 0 0 0 13 17 1 1 0 0 0 13 14 1 6 0 0 0 13 24 1 0 0 0 0 14 16 1 6 0 0 0 14 25 1 1 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 M CHG 2 3 -1 5 1 M END > 65423 > K $$$$ 65937 1016 111283D 65937 30 32 0 1 V2000 3.7727 -4.5332 -3.4241 O 0 0 0 0 0 0 0 0 0 1.7706 -4.5158 -2.4742 O 0 0 0 0 0 0 0 0 0 -1.0110 -6.1192 0.1387 C 0 0 0 0 0 0 0 0 0 -1.1987 -4.8507 -0.4041 C 0 0 0 0 0 0 0 0 0 0.1073 -6.8516 -0.1902 C 0 0 0 0 0 0 0 0 0 -0.2648 -4.3168 -1.2778 C 0 0 0 0 0 0 0 0 0 1.0517 -6.3222 -1.0691 C 0 0 0 0 0 0 0 0 0 0.8666 -5.0452 -1.6192 C 0 0 0 0 0 0 0 0 0 2.2568 -7.0918 -1.4325 C 0 0 0 0 0 0 0 0 0 2.4798 -8.3797 -0.9609 C 0 0 0 0 0 0 0 0 0 3.6248 -9.0536 -1.3350 C 0 0 0 0 0 0 0 0 0 3.2006 -6.4827 -2.2868 C 0 0 0 0 0 0 0 0 0 4.5527 -8.4573 -2.1759 C 0 0 0 0 0 0 0 0 0 4.3497 -7.1799 -2.6540 C 0 0 0 0 0 0 0 0 0 2.9355 -5.1182 -2.7643 C 0 0 0 0 0 0 0 0 0 -2.3356 -4.1119 -0.0662 N 0 0 0 0 0 0 0 0 0 -2.5296 -3.7185 1.2081 C 0 0 0 0 0 0 0 0 0 -3.5804 -3.2065 1.5315 O 0 0 0 0 0 0 0 0 0 -1.4407 -3.9148 2.2313 C 0 0 0 0 0 0 0 0 0 -1.2771 -2.4218 3.2288 Cl 0 0 0 0 0 0 0 0 0 -1.8616 -5.3067 3.2973 Cl 0 0 0 0 0 0 0 0 0 -1.7429 -6.5283 0.8196 H 0 0 0 0 0 0 0 0 0 0.2524 -7.8354 0.2311 H 0 0 0 0 0 0 0 0 0 -0.4179 -3.3321 -1.6943 H 0 0 0 0 0 0 0 0 0 1.7620 -8.8503 -0.3053 H 0 0 0 0 0 0 0 0 0 3.7999 -10.0546 -0.9692 H 0 0 0 0 0 0 0 0 0 5.4431 -8.9989 -2.4591 H 0 0 0 0 0 0 0 0 0 5.0766 -6.7228 -3.3089 H 0 0 0 0 0 0 0 0 0 -2.9853 -3.8823 -0.7490 H 0 0 0 0 0 0 0 0 0 -0.4977 -4.1180 1.7239 H 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 4 16 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 5 23 1 0 0 0 0 6 8 2 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 9 12 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 M END > 65937 > K $$$$ 66300 1016 111283D 66300 33 32 1 1 V2000 0.1253 1.1851 0.5499 N 0 0 0 0 0 0 0 0 0 -0.3824 -0.0764 -4.9129 C 0 0 0 0 0 0 0 0 0 -0.6929 -1.0873 -3.8110 C 0 0 0 0 0 0 0 0 0 -0.7709 -0.4009 -2.4468 C 0 0 0 0 0 0 0 0 0 -1.0696 -1.4074 -1.3321 C 0 0 0 0 0 0 0 0 0 -1.1977 -0.7354 0.0400 C 0 0 1 0 0 0 0 0 0 -1.5829 -1.7669 1.1069 C 0 0 0 0 0 0 0 0 0 -1.8187 -1.1356 2.4793 C 0 0 0 0 0 0 0 0 0 0.0932 -0.0588 0.4074 C 0 0 0 0 0 0 0 0 0 1.1636 1.8295 0.8631 N 0 0 0 0 0 0 0 0 0 0.0772 3.8189 0.8217 N 0 0 0 0 0 0 0 0 0 1.1335 3.1775 1.0012 C 0 0 0 0 0 0 0 0 0 2.2688 3.8311 1.3384 N 0 0 0 0 0 0 0 0 0 -1.1565 0.6766 -4.9509 H 0 0 0 0 0 0 0 0 0 0.5685 0.3995 -4.7198 H 0 0 0 0 0 0 0 0 0 -0.3359 -0.5834 -5.8657 H 0 0 0 0 0 0 0 0 0 -1.6373 -1.5660 -4.0289 H 0 0 0 0 0 0 0 0 0 0.0852 -1.8375 -3.7940 H 0 0 0 0 0 0 0 0 0 0.1728 0.0872 -2.2475 H 0 0 0 0 0 0 0 0 0 -1.5516 0.3465 -2.4688 H 0 0 0 0 0 0 0 0 0 -2.0003 -1.9067 -1.5625 H 0 0 0 0 0 0 0 0 0 -0.2815 -2.1469 -1.2991 H 0 0 0 0 0 0 0 0 0 -1.9816 0.0077 -0.0155 H 0 0 0 0 0 0 0 0 0 -2.4959 -2.2603 0.8050 H 0 0 0 0 0 0 0 0 0 -0.8032 -2.5109 1.1918 H 0 0 0 0 0 0 0 0 0 -2.6121 -0.4047 2.4185 H 0 0 0 0 0 0 0 0 0 -2.1008 -1.9033 3.1851 H 0 0 0 0 0 0 0 0 0 -0.9175 -0.6532 2.8294 H 0 0 0 0 0 0 0 0 0 0.9622 -0.6333 0.5421 H 0 0 0 0 0 0 0 0 0 2.0066 1.3740 1.0125 H 0 0 0 0 0 0 0 0 0 0.0612 4.7811 0.9215 H 0 0 0 0 0 0 0 0 0 2.2674 4.7943 1.4412 H 0 0 0 0 0 0 0 0 0 3.0892 3.3359 1.4787 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 7 1 1 0 0 0 6 23 1 6 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 M END > 66300 > K $$$$ 66914 1016 111283D 66914 19 19 0 1 V2000 3.7638 -0.9932 -0.0243 Cl 0 0 0 0 0 0 0 0 0 1.1174 -0.7068 -0.0021 N 0 0 0 0 0 0 0 0 0 1.0386 3.7453 0.0268 Cl 0 0 0 0 0 0 0 0 0 -0.0446 1.3137 0.0196 N 0 0 0 0 0 0 0 0 0 -1.5593 -0.9019 0.0153 Cl 0 0 0 0 0 0 0 0 0 2.2989 -0.0523 -0.0117 C 0 0 0 0 0 0 0 0 0 2.3329 1.3370 -0.0117 C 0 0 0 0 0 0 0 0 0 1.1153 2.0058 0.0107 C 0 0 0 0 0 0 0 0 0 -0.0527 -0.0354 0.0105 C 0 0 0 0 0 0 0 0 0 3.6386 2.0880 -0.0322 C 0 0 0 0 0 0 0 0 0 4.1071 2.3421 1.4006 C 0 0 0 0 0 0 0 0 0 5.4301 3.1028 1.4188 C 0 0 0 0 0 0 0 0 0 4.3910 1.5191 -0.5598 H 0 0 0 0 0 0 0 0 0 3.5204 3.0328 -0.5436 H 0 0 0 0 0 0 0 0 0 3.3617 2.9227 1.9255 H 0 0 0 0 0 0 0 0 0 4.2388 1.3977 1.9092 H 0 0 0 0 0 0 0 0 0 6.1911 2.5287 0.9100 H 0 0 0 0 0 0 0 0 0 5.3121 4.0573 0.9263 H 0 0 0 0 0 0 0 0 0 5.7372 3.2685 2.4412 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 9 1 0 0 0 0 2 6 2 0 0 0 0 3 8 1 0 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END > 66914 > K $$$$ 67574 1016 111283D 67574 116124 1 1 V2000 6.9190 13.8849 -20.1687 N 0 0 0 0 0 0 0 0 0 7.6222 14.3151 -20.6796 H 0 0 0 0 0 0 0 0 0 10.1852 10.8413 -14.4778 N 0 0 0 0 0 0 0 0 0 6.7419 9.5217 -18.1131 N 0 0 0 0 0 0 0 0 0 8.9392 11.2482 -12.9764 H 0 0 0 0 0 0 0 0 0 7.2267 14.5246 -15.0370 N 0 0 0 0 0 0 0 0 0 9.0926 14.2709 -15.8330 H 0 0 0 0 0 0 0 0 0 7.5586 8.5910 -17.3327 C 0 0 0 0 0 0 0 0 0 8.3021 7.5394 -18.1726 C 0 0 1 0 0 0 0 0 0 8.6326 8.0809 -19.5734 C 0 0 0 0 0 0 0 0 0 7.5997 9.0383 -20.2083 C 0 0 2 0 0 0 0 0 0 8.0712 10.4685 -20.5763 C 0 0 0 0 0 0 0 0 0 8.1926 11.7208 -19.6470 C 0 0 1 0 0 0 0 0 0 6.9486 12.6228 -19.5653 C 0 0 0 0 0 0 0 0 0 5.8265 10.3276 -17.3303 C 0 0 0 0 0 0 0 0 0 5.0487 11.3671 -18.1313 C 0 0 0 0 0 0 0 0 0 5.6978 12.4622 -18.9512 C 0 0 0 0 0 0 0 0 0 4.9537 13.6075 -19.2029 C 0 0 0 0 0 0 0 0 0 3.6598 13.9622 -18.8403 C 0 0 0 0 0 0 0 0 0 3.1733 15.2066 -19.2312 C 0 0 0 0 0 0 0 0 0 5.7142 14.4816 -19.9440 C 0 0 0 0 0 0 0 0 0 3.9612 16.0824 -19.9738 C 0 0 0 0 0 0 0 0 0 5.2522 15.7247 -20.3437 C 0 0 0 0 0 0 0 0 0 6.7770 15.7866 -14.4544 C 0 0 0 0 0 0 0 0 0 7.3362 15.9431 -13.0706 C 0 0 0 0 0 0 0 0 0 8.5889 15.5474 -12.8080 C 0 0 0 0 0 0 0 0 0 9.4609 14.9766 -13.8996 C 0 0 2 0 0 0 0 0 0 8.6282 14.1099 -14.8687 C 0 0 1 0 0 0 0 0 0 6.3077 13.4004 -14.8982 C 0 0 0 0 0 0 0 0 0 7.1167 12.3493 -14.1626 C 0 0 0 0 0 0 0 0 0 8.5521 12.5872 -14.6245 C 0 0 2 0 0 0 0 0 0 10.6680 14.1901 -13.3541 C 0 0 2 0 0 0 0 0 0 9.5177 11.8476 -13.6667 C 0 0 2 0 0 0 0 0 0 8.9328 11.9486 -15.9312 C 0 0 0 0 0 0 0 0 0 8.3899 12.2037 -17.1797 C 0 0 0 0 0 0 0 0 0 8.8792 11.5481 -18.3062 C 0 0 0 0 0 0 0 0 0 9.9410 11.0240 -15.7943 C 0 0 0 0 0 0 0 0 0 10.0100 10.7440 -18.1761 C 0 0 0 0 0 0 0 0 0 10.3067 12.8124 -12.7591 C 0 0 2 0 0 0 0 0 0 10.5255 10.4501 -16.9154 C 0 0 0 0 0 0 0 0 0 6.3063 9.0327 -19.4128 C 0 0 0 0 0 0 0 0 0 10.5817 10.2574 -19.3119 O 0 0 0 0 0 0 0 0 0 11.9867 10.3734 -19.4194 C 0 0 0 0 0 0 0 0 0 10.9509 9.8170 -13.9951 C 0 0 0 0 0 0 0 0 0 11.4660 9.0319 -14.7543 O 0 0 0 0 0 0 0 0 0 9.1450 12.6087 -20.4179 C 0 0 0 0 0 0 0 0 0 10.0083 13.2528 -19.8658 O 0 0 0 0 0 0 0 0 0 9.0029 12.6834 -21.7727 O 0 0 0 0 0 0 0 0 0 9.9454 13.5214 -22.4074 C 0 0 0 0 0 0 0 0 0 9.4609 13.0483 -11.6432 O 0 0 0 0 0 0 0 0 0 11.6098 12.1361 -12.4124 C 0 0 0 0 0 0 0 0 0 12.5669 12.2800 -13.1379 O 0 0 0 0 0 0 0 0 0 11.7158 11.3577 -11.2987 O 0 0 0 0 0 0 0 0 0 13.0622 11.1914 -10.8909 C 0 0 0 0 0 0 0 0 0 9.5796 7.0347 -17.4786 C 0 0 0 0 0 0 0 0 0 9.3949 6.5237 -16.0477 C 0 0 0 0 0 0 0 0 0 7.4424 6.4458 -18.4221 O 0 0 0 0 0 0 0 0 0 10.0018 16.1843 -14.7038 C 0 0 0 0 0 0 0 0 0 10.4478 17.4180 -13.9148 C 0 0 0 0 0 0 0 0 0 11.2415 14.9978 -12.3313 O 0 0 0 0 0 0 0 0 0 12.5783 15.2683 -12.3186 C 0 0 0 0 0 0 0 0 0 13.1562 15.2274 -11.2601 O 0 0 0 0 0 0 0 0 0 13.3683 15.6287 -13.5441 C 0 0 0 0 0 0 0 0 0 8.2689 9.1732 -16.7703 H 0 0 0 0 0 0 0 0 0 6.9364 8.0620 -16.6254 H 0 0 0 0 0 0 0 0 0 9.6061 8.5251 -19.5722 H 0 0 0 0 0 0 0 0 0 8.7277 7.2150 -20.2130 H 0 0 0 0 0 0 0 0 0 7.3594 8.5808 -21.1585 H 0 0 0 0 0 0 0 0 0 9.0316 10.2932 -21.0423 H 0 0 0 0 0 0 0 0 0 7.4117 10.7840 -21.3732 H 0 0 0 0 0 0 0 0 0 5.1052 9.6655 -16.8712 H 0 0 0 0 0 0 0 0 0 6.3675 10.8195 -16.5389 H 0 0 0 0 0 0 0 0 0 4.3586 10.8507 -18.7812 H 0 0 0 0 0 0 0 0 0 4.4424 11.8562 -17.3835 H 0 0 0 0 0 0 0 0 0 3.0539 13.3108 -18.2836 H 0 0 0 0 0 0 0 0 0 2.1985 15.4903 -18.9627 H 0 0 0 0 0 0 0 0 0 3.5802 17.0190 -20.2578 H 0 0 0 0 0 0 0 0 0 5.8607 16.3695 -20.9060 H 0 0 0 0 0 0 0 0 0 7.1231 16.6068 -15.0653 H 0 0 0 0 0 0 0 0 0 5.6980 15.8415 -14.4236 H 0 0 0 0 0 0 0 0 0 6.7465 16.3640 -12.3108 H 0 0 0 0 0 0 0 0 0 8.9701 15.6438 -11.8334 H 0 0 0 0 0 0 0 0 0 5.4095 13.6347 -14.3440 H 0 0 0 0 0 0 0 0 0 6.0243 13.0410 -15.8750 H 0 0 0 0 0 0 0 0 0 7.0468 12.5569 -13.1035 H 0 0 0 0 0 0 0 0 0 6.7741 11.3436 -14.3602 H 0 0 0 0 0 0 0 0 0 11.3377 14.0001 -14.1799 H 0 0 0 0 0 0 0 0 0 7.6081 12.8948 -17.2571 H 0 0 0 0 0 0 0 0 0 11.3439 9.8033 -16.8152 H 0 0 0 0 0 0 0 0 0 5.8906 8.0367 -19.3382 H 0 0 0 0 0 0 0 0 0 5.6007 9.6665 -19.9250 H 0 0 0 0 0 0 0 0 0 12.2668 10.0961 -20.4254 H 0 0 0 0 0 0 0 0 0 12.2986 11.3950 -19.2498 H 0 0 0 0 0 0 0 0 0 12.4941 9.7135 -18.7314 H 0 0 0 0 0 0 0 0 0 11.1034 9.6906 -12.9624 H 0 0 0 0 0 0 0 0 0 9.7489 13.5185 -23.4699 H 0 0 0 0 0 0 0 0 0 9.8626 14.5349 -22.0410 H 0 0 0 0 0 0 0 0 0 10.9488 13.1566 -22.2403 H 0 0 0 0 0 0 0 0 0 9.5497 12.3458 -11.0050 H 0 0 0 0 0 0 0 0 0 13.5568 12.1493 -10.7897 H 0 0 0 0 0 0 0 0 0 13.0872 10.7000 -9.9287 H 0 0 0 0 0 0 0 0 0 13.6057 10.5876 -11.6041 H 0 0 0 0 0 0 0 0 0 10.0065 6.2387 -18.0716 H 0 0 0 0 0 0 0 0 0 10.2941 7.8427 -17.4411 H 0 0 0 0 0 0 0 0 0 8.7824 5.6346 -16.0407 H 0 0 0 0 0 0 0 0 0 10.3620 6.2823 -15.6305 H 0 0 0 0 0 0 0 0 0 8.9376 7.2805 -15.4274 H 0 0 0 0 0 0 0 0 0 7.1921 6.0258 -17.6071 H 0 0 0 0 0 0 0 0 0 10.8266 15.8558 -15.3199 H 0 0 0 0 0 0 0 0 0 9.2394 16.5378 -15.3812 H 0 0 0 0 0 0 0 0 0 10.9663 18.0935 -14.5790 H 0 0 0 0 0 0 0 0 0 9.5855 17.9242 -13.5074 H 0 0 0 0 0 0 0 0 0 11.0985 17.1568 -13.0985 H 0 0 0 0 0 0 0 0 0 13.1080 16.6324 -13.8443 H 0 0 0 0 0 0 0 0 0 14.4207 15.6067 -13.3063 H 0 0 0 0 0 0 0 0 0 13.1790 14.9497 -14.3589 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 1 2 1 0 0 0 0 3 44 1 0 0 0 0 3 37 1 0 0 0 0 3 33 1 0 0 0 0 4 8 1 0 0 0 0 4 41 1 0 0 0 0 4 15 1 0 0 0 0 5 33 1 0 0 0 0 6 28 1 0 0 0 0 6 24 1 0 0 0 0 6 29 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 64 1 0 0 0 0 8 65 1 0 0 0 0 9 57 1 0 0 0 0 9 10 1 1 0 0 0 9 55 1 6 0 0 0 10 11 1 0 0 0 0 10 66 1 0 0 0 0 10 67 1 0 0 0 0 11 41 1 6 0 0 0 11 12 1 1 0 0 0 11 68 1 0 0 0 0 12 13 1 0 0 0 0 12 69 1 0 0 0 0 12 70 1 0 0 0 0 13 46 1 1 0 0 0 13 14 1 0 0 0 0 13 36 1 6 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 15 71 1 0 0 0 0 15 72 1 0 0 0 0 16 17 1 0 0 0 0 16 73 1 0 0 0 0 16 74 1 0 0 0 0 17 18 1 0 0 0 0 18 21 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 75 1 0 0 0 0 20 22 1 0 0 0 0 20 76 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 77 1 0 0 0 0 23 78 1 0 0 0 0 24 25 1 0 0 0 0 24 79 1 0 0 0 0 24 80 1 0 0 0 0 25 26 2 0 0 0 0 25 81 1 0 0 0 0 26 27 1 0 0 0 0 26 82 1 0 0 0 0 27 32 1 6 0 0 0 27 28 1 1 0 0 0 27 58 1 0 0 0 0 28 31 1 6 0 0 0 29 30 1 0 0 0 0 29 83 1 0 0 0 0 29 84 1 0 0 0 0 30 31 1 0 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 31 33 1 6 0 0 0 31 34 1 1 0 0 0 32 60 1 6 0 0 0 32 39 1 0 0 0 0 32 87 1 1 0 0 0 33 39 1 6 0 0 0 34 37 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 88 1 0 0 0 0 36 38 2 0 0 0 0 37 40 2 0 0 0 0 38 42 1 0 0 0 0 38 40 1 0 0 0 0 39 50 1 0 0 0 0 39 51 1 6 0 0 0 40 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 43 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 45 2 0 0 0 0 44 95 1 0 0 0 0 46 48 1 0 0 0 0 46 47 2 0 0 0 0 48 49 1 0 0 0 0 49 96 1 0 0 0 0 49 97 1 0 0 0 0 49 98 1 0 0 0 0 50 99 1 0 0 0 0 51 53 1 0 0 0 0 51 52 2 0 0 0 0 53 54 1 0 0 0 0 54100 1 0 0 0 0 54101 1 0 0 0 0 54102 1 0 0 0 0 55 56 1 0 0 0 0 55103 1 0 0 0 0 55104 1 0 0 0 0 56105 1 0 0 0 0 56106 1 0 0 0 0 56107 1 0 0 0 0 57108 1 0 0 0 0 58 59 1 0 0 0 0 58109 1 0 0 0 0 58110 1 0 0 0 0 59111 1 0 0 0 0 59112 1 0 0 0 0 59113 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 61 63 1 0 0 0 0 63114 1 0 0 0 0 63115 1 0 0 0 0 63116 1 0 0 0 0 M END > 67574 > K $$$$ 67580 1016 111283D 67580 55 57 0 1 V2000 -0.2734 -7.7876 1.1357 O 0 0 0 0 0 0 0 0 0 0.2395 -9.3112 -2.5266 O 0 0 0 0 0 0 0 0 0 3.7165 -10.7800 -4.1225 C 0 0 0 0 0 0 0 0 0 2.5803 -10.2423 -3.5264 C 0 0 0 0 0 0 0 0 0 4.8793 -10.9060 -3.3698 C 0 0 0 0 0 0 0 0 0 4.9064 -10.4628 -2.0475 C 0 0 0 0 0 0 0 0 0 2.5861 -9.8214 -2.2022 C 0 0 0 0 0 0 0 0 0 3.7625 -9.9307 -1.4675 C 0 0 0 0 0 0 0 0 0 1.2929 -9.2685 -1.6551 C 0 0 0 0 0 0 0 0 0 1.1777 -8.7728 -0.4140 C 0 0 0 0 0 0 0 0 0 -0.1497 -8.2558 0.0296 C 0 0 0 0 0 0 0 0 0 -1.2874 -8.3422 -0.9346 C 0 0 0 0 0 0 0 0 0 -2.0298 -8.9768 -3.1266 C 0 0 0 0 0 0 0 0 0 -3.3137 -8.5385 -2.8097 C 0 0 0 0 0 0 0 0 0 -1.0111 -8.8760 -2.1857 C 0 0 0 0 0 0 0 0 0 -3.5852 -8.0011 -1.5564 C 0 0 0 0 0 0 0 0 0 -2.5662 -7.9106 -0.6095 C 0 0 0 0 0 0 0 0 0 -4.3151 -8.6363 -3.7287 O 0 0 0 0 0 0 0 0 0 -4.2543 -7.5847 -4.6706 C 0 0 0 0 0 0 0 0 0 -4.8484 -7.5647 -1.2743 O 0 0 0 0 0 0 0 0 0 -5.4825 -8.2824 -0.2318 C 0 0 0 0 0 0 0 0 0 -1.7543 -9.5038 -4.3556 O 0 0 0 0 0 0 0 0 0 -2.4604 -10.6999 -4.6334 C 0 0 0 0 0 0 0 0 0 -2.8002 -7.4073 0.6348 O 0 0 0 0 0 0 0 0 0 -3.1913 -6.0473 0.6302 C 0 0 0 0 0 0 0 0 0 3.7373 -11.1894 -5.4264 O 0 0 0 0 0 0 0 0 0 2.5239 -11.6351 -6.0010 C 0 0 0 0 0 0 0 0 0 5.9872 -11.4661 -3.9369 O 0 0 0 0 0 0 0 0 0 6.3168 -12.7158 -3.3586 C 0 0 0 0 0 0 0 0 0 6.0334 -10.5346 -1.2818 O 0 0 0 0 0 0 0 0 0 7.1566 -9.8812 -1.8519 C 0 0 0 0 0 0 0 0 0 1.6969 -10.1495 -4.0853 H 0 0 0 0 0 0 0 0 0 3.8091 -9.6146 -0.4683 H 0 0 0 0 0 0 0 0 0 1.9886 -8.7384 0.2479 H 0 0 0 0 0 0 0 0 0 -5.0593 -7.7064 -5.3805 H 0 0 0 0 0 0 0 0 0 -4.3764 -6.6310 -4.1747 H 0 0 0 0 0 0 0 0 0 -3.3156 -7.5958 -5.2083 H 0 0 0 0 0 0 0 0 0 -5.6131 -9.3180 -0.5145 H 0 0 0 0 0 0 0 0 0 -4.9273 -8.2350 0.6942 H 0 0 0 0 0 0 0 0 0 -6.4582 -7.8504 -0.0632 H 0 0 0 0 0 0 0 0 0 -2.2081 -11.0268 -5.6315 H 0 0 0 0 0 0 0 0 0 -2.1672 -11.4759 -3.9393 H 0 0 0 0 0 0 0 0 0 -3.5316 -10.5662 -4.5833 H 0 0 0 0 0 0 0 0 0 -3.2653 -5.7115 1.6539 H 0 0 0 0 0 0 0 0 0 -2.4511 -5.4424 0.1254 H 0 0 0 0 0 0 0 0 0 -4.1514 -5.9060 0.1550 H 0 0 0 0 0 0 0 0 0 2.0290 -12.3449 -5.3523 H 0 0 0 0 0 0 0 0 0 1.8664 -10.8025 -6.2051 H 0 0 0 0 0 0 0 0 0 2.7509 -12.1292 -6.9343 H 0 0 0 0 0 0 0 0 0 5.5236 -13.4289 -3.5360 H 0 0 0 0 0 0 0 0 0 7.2188 -13.0847 -3.8241 H 0 0 0 0 0 0 0 0 0 6.4907 -12.6342 -2.2947 H 0 0 0 0 0 0 0 0 0 7.9991 -9.9932 -1.1857 H 0 0 0 0 0 0 0 0 0 7.4377 -10.2899 -2.8110 H 0 0 0 0 0 0 0 0 0 6.9541 -8.8260 -1.9712 H 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 26 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 4 32 1 0 0 0 0 5 28 1 0 0 0 0 5 6 2 0 0 0 0 6 30 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 18 1 0 0 0 0 14 16 2 0 0 0 0 16 20 1 0 0 0 0 16 17 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END > 67580 > K $$$$ 67690 1016 111283D 67690 50 54 0 2 V2000 2.4368 12.4364 -10.6032 C 0 0 0 0 0 0 0 0 0 3.1978 12.2232 -9.4512 C 0 3 0 0 0 0 0 0 0 3.0635 12.6591 -11.8118 C 0 0 0 0 0 0 0 0 0 4.4450 12.6719 -11.8889 C 0 0 0 0 0 0 0 0 0 4.5876 12.2383 -9.5385 C 0 3 0 0 0 0 0 0 0 2.7943 11.9650 -8.0489 C 0 3 0 0 0 0 0 0 0 1.5309 11.8584 -7.4610 C 0 0 0 0 0 0 0 0 0 1.4164 11.6101 -6.1103 C 0 0 0 0 0 0 0 0 0 3.9327 11.8187 -7.2590 C 0 3 0 0 0 0 0 0 0 2.5560 11.4650 -5.3273 C 0 0 0 0 0 0 0 0 0 5.2056 12.4611 -10.7523 C 0 0 0 0 0 0 0 0 0 5.1320 11.9832 -8.1567 C 0 3 0 0 0 0 0 0 0 3.8151 11.5701 -5.9080 C 0 0 0 0 0 0 0 0 0 3.2009 11.4984 -1.6515 C 0 0 0 0 0 0 0 0 0 4.3739 11.5764 -0.8790 C 0 0 0 0 0 0 0 0 0 2.0112 11.0795 -1.0566 C 0 0 0 0 0 0 0 0 0 5.6446 12.0197 -1.4965 C 0 0 0 0 0 0 0 0 0 6.1412 13.2948 -1.2380 C 0 0 0 0 0 0 0 0 0 7.3264 13.7044 -1.8161 C 0 0 0 0 0 0 0 0 0 8.0289 12.8543 -2.6544 C 0 0 0 0 0 0 0 0 0 6.3602 11.1536 -2.3434 C 0 0 0 0 0 0 0 0 0 4.3330 11.2345 0.4705 C 0 0 0 0 0 0 0 0 0 1.9904 10.7448 0.2822 C 0 0 0 0 0 0 0 0 0 7.5530 11.5870 -2.9227 C 0 0 0 0 0 0 0 0 0 3.1459 10.8215 1.0422 C 0 0 0 0 0 0 0 0 0 2.4363 11.2136 -3.9586 N 0 0 0 0 0 0 0 0 0 3.2276 11.8635 -3.0820 C 0 0 0 0 0 0 0 0 0 3.9633 12.7504 -3.4694 O 0 0 0 0 0 0 0 0 0 5.8499 9.7972 -2.6217 C 0 0 0 0 0 0 0 0 0 4.8079 9.4253 -2.1190 O 0 0 0 0 0 0 0 0 0 6.5389 8.9714 -3.4335 O 0 0 0 0 0 0 0 0 0 1.3587 12.4225 -10.5485 H 0 0 0 0 0 0 0 0 0 2.4738 12.8238 -12.7011 H 0 0 0 0 0 0 0 0 0 4.9302 12.8464 -12.8374 H 0 0 0 0 0 0 0 0 0 0.6435 11.9708 -8.0655 H 0 0 0 0 0 0 0 0 0 0.4390 11.5287 -5.6590 H 0 0 0 0 0 0 0 0 0 6.2833 12.4707 -10.8149 H 0 0 0 0 0 0 0 0 0 5.7330 11.0866 -8.1490 H 0 0 0 0 0 0 0 0 0 5.7344 12.8171 -7.8301 H 0 0 0 0 0 0 0 0 0 4.7007 11.4579 -5.3010 H 0 0 0 0 0 0 0 0 0 1.1065 11.0173 -1.6426 H 0 0 0 0 0 0 0 0 0 5.5995 13.9635 -0.5860 H 0 0 0 0 0 0 0 0 0 7.7080 14.6938 -1.6135 H 0 0 0 0 0 0 0 0 0 8.9544 13.1854 -3.1011 H 0 0 0 0 0 0 0 0 0 5.2293 11.2920 1.0696 H 0 0 0 0 0 0 0 0 0 1.0678 10.4210 0.7400 H 0 0 0 0 0 0 0 0 0 8.1060 10.9300 -3.5772 H 0 0 0 0 0 0 0 0 0 3.1182 10.5569 2.0886 H 0 0 0 0 0 0 0 0 0 1.7837 10.5711 -3.6384 H 0 0 0 0 0 0 0 0 0 6.2041 8.0828 -3.6156 H 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 1 3 4 0 0 0 0 1 32 1 0 0 0 0 2 6 4 0 0 0 0 2 5 4 0 0 0 0 3 4 4 0 0 0 0 3 33 1 0 0 0 0 4 11 4 0 0 0 0 4 34 1 0 0 0 0 5 12 4 0 0 0 0 5 11 4 0 0 0 0 6 9 4 0 0 0 0 6 7 4 0 0 0 0 7 8 4 0 0 0 0 7 35 1 0 0 0 0 8 10 4 0 0 0 0 8 36 1 0 0 0 0 9 12 4 0 0 0 0 9 13 4 0 0 0 0 10 26 1 0 0 0 0 10 13 4 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 14 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 22 2 0 0 0 0 16 23 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 24 2 0 0 0 0 20 44 1 0 0 0 0 21 29 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 29 31 1 0 0 0 0 29 30 2 0 0 0 0 31 50 1 0 0 0 0 M CHG 5 2 1 5 1 6 1 9 1 12 1 M END > 67690 > K $$$$ 68075 1016 111283D 68075 99105 1 1 V2000 2.9290 6.0569 20.2538 H 0 0 0 0 0 0 0 0 0 4.3052 7.6026 20.2523 N 0 0 0 0 0 0 0 0 0 -0.0217 8.1166 23.2254 O 0 0 0 0 0 0 0 0 0 4.7065 10.4116 25.7585 H 0 0 0 0 0 0 0 0 0 5.1668 10.3773 27.7804 N 0 0 0 0 0 0 0 0 0 4.1523 8.5734 18.0345 C 0 0 0 0 0 0 0 0 0 2.7004 8.1905 17.9884 C 0 0 0 0 0 0 0 0 0 4.9280 7.6143 18.9315 C 0 0 0 0 0 0 0 0 0 1.9354 8.5304 16.8800 C 0 0 0 0 0 0 0 0 0 0.5919 8.1734 16.7948 C 0 0 0 0 0 0 0 0 0 2.1176 7.5011 19.0452 C 0 0 0 0 0 0 0 0 0 0.0116 7.4674 17.8465 C 0 0 0 0 0 0 0 0 0 0.7794 7.1387 18.9594 C 0 0 0 0 0 0 0 0 0 2.9121 7.1354 20.2781 C 0 0 2 0 0 0 0 0 0 2.8637 14.7081 26.4610 C 0 0 0 0 0 0 0 0 0 3.9522 14.3713 27.2603 C 0 0 0 0 0 0 0 0 0 2.2162 13.7076 25.7378 C 0 0 0 0 0 0 0 0 0 4.3954 13.0580 27.3415 C 0 0 0 0 0 0 0 0 0 2.6525 12.3885 25.8216 C 0 0 0 0 0 0 0 0 0 5.5770 12.7314 28.2115 C 0 0 0 0 0 0 0 0 0 3.7434 12.0625 26.6231 C 0 0 0 0 0 0 0 0 0 1.9729 11.2708 25.0687 C 0 0 0 0 0 0 0 0 0 1.2384 11.4747 23.9062 C 0 0 0 0 0 0 0 0 0 0.5884 10.4192 23.2748 C 0 0 0 0 0 0 0 0 0 6.2110 11.3983 27.8263 C 0 0 0 0 0 0 0 0 0 4.2089 10.6237 26.6963 C 0 0 2 0 0 0 0 0 0 2.0988 9.9822 25.5731 C 0 0 0 0 0 0 0 0 0 0.6609 9.1407 23.8198 C 0 0 0 0 0 0 0 0 0 2.9651 9.7309 26.7783 C 0 0 0 0 0 0 0 0 0 1.4253 8.9334 24.9649 C 0 0 0 0 0 0 0 0 0 1.6913 6.6157 22.5169 C 0 0 0 0 0 0 0 0 0 0.5825 6.9013 23.3085 C 0 0 0 0 0 0 0 0 0 2.2871 5.3659 22.6401 C 0 0 0 0 0 0 0 0 0 1.7832 4.4072 23.5107 C 0 0 0 0 0 0 0 0 0 0.0795 5.9547 24.1904 C 0 0 0 0 0 0 0 0 0 0.6737 4.7055 24.3006 C 0 0 0 0 0 0 0 0 0 -0.1968 8.4830 15.7197 O 0 0 0 0 0 0 0 0 0 0.3012 9.3596 14.7277 C 0 0 0 0 0 0 0 0 0 -1.3046 7.1067 17.7611 O 0 0 0 0 0 0 0 0 0 -2.0501 7.0919 18.9651 C 0 0 0 0 0 0 0 0 0 2.3868 3.1855 23.5734 O 0 0 0 0 0 0 0 0 0 3.7629 3.2171 23.9010 C 0 0 0 0 0 0 0 0 0 0.1294 3.8313 25.1959 O 0 0 0 0 0 0 0 0 0 -0.0855 2.5237 24.6966 C 0 0 0 0 0 0 0 0 0 2.2194 7.6581 21.5556 C 0 0 0 0 0 0 0 0 0 -0.1128 10.6299 22.1230 O 0 0 0 0 0 0 0 0 0 -1.0882 11.6532 22.1938 C 0 0 0 0 0 0 0 0 0 5.1820 7.0120 21.2623 C 0 0 0 0 0 0 0 0 0 1.1493 14.0061 24.9412 O 0 0 0 0 0 0 0 0 0 0.0373 14.5248 25.6450 C 0 0 0 0 0 0 0 0 0 2.3862 15.9849 26.3410 O 0 0 0 0 0 0 0 0 0 2.9273 17.0080 27.1526 C 0 0 0 0 0 0 0 0 0 5.7435 9.0336 27.7951 C 0 0 0 0 0 0 0 0 0 4.5771 8.5512 17.0413 H 0 0 0 0 0 0 0 0 0 4.2353 9.5749 18.4317 H 0 0 0 0 0 0 0 0 0 5.9508 7.9601 18.9886 H 0 0 0 0 0 0 0 0 0 4.9166 6.6207 18.5045 H 0 0 0 0 0 0 0 0 0 2.3880 9.0634 16.0988 H 0 0 0 0 0 0 0 0 0 0.3437 6.6065 19.7512 H 0 0 0 0 0 0 0 0 0 4.4526 15.1107 27.8115 H 0 0 0 0 0 0 0 0 0 6.3237 13.5090 28.1401 H 0 0 0 0 0 0 0 0 0 5.2341 12.6642 29.2337 H 0 0 0 0 0 0 0 0 0 1.1729 12.4340 23.4896 H 0 0 0 0 0 0 0 0 0 6.9593 11.1562 28.5680 H 0 0 0 0 0 0 0 0 0 6.6935 11.4831 26.8617 H 0 0 0 0 0 0 0 0 0 3.2536 8.6913 26.7920 H 0 0 0 0 0 0 0 0 0 2.4114 9.9553 27.6792 H 0 0 0 0 0 0 0 0 0 1.4976 7.9728 25.3803 H 0 0 0 0 0 0 0 0 0 3.1320 5.1254 22.0700 H 0 0 0 0 0 0 0 0 0 -0.7572 6.1864 24.7795 H 0 0 0 0 0 0 0 0 0 1.1189 8.8979 14.1933 H 0 0 0 0 0 0 0 0 0 -0.4925 9.5702 14.0261 H 0 0 0 0 0 0 0 0 0 0.6256 10.2935 15.1654 H 0 0 0 0 0 0 0 0 0 -1.8448 7.9688 19.5649 H 0 0 0 0 0 0 0 0 0 -3.1018 7.0894 18.7191 H 0 0 0 0 0 0 0 0 0 -1.8308 6.2013 19.5352 H 0 0 0 0 0 0 0 0 0 4.3531 3.6285 23.0954 H 0 0 0 0 0 0 0 0 0 3.9257 3.7937 24.8014 H 0 0 0 0 0 0 0 0 0 4.0930 2.2044 24.0799 H 0 0 0 0 0 0 0 0 0 -0.6622 1.9705 25.4228 H 0 0 0 0 0 0 0 0 0 -0.6467 2.5553 23.7723 H 0 0 0 0 0 0 0 0 0 0.8424 1.9965 24.5355 H 0 0 0 0 0 0 0 0 0 2.9122 8.2787 22.1046 H 0 0 0 0 0 0 0 0 0 1.4039 8.3112 21.2772 H 0 0 0 0 0 0 0 0 0 -1.6347 11.6685 21.2623 H 0 0 0 0 0 0 0 0 0 -1.7853 11.4494 22.9950 H 0 0 0 0 0 0 0 0 0 -0.6459 12.6276 22.3407 H 0 0 0 0 0 0 0 0 0 6.1376 7.5172 21.2614 H 0 0 0 0 0 0 0 0 0 4.7604 7.1105 22.2514 H 0 0 0 0 0 0 0 0 0 5.3394 5.9638 21.0519 H 0 0 0 0 0 0 0 0 0 0.2516 15.4860 26.0881 H 0 0 0 0 0 0 0 0 0 -0.7784 14.6492 24.9485 H 0 0 0 0 0 0 0 0 0 -0.2737 13.8345 26.4170 H 0 0 0 0 0 0 0 0 0 2.8430 16.7514 28.1995 H 0 0 0 0 0 0 0 0 0 3.9618 17.1829 26.8938 H 0 0 0 0 0 0 0 0 0 2.3693 17.9164 26.9771 H 0 0 0 0 0 0 0 0 0 6.4711 8.9477 28.5894 H 0 0 0 0 0 0 0 0 0 4.9810 8.2914 27.9774 H 0 0 0 0 0 0 0 0 0 6.2293 8.8210 26.8529 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 8 1 0 0 0 0 2 48 1 0 0 0 0 3 28 1 0 0 0 0 3 32 1 0 0 0 0 4 26 1 0 0 0 0 5 26 1 0 0 0 0 5 25 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 54 1 0 0 0 0 6 55 1 0 0 0 0 7 11 1 0 0 0 0 7 9 2 0 0 0 0 8 56 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 58 1 0 0 0 0 10 37 1 0 0 0 0 10 12 2 0 0 0 0 11 14 1 0 0 0 0 11 13 2 0 0 0 0 12 39 1 0 0 0 0 12 13 1 0 0 0 0 13 59 1 0 0 0 0 14 45 1 6 0 0 0 15 51 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 16 60 1 0 0 0 0 17 49 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 21 1 0 0 0 0 20 25 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 24 46 1 0 0 0 0 24 28 2 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 29 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 30 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 31 45 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 33 34 2 0 0 0 0 33 69 1 0 0 0 0 34 41 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 35 70 1 0 0 0 0 36 43 1 0 0 0 0 37 38 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 40 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 42 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 44 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 46 47 1 0 0 0 0 47 85 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0 48 88 1 0 0 0 0 48 89 1 0 0 0 0 48 90 1 0 0 0 0 49 50 1 0 0 0 0 50 91 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 51 52 1 0 0 0 0 52 94 1 0 0 0 0 52 95 1 0 0 0 0 52 96 1 0 0 0 0 53 97 1 0 0 0 0 53 98 1 0 0 0 0 53 99 1 0 0 0 0 M END > 68075 > K $$$$ 69187 1016 111283D 69187 37 40 0 1 V2000 -0.0057 1.2826 0.4320 N 0 0 0 0 0 0 0 0 0 4.8100 -2.8084 -0.0587 N 0 0 0 0 0 0 0 0 0 5.7426 -2.5469 -0.1033 H 0 0 0 0 0 0 0 0 0 3.6734 -0.5887 0.0421 C 0 0 0 0 0 0 0 0 0 3.7095 -1.9752 0.0081 C 0 0 0 0 0 0 0 0 0 2.4269 0.0270 0.1688 C 0 0 0 0 0 0 0 0 0 2.3442 1.4138 0.2706 C 0 0 0 0 0 0 0 0 0 1.1116 2.0344 0.3956 C 0 0 0 0 0 0 0 0 0 2.5551 -2.7405 0.0401 C 0 0 0 0 0 0 0 0 0 1.2531 -0.7389 0.1939 C 0 0 0 0 0 0 0 0 0 1.3026 -2.1326 0.0706 C 0 0 0 0 0 0 0 0 0 2.9509 -4.0734 0.0314 C 0 0 0 0 0 0 0 0 0 5.0424 -5.2854 -0.1034 C 0 0 0 0 0 0 0 0 0 4.3305 -6.4783 -0.0623 C 0 0 0 0 0 0 0 0 0 4.3318 -4.0976 -0.0480 C 0 0 0 0 0 0 0 0 0 2.9384 -6.4784 0.0372 C 0 0 0 0 0 0 0 0 0 2.2478 -5.2715 0.0889 C 0 0 0 0 0 0 0 0 0 0.0421 -0.0651 0.3460 C 0 0 0 0 0 0 0 0 0 4.9635 0.1865 -0.0552 C 0 0 0 0 0 0 0 0 0 0.0625 -2.9872 -0.0336 C 0 0 0 0 0 0 0 0 0 2.1694 -7.6059 0.0902 O 0 0 0 0 0 0 0 0 0 2.8027 -8.8649 -0.0330 C 0 0 0 0 0 0 0 0 0 3.2045 2.0136 0.2558 H 0 0 0 0 0 0 0 0 0 1.0462 3.0807 0.4623 H 0 0 0 0 0 0 0 0 0 6.0897 -5.2804 -0.1748 H 0 0 0 0 0 0 0 0 0 4.8592 -7.3826 -0.1072 H 0 0 0 0 0 0 0 0 0 1.2047 -5.2961 0.1721 H 0 0 0 0 0 0 0 0 0 -0.8678 -0.5810 0.4000 H 0 0 0 0 0 0 0 0 0 5.2451 0.5382 0.9263 H 0 0 0 0 0 0 0 0 0 5.7588 -0.4271 -0.4494 H 0 0 0 0 0 0 0 0 0 4.8493 1.0279 -0.7224 H 0 0 0 0 0 0 0 0 0 -0.1416 -3.4561 0.9177 H 0 0 0 0 0 0 0 0 0 -0.8055 -2.4345 -0.3528 H 0 0 0 0 0 0 0 0 0 0.2129 -3.7403 -0.7917 H 0 0 0 0 0 0 0 0 0 2.0462 -9.6358 -0.0314 H 0 0 0 0 0 0 0 0 0 3.3514 -8.9283 -0.9621 H 0 0 0 0 0 0 0 0 0 3.4689 -9.0373 0.8009 H 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 2 3 1 0 0 0 0 4 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 11 1 0 0 0 0 10 18 1 0 0 0 0 10 11 2 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 21 1 0 0 0 0 16 17 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END > 69187 > K $$$$ 69852 1016 111283D 69852 40 39 0 1 V2000 -7.5735 -11.3149 2.3189 N 0 0 0 0 0 0 0 0 0 -6.3073 -10.7138 2.7066 C 0 0 0 0 0 0 0 0 0 -5.9759 -11.0775 4.1536 C 0 0 0 0 0 0 0 0 0 -4.6708 -10.4279 4.6131 C 0 0 0 0 0 0 0 0 0 -3.5567 -10.8735 3.7864 N 0 0 0 0 0 0 0 0 0 -2.3115 -10.1580 4.0303 C 0 0 0 0 0 0 0 0 0 -1.2541 -10.6206 3.0275 C 0 0 0 0 0 0 0 0 0 0.0612 -9.8435 3.1297 C 0 0 0 0 0 0 0 0 0 0.7557 -10.0126 4.4813 C 0 0 0 0 0 0 0 0 0 2.0619 -9.3672 4.4404 N 0 0 0 0 0 0 0 0 0 2.7425 -9.2143 5.7207 C 0 0 0 0 0 0 0 0 0 3.2227 -10.5540 6.2826 C 0 0 0 0 0 0 0 0 0 3.9667 -10.3735 7.6052 C 0 0 0 0 0 0 0 0 0 4.3998 -11.6658 8.1122 N 0 0 0 0 0 0 0 0 0 -8.3310 -10.9795 2.8806 H 0 0 0 0 0 0 0 0 0 -7.7675 -11.1535 1.3505 H 0 0 0 0 0 0 0 0 0 -5.5234 -11.0821 2.0590 H 0 0 0 0 0 0 0 0 0 -6.3684 -9.6388 2.6057 H 0 0 0 0 0 0 0 0 0 -6.7776 -10.7397 4.7945 H 0 0 0 0 0 0 0 0 0 -5.8920 -12.1516 4.2384 H 0 0 0 0 0 0 0 0 0 -4.7756 -9.3536 4.5460 H 0 0 0 0 0 0 0 0 0 -4.4884 -10.6947 5.6451 H 0 0 0 0 0 0 0 0 0 -3.4294 -11.8651 3.8570 H 0 0 0 0 0 0 0 0 0 -2.4711 -9.0953 3.9069 H 0 0 0 0 0 0 0 0 0 -1.9732 -10.3514 5.0390 H 0 0 0 0 0 0 0 0 0 -1.0591 -11.6734 3.1769 H 0 0 0 0 0 0 0 0 0 -1.6510 -10.4849 2.0311 H 0 0 0 0 0 0 0 0 0 0.7232 -10.2056 2.3557 H 0 0 0 0 0 0 0 0 0 -0.1242 -8.7925 2.9567 H 0 0 0 0 0 0 0 0 0 0.1491 -9.5565 5.2514 H 0 0 0 0 0 0 0 0 0 0.8715 -11.0659 4.6968 H 0 0 0 0 0 0 0 0 0 2.6609 -9.7782 3.7501 H 0 0 0 0 0 0 0 0 0 3.5988 -8.5709 5.5736 H 0 0 0 0 0 0 0 0 0 2.0797 -8.7375 6.4297 H 0 0 0 0 0 0 0 0 0 2.3724 -11.2000 6.4450 H 0 0 0 0 0 0 0 0 0 3.8848 -11.0208 5.5674 H 0 0 0 0 0 0 0 0 0 4.8330 -9.7466 7.4438 H 0 0 0 0 0 0 0 0 0 3.3177 -9.8981 8.3282 H 0 0 0 0 0 0 0 0 0 4.9511 -11.5634 8.9412 H 0 0 0 0 0 0 0 0 0 3.6260 -12.2758 8.2886 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 M END > 69852 > K $$$$ 70422 1016 111283D 70422 32 34 1 1 V2000 2.0212 0.6298 0.9088 C 0 0 1 0 0 0 0 0 0 0.6099 1.1853 1.1256 C 0 0 1 0 0 0 0 0 0 0.4605 2.1473 -0.0516 C 0 0 1 0 0 0 0 0 0 2.5768 1.3017 -0.2043 O 0 0 0 0 0 0 0 0 0 1.4824 1.5952 -1.0435 C 0 0 1 0 0 0 0 0 0 1.1406 0.3799 -1.7292 N 0 0 0 0 0 0 0 0 0 -0.0587 -0.2451 -1.7769 C 0 0 0 0 0 0 0 0 0 0.0138 -1.3696 -2.5264 N 0 0 0 0 0 0 0 0 0 1.2930 -1.4321 -2.9462 C 0 0 0 0 0 0 0 0 0 1.9935 -0.3517 -2.4574 C 0 0 0 0 0 0 0 0 0 3.3017 -0.1573 -2.7234 N 0 0 0 0 0 0 0 0 0 1.9609 -2.3539 -3.7386 C 0 0 0 0 0 0 0 0 0 3.2758 -2.1434 -3.9896 N 0 0 0 0 0 0 0 0 0 3.9427 -1.0674 -3.4966 C 0 0 0 0 0 0 0 0 0 2.3167 0.1926 3.2371 O 0 0 0 0 0 0 0 0 0 -0.3683 0.1642 1.1023 O 0 0 0 0 0 0 0 0 0 2.9258 0.8089 2.1226 C 0 0 0 0 0 0 0 0 0 -0.8445 2.2884 -0.5807 O 0 0 0 0 0 0 0 0 0 1.3552 -3.4461 -4.2664 N 0 0 0 0 0 0 0 0 0 1.9409 -0.4260 0.6892 H 0 0 0 0 0 0 0 0 0 0.5305 1.7457 2.0472 H 0 0 0 0 0 0 0 0 0 0.8264 3.1153 0.2597 H 0 0 0 0 0 0 0 0 0 1.7348 2.3560 -1.7693 H 0 0 0 0 0 0 0 0 0 -0.9340 0.0901 -1.2986 H 0 0 0 0 0 0 0 0 0 4.9623 -0.9401 -3.7166 H 0 0 0 0 0 0 0 0 0 2.9206 0.2175 3.9736 H 0 0 0 0 0 0 0 0 0 -0.2341 -0.4073 1.8537 H 0 0 0 0 0 0 0 0 0 3.8847 0.3588 1.9050 H 0 0 0 0 0 0 0 0 0 3.0695 1.8647 2.3063 H 0 0 0 0 0 0 0 0 0 -1.4615 2.3850 0.1380 H 0 0 0 0 0 0 0 0 0 1.8677 -4.0614 -4.8131 H 0 0 0 0 0 0 0 0 0 0.4143 -3.6143 -4.1000 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 17 1 1 0 0 0 1 20 1 6 0 0 0 2 16 1 6 0 0 0 2 3 1 0 0 0 0 2 21 1 1 0 0 0 3 18 1 6 0 0 0 3 5 1 0 0 0 0 3 22 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 23 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 14 2 0 0 0 0 12 19 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 70422 > K $$$$ 70845 1016 111283D 70845 105111 1 1 V2000 -1.0160 11.3715 5.8762 O 0 0 0 0 0 0 0 0 0 -2.0340 10.5441 4.3342 H 0 0 0 0 0 0 0 0 0 -0.8217 9.1702 5.1846 O 0 0 0 0 0 0 0 0 0 1.8600 5.6768 9.1767 O 0 0 0 0 0 0 0 0 0 -1.0876 6.7726 4.9167 O 0 0 0 0 0 0 0 0 0 -0.1194 -1.2288 9.3655 O 0 0 0 0 0 0 0 0 0 0.0022 1.0070 9.0681 O 0 0 0 0 0 0 0 0 0 -0.0447 10.9145 3.6706 C 0 0 1 0 0 0 0 0 0 1.3820 10.9802 4.2383 C 0 0 1 0 0 0 0 0 0 -1.0436 10.5012 4.7639 C 0 0 2 0 0 0 0 0 0 1.3163 11.9132 5.4640 C 0 0 2 0 0 0 0 0 0 0.2627 11.4219 6.4762 C 0 0 2 0 0 0 0 0 0 0.5516 10.0282 6.9716 C 0 0 0 0 0 0 0 0 0 -1.4347 1.7304 5.2059 C 0 0 2 0 0 0 0 0 0 -0.7548 2.7918 6.0420 C 0 0 0 0 0 0 0 0 0 -1.0246 0.2941 5.5615 C 0 0 1 0 0 0 0 0 0 -0.8921 4.1183 5.6499 C 0 0 0 0 0 0 0 0 0 -0.2714 5.1344 6.3582 C 0 0 0 0 0 0 0 0 0 -0.4380 6.5530 5.9110 C 0 0 0 0 0 0 0 0 0 0.1953 7.6684 6.6913 C 0 0 0 0 0 0 0 0 0 -0.0284 8.9747 6.2760 C 0 0 0 0 0 0 0 0 0 -0.0086 2.4832 7.1807 C 0 0 0 0 0 0 0 0 0 0.4981 4.8327 7.4713 C 0 0 0 0 0 0 0 0 0 0.9856 7.3919 7.8046 C 0 0 0 0 0 0 0 0 0 1.3588 9.7595 8.0693 C 0 0 0 0 0 0 0 0 0 -1.0072 0.1606 7.0832 C 0 0 0 0 0 0 0 0 0 0.6382 3.5088 7.8749 C 0 0 0 0 0 0 0 0 0 0.0998 1.0499 7.6551 C 0 0 2 0 0 0 0 0 0 1.1696 5.9507 8.2256 C 0 0 0 0 0 0 0 0 0 1.5776 8.4548 8.4897 C 0 0 0 0 0 0 0 0 0 0.6679 -0.0907 9.6676 C 0 0 1 0 0 0 0 0 0 0.7791 0.1065 11.1849 C 0 0 1 0 0 0 0 0 0 1.4141 -1.1780 11.7446 C 0 0 1 0 0 0 0 0 0 0.4023 -2.4371 9.8881 C 0 0 1 0 0 0 0 0 0 0.4756 -2.3492 11.4143 C 0 0 1 0 0 0 0 0 0 2.0390 9.6873 4.5204 N 0 0 0 0 0 0 0 0 0 1.8960 8.6636 3.4838 C 0 0 0 0 0 0 0 0 0 3.4384 9.7830 4.9426 C 0 0 0 0 0 0 0 0 0 1.0014 13.2434 5.0982 O 0 0 0 0 0 0 0 0 0 -0.3272 12.1764 3.0942 O 0 0 0 0 0 0 0 0 0 0.1065 12.4459 7.6012 C 0 0 0 0 0 0 0 0 0 2.3852 8.3519 9.5793 O 0 0 0 0 0 0 0 0 0 0.9545 -3.5747 11.9477 O 0 0 0 0 0 0 0 0 0 0.0279 -4.2655 12.7622 C 0 0 0 0 0 0 0 0 0 2.6479 -1.4781 11.1006 O 0 0 0 0 0 0 0 0 0 3.7501 -0.6254 11.3512 C 0 0 0 0 0 0 0 0 0 1.4256 3.2978 8.9625 O 0 0 0 0 0 0 0 0 0 1.5517 -1.0962 13.2680 C 0 0 0 0 0 0 0 0 0 -0.5207 -3.5680 9.4459 C 0 0 0 0 0 0 0 0 0 1.5723 1.2355 11.5249 O 0 0 0 0 0 0 0 0 0 0.8469 2.4461 11.6372 C 0 0 0 0 0 0 0 0 0 -1.2119 2.0233 3.7471 C 0 0 0 0 0 0 0 0 0 -0.2719 1.5588 3.1466 O 0 0 0 0 0 0 0 0 0 -2.1006 2.8381 3.1147 O 0 0 0 0 0 0 0 0 0 -1.7986 3.0427 1.7487 C 0 0 0 0 0 0 0 0 0 -1.9912 -0.7267 4.9507 C 0 0 0 0 0 0 0 0 0 0.2877 0.0536 5.1030 O 0 0 0 0 0 0 0 0 0 -0.0994 10.1875 2.8755 H 0 0 0 0 0 0 0 0 0 1.9784 11.4693 3.4815 H 0 0 0 0 0 0 0 0 0 2.2775 11.9518 5.9511 H 0 0 0 0 0 0 0 0 0 -2.4945 1.8308 5.3883 H 0 0 0 0 0 0 0 0 0 -1.4709 4.3655 4.8073 H 0 0 0 0 0 0 0 0 0 1.8144 10.5424 8.5992 H 0 0 0 0 0 0 0 0 0 -1.9597 0.4511 7.5028 H 0 0 0 0 0 0 0 0 0 -0.8117 -0.8689 7.3395 H 0 0 0 0 0 0 0 0 0 1.0568 0.6813 7.3086 H 0 0 0 0 0 0 0 0 0 1.6741 -0.1938 9.2798 H 0 0 0 0 0 0 0 0 0 -0.2209 0.2063 11.5828 H 0 0 0 0 0 0 0 0 0 1.3908 -2.6348 9.4944 H 0 0 0 0 0 0 0 0 0 -0.5150 -2.1122 11.7798 H 0 0 0 0 0 0 0 0 0 0.8611 8.3766 3.3711 H 0 0 0 0 0 0 0 0 0 2.2727 9.0322 2.5397 H 0 0 0 0 0 0 0 0 0 2.4395 7.7673 3.7478 H 0 0 0 0 0 0 0 0 0 3.8596 8.8000 5.1003 H 0 0 0 0 0 0 0 0 0 4.0227 10.2910 4.1879 H 0 0 0 0 0 0 0 0 0 3.5324 10.3126 5.8777 H 0 0 0 0 0 0 0 0 0 1.5210 13.5138 4.3486 H 0 0 0 0 0 0 0 0 0 -1.2364 12.2080 2.8158 H 0 0 0 0 0 0 0 0 0 -0.6338 12.1009 8.3078 H 0 0 0 0 0 0 0 0 0 1.0456 12.6085 8.1087 H 0 0 0 0 0 0 0 0 0 -0.2287 13.3829 7.1802 H 0 0 0 0 0 0 0 0 0 2.5760 7.4551 9.8216 H 0 0 0 0 0 0 0 0 0 -0.2196 -3.6782 13.6352 H 0 0 0 0 0 0 0 0 0 -0.8741 -4.4923 12.2114 H 0 0 0 0 0 0 0 0 0 0.4766 -5.1933 13.0861 H 0 0 0 0 0 0 0 0 0 4.5979 -1.0013 10.7976 H 0 0 0 0 0 0 0 0 0 3.5539 0.3842 11.0224 H 0 0 0 0 0 0 0 0 0 4.0118 -0.6218 12.3989 H 0 0 0 0 0 0 0 0 0 1.6272 2.3808 9.0934 H 0 0 0 0 0 0 0 0 0 2.1223 -0.2221 13.5446 H 0 0 0 0 0 0 0 0 0 0.5781 -1.0333 13.7317 H 0 0 0 0 0 0 0 0 0 2.0606 -1.9788 13.6274 H 0 0 0 0 0 0 0 0 0 -0.5788 -3.5798 8.3677 H 0 0 0 0 0 0 0 0 0 -0.1307 -4.5150 9.7902 H 0 0 0 0 0 0 0 0 0 -1.5098 -3.4153 9.8519 H 0 0 0 0 0 0 0 0 0 1.5381 3.2742 11.5705 H 0 0 0 0 0 0 0 0 0 0.1091 2.5544 10.8545 H 0 0 0 0 0 0 0 0 0 0.3522 2.4866 12.5968 H 0 0 0 0 0 0 0 0 0 -0.7934 3.4226 1.6279 H 0 0 0 0 0 0 0 0 0 -1.9007 2.1181 1.1972 H 0 0 0 0 0 0 0 0 0 -2.4909 3.7658 1.3426 H 0 0 0 0 0 0 0 0 0 -1.6827 -1.7275 5.2162 H 0 0 0 0 0 0 0 0 0 -2.9934 -0.5617 5.3199 H 0 0 0 0 0 0 0 0 0 -1.9898 -0.6390 3.8742 H 0 0 0 0 0 0 0 0 0 0.5328 -0.8557 5.2495 H 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 4 29 2 0 0 0 0 5 19 2 0 0 0 0 6 31 1 0 0 0 0 6 34 1 0 0 0 0 7 28 1 0 0 0 0 7 31 1 0 0 0 0 8 40 1 0 0 0 0 8 10 1 1 0 0 0 8 9 1 0 0 0 0 8 58 1 6 0 0 0 9 36 1 0 0 0 0 9 11 1 1 0 0 0 9 59 1 6 0 0 0 11 39 1 6 0 0 0 11 12 1 1 0 0 0 11 60 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 1 0 0 0 13 21 2 0 0 0 0 13 25 1 0 0 0 0 14 52 1 6 0 0 0 14 16 1 0 0 0 0 14 15 1 1 0 0 0 14 61 1 0 0 0 0 15 22 1 0 0 0 0 15 17 2 0 0 0 0 16 57 1 6 0 0 0 16 26 1 1 0 0 0 16 56 1 0 0 0 0 17 18 1 0 0 0 0 17 62 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 22 28 1 0 0 0 0 22 27 2 0 0 0 0 23 29 1 0 0 0 0 23 27 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 25 30 2 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 47 1 0 0 0 0 28 66 1 6 0 0 0 30 42 1 0 0 0 0 31 32 1 1 0 0 0 31 67 1 6 0 0 0 32 50 1 0 0 0 0 32 33 1 1 0 0 0 32 68 1 0 0 0 0 33 45 1 6 0 0 0 33 35 1 0 0 0 0 33 48 1 1 0 0 0 34 35 1 1 0 0 0 34 49 1 0 0 0 0 34 69 1 6 0 0 0 35 43 1 0 0 0 0 35 70 1 1 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 82 1 0 0 0 0 43 44 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 45 46 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 47 89 1 0 0 0 0 48 90 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 49 93 1 0 0 0 0 49 94 1 0 0 0 0 49 95 1 0 0 0 0 50 51 1 0 0 0 0 51 96 1 0 0 0 0 51 97 1 0 0 0 0 51 98 1 0 0 0 0 52 54 1 0 0 0 0 52 53 2 0 0 0 0 54 55 1 0 0 0 0 55 99 1 0 0 0 0 55100 1 0 0 0 0 55101 1 0 0 0 0 56102 1 0 0 0 0 56103 1 0 0 0 0 56104 1 0 0 0 0 57105 1 0 0 0 0 M END > 70845 > K $$$$ 70929 1016 111283D 70929 104111 1 1 V2000 -3.0668 -4.5617 1.2549 O 0 0 0 0 0 0 0 0 0 -1.2380 -1.4253 -9.1736 O 0 0 0 0 0 0 0 0 0 -1.0795 1.3004 2.5558 O 0 0 0 0 0 0 0 0 0 -0.9080 -2.1148 -2.8274 O 0 0 0 0 0 0 0 0 0 1.7812 -2.4301 -7.6815 O 0 0 0 0 0 0 0 0 0 0.6195 -1.0870 -4.4633 O 0 0 0 0 0 0 0 0 0 -0.9686 2.2688 0.1392 O 0 0 0 0 0 0 0 0 0 2.9165 1.9539 -5.7038 O 0 0 0 0 0 0 0 0 0 1.2523 -2.4856 -6.3786 C 0 0 1 0 0 0 0 0 0 1.3528 -1.1992 -5.6104 C 0 0 0 0 0 0 0 0 0 0.3725 -2.5124 -7.6231 C 0 0 1 0 0 0 0 0 0 -0.2750 -1.2392 -8.1609 C 0 0 1 0 0 0 0 0 0 -0.0245 -0.8648 -9.6165 C 0 0 1 0 0 0 0 0 0 2.1445 -0.2227 -6.0718 C 0 0 0 0 0 0 0 0 0 2.2206 1.0514 -5.3040 C 0 0 0 0 0 0 0 0 0 1.4143 1.1573 -4.0459 C 0 0 0 0 0 0 0 0 0 1.4071 2.2988 -3.2487 C 0 0 0 0 0 0 0 0 0 0.6556 0.0441 -3.6978 C 0 0 0 0 0 0 0 0 0 -0.1005 0.0645 -2.5312 C 0 0 0 0 0 0 0 0 0 0.6344 2.3132 -2.0938 C 0 0 0 0 0 0 0 0 0 -0.1160 1.2009 -1.7343 C 0 0 0 0 0 0 0 0 0 -0.9057 -1.1356 -2.1207 C 0 0 0 0 0 0 0 0 0 -1.7005 -1.1189 -0.8399 C 0 0 0 0 0 0 0 0 0 -0.9424 1.2338 -0.4824 C 0 0 0 0 0 0 0 0 0 -1.7099 0.0134 -0.0279 C 0 0 0 0 0 0 0 0 0 -2.4227 -2.2517 -0.4808 C 0 0 0 0 0 0 0 0 0 -3.1470 -2.2645 0.7080 C 0 0 0 0 0 0 0 0 0 -2.4190 -0.0005 1.1737 C 0 0 0 0 0 0 0 0 0 -3.9521 -3.4647 1.1373 C 0 0 1 0 0 0 0 0 0 -3.1308 -1.1423 1.5263 C 0 0 0 0 0 0 0 0 0 -5.0848 -3.8169 0.1645 C 0 0 0 0 0 0 0 0 0 -5.8566 -5.0343 0.7067 C 0 0 1 0 0 0 0 0 0 -3.6902 -5.7205 1.7766 C 0 0 1 0 0 0 0 0 0 -4.8159 -6.1694 0.8341 C 0 0 1 0 0 0 0 0 0 -2.4097 1.2082 2.0806 C 0 0 1 0 0 0 0 0 0 -3.3386 1.1897 3.3010 C 0 0 0 0 0 0 0 0 0 -3.1671 2.5056 4.0756 C 0 0 1 0 0 0 0 0 0 -0.8170 2.5055 3.2517 C 0 0 1 0 0 0 0 0 0 -1.6918 2.5535 4.5120 C 0 0 1 0 0 0 0 0 0 -5.4222 -7.3786 1.2501 O 0 0 0 0 0 0 0 0 0 -6.5148 -4.6796 1.9832 N 0 0 0 0 0 0 0 0 0 -7.5266 -3.6192 1.9652 C 0 0 0 0 0 0 0 0 0 -6.9591 -5.7828 2.8390 C 0 0 0 0 0 0 0 0 0 -2.5966 -6.7741 1.9199 C 0 0 0 0 0 0 0 0 0 -6.8928 -5.4785 -0.3345 C 0 0 0 0 0 0 0 0 0 -1.4423 3.6738 5.3388 O 0 0 0 0 0 0 0 0 0 0.7323 -1.7954 -10.5595 C 0 0 0 0 0 0 0 0 0 0.6717 2.5090 3.5817 C 0 0 0 0 0 0 0 0 0 -3.6255 3.6545 3.2729 N 0 0 0 0 0 0 0 0 0 -5.0556 3.6609 2.9613 C 0 0 0 0 0 0 0 0 0 -3.2079 4.9722 3.7543 C 0 0 0 0 0 0 0 0 0 -2.3984 -3.3228 -1.3174 O 0 0 0 0 0 0 0 0 0 1.5364 -3.8043 -5.6674 C 0 0 0 0 0 0 0 0 0 2.2158 3.5154 -3.6092 C 0 0 0 0 0 0 0 0 0 0.0084 -3.4651 -7.9784 H 0 0 0 0 0 0 0 0 0 -0.4929 -0.4244 -7.4865 H 0 0 0 0 0 0 0 0 0 -0.0980 0.1841 -9.8660 H 0 0 0 0 0 0 0 0 0 2.7020 -0.3429 -6.9534 H 0 0 0 0 0 0 0 0 0 0.6158 3.1701 -1.4846 H 0 0 0 0 0 0 0 0 0 -4.3927 -3.2594 2.1044 H 0 0 0 0 0 0 0 0 0 -3.6700 -1.1679 2.4261 H 0 0 0 0 0 0 0 0 0 -5.7333 -2.9663 0.0281 H 0 0 0 0 0 0 0 0 0 -4.6721 -4.0599 -0.8032 H 0 0 0 0 0 0 0 0 0 -4.0944 -5.5199 2.7592 H 0 0 0 0 0 0 0 0 0 -4.3719 -6.3298 -0.1397 H 0 0 0 0 0 0 0 0 0 -2.6772 2.0721 1.4861 H 0 0 0 0 0 0 0 0 0 -4.3629 1.0493 2.9940 H 0 0 0 0 0 0 0 0 0 -3.0615 0.3657 3.9427 H 0 0 0 0 0 0 0 0 0 -3.7616 2.4599 4.9775 H 0 0 0 0 0 0 0 0 0 -1.0274 3.3600 2.6228 H 0 0 0 0 0 0 0 0 0 -1.4862 1.6602 5.0868 H 0 0 0 0 0 0 0 0 0 -4.8366 -8.1083 1.0779 H 0 0 0 0 0 0 0 0 0 -7.7902 -3.3409 2.9757 H 0 0 0 0 0 0 0 0 0 -7.1712 -2.7262 1.4769 H 0 0 0 0 0 0 0 0 0 -8.4199 -3.9617 1.4622 H 0 0 0 0 0 0 0 0 0 -6.1314 -6.4157 3.1189 H 0 0 0 0 0 0 0 0 0 -7.3889 -5.4077 3.7570 H 0 0 0 0 0 0 0 0 0 -7.7003 -6.3813 2.3295 H 0 0 0 0 0 0 0 0 0 -1.8209 -6.3898 2.5658 H 0 0 0 0 0 0 0 0 0 -3.0012 -7.6757 2.3553 H 0 0 0 0 0 0 0 0 0 -2.1710 -6.9954 0.9522 H 0 0 0 0 0 0 0 0 0 -7.5949 -4.6829 -0.5335 H 0 0 0 0 0 0 0 0 0 -6.4052 -5.7426 -1.2621 H 0 0 0 0 0 0 0 0 0 -7.4330 -6.3408 0.0280 H 0 0 0 0 0 0 0 0 0 -0.5972 3.5738 5.7637 H 0 0 0 0 0 0 0 0 0 0.3719 -1.6489 -11.5668 H 0 0 0 0 0 0 0 0 0 1.7864 -1.5634 -10.5188 H 0 0 0 0 0 0 0 0 0 0.5821 -2.8271 -10.2789 H 0 0 0 0 0 0 0 0 0 1.2342 2.4229 2.6638 H 0 0 0 0 0 0 0 0 0 0.9416 3.4307 4.0756 H 0 0 0 0 0 0 0 0 0 0.9075 1.6705 4.2202 H 0 0 0 0 0 0 0 0 0 -5.6365 3.6798 3.8729 H 0 0 0 0 0 0 0 0 0 -5.3105 4.5288 2.3695 H 0 0 0 0 0 0 0 0 0 -5.3338 2.7944 2.3822 H 0 0 0 0 0 0 0 0 0 -3.5933 5.7541 3.1155 H 0 0 0 0 0 0 0 0 0 -3.5634 5.1345 4.7620 H 0 0 0 0 0 0 0 0 0 -2.1322 5.0607 3.7423 H 0 0 0 0 0 0 0 0 0 -2.5427 -4.1325 -0.8411 H 0 0 0 0 0 0 0 0 0 2.5188 -3.7675 -5.2206 H 0 0 0 0 0 0 0 0 0 0.7976 -3.9583 -4.8945 H 0 0 0 0 0 0 0 0 0 1.4981 -4.6243 -6.3694 H 0 0 0 0 0 0 0 0 0 3.2618 3.2510 -3.6670 H 0 0 0 0 0 0 0 0 0 1.8913 3.8939 -4.5678 H 0 0 0 0 0 0 0 0 0 2.0966 4.2948 -2.8705 H 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 33 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 35 1 0 0 0 0 3 38 1 0 0 0 0 4 22 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 24 2 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 6 0 0 0 9 53 1 1 0 0 0 10 14 2 0 0 0 0 11 12 1 6 0 0 0 11 55 1 0 0 0 0 12 13 1 6 0 0 0 12 56 1 0 0 0 0 13 47 1 0 0 0 0 13 57 1 6 0 0 0 14 15 1 0 0 0 0 14 58 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 17 54 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 22 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 59 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 26 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 26 52 1 0 0 0 0 26 27 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 35 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 6 0 0 0 29 60 1 1 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 41 1 1 0 0 0 32 34 1 0 0 0 0 32 45 1 6 0 0 0 33 34 1 6 0 0 0 33 44 1 0 0 0 0 33 64 1 1 0 0 0 34 40 1 6 0 0 0 34 65 1 0 0 0 0 35 36 1 1 0 0 0 35 66 1 6 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 49 1 0 0 0 0 37 39 1 6 0 0 0 37 69 1 1 0 0 0 38 39 1 1 0 0 0 38 48 1 6 0 0 0 38 70 1 0 0 0 0 39 46 1 1 0 0 0 39 71 1 6 0 0 0 40 72 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 44 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 48 89 1 0 0 0 0 48 90 1 0 0 0 0 48 91 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 50 94 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 51 97 1 0 0 0 0 52 98 1 0 0 0 0 53 99 1 0 0 0 0 53100 1 0 0 0 0 53101 1 0 0 0 0 54102 1 0 0 0 0 54103 1 0 0 0 0 54104 1 0 0 0 0 M END > 70929 > K $$$$ 71300 1016 111283D 71300 51 53 0 1 V2000 0.8339 -2.1819 0.7036 O 0 0 0 0 0 0 0 0 0 1.7124 -4.7092 -2.2716 O 0 0 0 0 0 0 0 0 0 5.2269 -3.6402 -1.7585 C 0 0 0 0 0 0 0 0 0 4.0498 -4.0467 -2.3815 C 0 0 0 0 0 0 0 0 0 6.4381 -3.7940 -2.4244 C 0 0 0 0 0 0 0 0 0 6.4856 -4.3620 -3.6893 C 0 0 0 0 0 0 0 0 0 4.1084 -4.6238 -3.6449 C 0 0 0 0 0 0 0 0 0 2.6876 -3.8997 -1.7553 C 0 0 0 0 0 0 0 0 0 2.4482 -3.0308 -0.7623 C 0 0 0 0 0 0 0 0 0 5.3149 -4.7817 -4.3123 C 0 0 0 0 0 0 0 0 0 1.0665 -2.9286 -0.2163 C 0 0 0 0 0 0 0 0 0 0.0112 -3.7727 -0.8469 C 0 0 0 0 0 0 0 0 0 -0.5215 -5.4846 -2.4480 C 0 0 0 0 0 0 0 0 0 0.4127 -4.6462 -1.8483 C 0 0 0 0 0 0 0 0 0 -1.8645 -5.3885 -2.0839 C 0 0 0 0 0 0 0 0 0 -2.2545 -4.5028 -1.0811 C 0 0 0 0 0 0 0 0 0 -1.3154 -3.6914 -0.4512 C 0 0 0 0 0 0 0 0 0 -2.8076 -6.1562 -2.7071 O 0 0 0 0 0 0 0 0 0 -3.4834 -7.0639 -1.8567 C 0 0 0 0 0 0 0 0 0 -3.5651 -4.4254 -0.7092 O 0 0 0 0 0 0 0 0 0 -4.3445 -3.7168 -1.6524 C 0 0 0 0 0 0 0 0 0 -0.0579 -6.3778 -3.3744 O 0 0 0 0 0 0 0 0 0 -0.8656 -6.6022 -4.5136 C 0 0 0 0 0 0 0 0 0 -1.6446 -2.8114 0.5382 O 0 0 0 0 0 0 0 0 0 -2.6018 -3.2577 1.4817 C 0 0 0 0 0 0 0 0 0 5.2535 -5.3475 -5.5525 O 0 0 0 0 0 0 0 0 0 6.4628 -5.5721 -6.2496 C 0 0 0 0 0 0 0 0 0 5.1918 -3.0949 -0.5099 O 0 0 0 0 0 0 0 0 0 6.1250 -3.6226 0.4157 C 0 0 0 0 0 0 0 0 0 7.3294 -3.4781 -1.9705 H 0 0 0 0 0 0 0 0 0 7.4139 -4.4682 -4.1654 H 0 0 0 0 0 0 0 0 0 3.2253 -4.9473 -4.1130 H 0 0 0 0 0 0 0 0 0 3.1995 -2.4210 -0.3624 H 0 0 0 0 0 0 0 0 0 -2.7847 -7.7787 -1.4448 H 0 0 0 0 0 0 0 0 0 -3.9999 -6.5646 -1.0505 H 0 0 0 0 0 0 0 0 0 -4.2143 -7.6012 -2.4432 H 0 0 0 0 0 0 0 0 0 -5.3765 -3.7349 -1.3340 H 0 0 0 0 0 0 0 0 0 -4.0205 -2.6862 -1.7040 H 0 0 0 0 0 0 0 0 0 -4.2795 -4.1662 -2.6335 H 0 0 0 0 0 0 0 0 0 -0.2807 -7.1444 -5.2418 H 0 0 0 0 0 0 0 0 0 -1.7325 -7.1983 -4.2727 H 0 0 0 0 0 0 0 0 0 -1.1739 -5.6642 -4.9543 H 0 0 0 0 0 0 0 0 0 -2.3658 -2.8142 2.4378 H 0 0 0 0 0 0 0 0 0 -3.5925 -2.9445 1.1860 H 0 0 0 0 0 0 0 0 0 -2.5881 -4.3326 1.6024 H 0 0 0 0 0 0 0 0 0 6.2327 -6.0299 -7.2002 H 0 0 0 0 0 0 0 0 0 6.9748 -4.6381 -6.4331 H 0 0 0 0 0 0 0 0 0 7.1025 -6.2416 -5.6919 H 0 0 0 0 0 0 0 0 0 5.8518 -3.2880 1.4056 H 0 0 0 0 0 0 0 0 0 6.1102 -4.7045 0.4074 H 0 0 0 0 0 0 0 0 0 7.1248 -3.2731 0.2041 H 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 8 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 10 2 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 22 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 18 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 16 17 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > 71300 > K $$$$ 71851 1016 111283D 71851 32 34 1 1 V2000 5.8278 -4.1642 -6.1718 N 0 0 0 0 0 0 0 0 0 4.2551 -3.1102 -3.6374 H 0 0 0 0 0 0 0 0 0 4.9593 -3.5582 -4.1260 N 0 0 0 0 0 0 0 0 0 7.9887 -5.4842 -6.5122 S 0 0 0 0 0 0 0 0 0 6.2545 -3.5783 0.0722 O 0 0 0 0 0 0 0 0 0 6.2454 -4.2607 -2.1568 N 0 0 0 0 0 0 0 0 0 7.8841 -5.3023 -3.2537 N 0 0 0 0 0 0 0 0 0 5.3323 -3.5634 1.1431 C 0 0 1 0 0 0 0 0 0 4.3201 -4.6640 0.8293 C 0 0 1 0 0 0 0 0 0 4.3763 -4.7431 -0.6915 C 0 0 0 0 0 0 0 0 0 5.4606 -3.7429 -1.0807 C 0 0 1 0 0 0 0 0 0 4.9353 -3.5980 -5.4896 C 0 0 0 0 0 0 0 0 0 7.3979 -4.9570 -2.0374 C 0 0 0 0 0 0 0 0 0 5.9829 -4.1536 -3.4638 C 0 0 0 0 0 0 0 0 0 6.9978 -4.7961 -4.1319 C 0 0 0 0 0 0 0 0 0 6.9075 -4.7970 -5.6222 C 0 0 0 0 0 0 0 0 0 3.9087 -3.0043 -6.1333 N 0 0 0 0 0 0 0 0 0 5.0117 -3.7657 3.5028 O 0 0 0 0 0 0 0 0 0 6.0015 -3.7839 2.4946 C 0 0 0 0 0 0 0 0 0 4.7176 -5.9101 1.3647 O 0 0 0 0 0 0 0 0 0 4.8309 -2.6050 1.1698 H 0 0 0 0 0 0 0 0 0 3.3420 -4.3822 1.1961 H 0 0 0 0 0 0 0 0 0 4.6791 -5.7405 -0.9764 H 0 0 0 0 0 0 0 0 0 3.4327 -4.4964 -1.1543 H 0 0 0 0 0 0 0 0 0 5.0234 -2.7906 -1.3529 H 0 0 0 0 0 0 0 0 0 7.8567 -5.1977 -1.1215 H 0 0 0 0 0 0 0 0 0 3.8747 -3.0235 -7.1018 H 0 0 0 0 0 0 0 0 0 3.2079 -2.5601 -5.6341 H 0 0 0 0 0 0 0 0 0 5.3991 -4.0720 4.3169 H 0 0 0 0 0 0 0 0 0 6.5257 -4.7296 2.4777 H 0 0 0 0 0 0 0 0 0 6.7148 -2.9893 2.6620 H 0 0 0 0 0 0 0 0 0 4.0098 -6.5379 1.2603 H 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 16 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 13 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 6 0 0 0 8 19 1 1 0 0 0 8 21 1 0 0 0 0 9 20 1 1 0 0 0 9 10 1 6 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 6 0 0 0 12 17 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 M END > 71851 > K $$$$ 72961 1016 111283D 72961 31 33 1 1 V2000 10.8074 -3.9611 1.9580 N 0 0 0 0 0 0 0 0 0 9.5559 -2.4731 0.6242 N 0 0 0 0 0 0 0 0 0 8.5968 -1.8341 3.9374 N 0 0 0 0 0 0 0 0 0 6.7392 -1.0934 0.0264 O 0 0 0 0 0 0 0 0 0 8.0681 -1.0441 1.9421 N 0 0 0 0 0 0 0 0 0 7.8280 -0.9388 3.2707 N 0 0 0 0 0 0 0 0 0 10.2497 -3.4992 3.1036 C 0 0 0 0 0 0 0 0 0 9.3094 -2.4862 3.0014 C 0 0 0 0 0 0 0 0 0 8.9875 -2.0003 1.7546 C 0 0 0 0 0 0 0 0 0 10.4740 -3.4653 0.7374 C 0 0 0 0 0 0 0 0 0 7.4314 -0.2549 0.9316 C 0 0 1 0 0 0 0 0 0 8.3975 0.5626 0.0788 C 0 0 1 0 0 0 0 0 0 7.4248 0.9173 -1.0397 C 0 0 1 0 0 0 0 0 0 6.7005 -0.4193 -1.2179 C 0 0 1 0 0 0 0 0 0 10.6247 -4.0365 4.2915 N 0 0 0 0 0 0 0 0 0 7.5027 -0.5579 -3.4682 O 0 0 0 0 0 0 0 0 0 7.3695 -1.2974 -2.2726 C 0 0 0 0 0 0 0 0 0 6.5219 1.9111 -0.5956 O 0 0 0 0 0 0 0 0 0 8.9651 1.6664 0.7575 O 0 0 0 0 0 0 0 0 0 10.9322 -3.8550 -0.1244 H 0 0 0 0 0 0 0 0 0 6.7351 0.4245 1.4070 H 0 0 0 0 0 0 0 0 0 9.1752 -0.0850 -0.2996 H 0 0 0 0 0 0 0 0 0 7.9404 1.2428 -1.9330 H 0 0 0 0 0 0 0 0 0 5.6818 -0.2309 -1.5251 H 0 0 0 0 0 0 0 0 0 11.2873 -4.7444 4.3113 H 0 0 0 0 0 0 0 0 0 10.2354 -3.7180 5.1217 H 0 0 0 0 0 0 0 0 0 7.8757 -1.1202 -4.1415 H 0 0 0 0 0 0 0 0 0 8.3405 -1.6110 -1.9156 H 0 0 0 0 0 0 0 0 0 6.7565 -2.1740 -2.4299 H 0 0 0 0 0 0 0 0 0 5.9479 2.1620 -1.3129 H 0 0 0 0 0 0 0 0 0 9.4196 2.2197 0.1314 H 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 2 9 1 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 9 1 0 0 0 0 7 15 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 1 0 0 0 11 21 1 0 0 0 0 12 19 1 1 0 0 0 12 13 1 6 0 0 0 12 22 1 0 0 0 0 13 18 1 1 0 0 0 13 14 1 6 0 0 0 13 23 1 0 0 0 0 14 17 1 6 0 0 0 14 24 1 1 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > 72961 > K $$$$ 73306 1016 111283D 73306 37 39 0 1 V2000 0.5262 1.8368 -1.8507 Cl 0 0 0 0 0 0 0 0 0 -2.6506 5.1192 1.0764 Cl 0 0 0 0 0 0 0 0 0 0.1585 6.2413 1.9889 N 0 0 0 0 0 0 0 0 0 -0.5950 6.6879 2.4056 H 0 0 0 0 0 0 0 0 0 1.8118 7.4341 2.9852 O 0 0 0 0 0 0 0 0 0 -1.0621 4.6034 0.5884 C 0 0 0 0 0 0 0 0 0 -0.9109 3.5609 -0.3196 C 0 0 0 0 0 0 0 0 0 0.0761 5.2189 1.0927 C 0 0 0 0 0 0 0 0 0 1.3351 4.8066 0.6890 C 0 0 0 0 0 0 0 0 0 0.3560 3.1493 -0.7215 C 0 0 0 0 0 0 0 0 0 2.3269 5.6608 1.4120 C 0 0 0 0 0 0 0 0 0 1.4557 6.5624 2.2298 C 0 0 0 0 0 0 0 0 0 1.4940 3.7769 -0.2297 C 0 0 0 0 0 0 0 0 0 8.1339 2.9197 -1.1118 C 0 0 0 0 0 0 0 0 0 9.5105 2.7570 -1.2074 C 0 0 0 0 0 0 0 0 0 7.5794 3.6972 -0.1015 C 0 0 0 0 0 0 0 0 0 10.3572 3.3690 -0.2872 C 0 0 0 0 0 0 0 0 0 8.4276 4.2913 0.8272 C 0 0 0 0 0 0 0 0 0 9.8029 4.1366 0.7266 C 0 0 0 0 0 0 0 0 0 3.5808 5.6495 1.3583 N 0 0 0 0 0 0 0 0 0 4.2843 4.7155 0.8827 N 0 0 0 0 0 0 0 0 0 5.5651 4.9156 0.4881 C 0 0 0 0 0 0 0 0 0 6.2126 6.3289 0.6587 S 0 0 0 0 0 0 0 0 0 6.2229 3.8472 -0.0509 N 0 0 0 0 0 0 0 0 0 11.7181 3.2795 -0.2889 O 0 0 0 0 0 0 0 0 0 12.3487 2.6749 -1.3994 C 0 0 0 0 0 0 0 0 0 -1.7605 3.0795 -0.7061 H 0 0 0 0 0 0 0 0 0 2.4400 3.4660 -0.5572 H 0 0 0 0 0 0 0 0 0 7.5077 2.4514 -1.8129 H 0 0 0 0 0 0 0 0 0 9.9030 2.1675 -1.9813 H 0 0 0 0 0 0 0 0 0 8.0373 4.8610 1.6165 H 0 0 0 0 0 0 0 0 0 10.4354 4.6031 1.4226 H 0 0 0 0 0 0 0 0 0 3.9273 3.8195 0.7975 H 0 0 0 0 0 0 0 0 0 5.6800 3.1383 -0.4289 H 0 0 0 0 0 0 0 0 0 12.0525 3.1592 -2.3194 H 0 0 0 0 0 0 0 0 0 13.4171 2.7834 -1.2836 H 0 0 0 0 0 0 0 0 0 12.1096 1.6220 -1.4404 H 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 3 12 1 0 0 0 0 3 8 1 0 0 0 0 3 4 1 0 0 0 0 5 12 2 0 0 0 0 6 8 2 0 0 0 0 6 7 1 0 0 0 0 7 10 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 13 1 0 0 0 0 11 20 2 0 0 0 0 11 12 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 24 1 0 0 0 0 16 18 1 0 0 0 0 17 25 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 M END > 73306 > K $$$$ 73413 1016 111283D 73413 44 47 0 2 V2000 0.8377 0.3312 2.1787 N 0 0 0 0 0 0 0 0 0 0.7572 -0.3693 3.0279 N 0 0 0 0 0 0 0 0 0 4.3490 2.0994 0.8604 C 0 0 0 0 0 0 0 0 0 3.1659 2.2803 0.1554 C 0 0 0 0 0 0 0 0 0 4.3627 1.3113 2.0025 C 0 0 0 0 0 0 0 0 0 3.1571 3.0646 -0.9927 C 0 0 0 0 0 0 0 0 0 1.9790 3.2476 -1.7037 C 0 0 0 0 0 0 0 0 0 3.1973 0.7015 2.4525 C 0 0 0 0 0 0 0 0 0 1.9909 1.6750 0.6018 C 0 0 0 0 0 0 0 0 0 0.8075 2.6454 -1.2668 C 0 0 0 0 0 0 0 0 0 2.0056 0.8938 1.7556 C 0 0 0 0 0 0 0 0 0 0.8150 1.8629 -0.1196 C 0 0 0 0 0 0 0 0 0 -0.4117 -0.9697 3.3838 C 0 0 0 0 0 0 0 0 0 -1.6191 -0.2696 3.3809 C 0 0 0 0 0 0 0 0 0 -0.3899 -2.3118 3.7591 C 0 0 0 0 0 0 0 0 0 0.8108 -3.0168 3.7747 C 0 0 0 0 0 0 0 0 0 0.8389 -4.3562 4.1397 C 0 0 0 0 0 0 0 0 0 -2.7880 -0.9187 3.7451 C 0 0 0 0 0 0 0 0 0 -1.5720 -2.9617 4.1210 C 0 0 0 0 0 0 0 0 0 -0.3371 -5.0035 4.4930 C 0 0 0 0 0 0 0 0 0 -2.7710 -2.2554 4.1121 C 0 0 0 0 0 0 0 0 0 -1.5369 -4.3049 4.4848 C 0 0 0 0 0 0 0 0 0 -0.3394 -6.3125 4.8484 N 0 3 0 0 0 0 0 0 0 0.7161 -6.9835 4.8705 O 0 0 0 0 0 0 0 0 0 -1.6041 -6.9401 5.2100 O 0 5 0 0 0 0 0 0 0 -4.3245 -3.0066 4.5617 S 0 0 0 0 0 0 0 0 0 -4.6257 -4.0804 3.6694 O 0 0 0 0 0 0 0 0 0 -4.2698 -3.4841 5.9068 O 0 0 0 0 0 0 0 0 0 -5.4953 -1.9323 4.4608 O 0 0 0 0 0 0 0 0 0 -1.7619 1.0408 3.0422 O 0 0 0 0 0 0 0 0 0 3.2136 -0.0814 3.5677 O 0 0 0 0 0 0 0 0 0 5.2372 2.5566 0.5331 H 0 0 0 0 0 0 0 0 0 5.2607 1.1761 2.5291 H 0 0 0 0 0 0 0 0 0 4.0408 3.5231 -1.3295 H 0 0 0 0 0 0 0 0 0 1.9740 3.8409 -2.5709 H 0 0 0 0 0 0 0 0 0 -0.0849 2.7819 -1.8044 H 0 0 0 0 0 0 0 0 0 -0.0808 1.4135 0.1968 H 0 0 0 0 0 0 0 0 0 1.7103 -2.5402 3.5092 H 0 0 0 0 0 0 0 0 0 1.7499 -4.8790 4.1481 H 0 0 0 0 0 0 0 0 0 -3.6939 -0.3867 3.7417 H 0 0 0 0 0 0 0 0 0 -2.4150 -4.8143 4.7592 H 0 0 0 0 0 0 0 0 0 -6.2782 -2.4119 4.7025 H 0 0 0 0 0 0 0 0 0 -0.9228 1.4725 2.9371 H 0 0 0 0 0 0 0 0 0 4.0789 -0.1043 3.9602 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 32 1 0 0 0 0 4 9 1 0 0 0 0 4 6 1 0 0 0 0 5 8 2 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 35 1 0 0 0 0 8 31 1 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 30 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 22 2 0 0 0 0 21 26 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 26 29 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 29 42 1 0 0 0 0 30 43 1 0 0 0 0 31 44 1 0 0 0 0 M CHG 2 23 1 25 -1 M END > 73413 > K $$$$ 74420 1016 111283D 74420 29 30 0 1 V2000 -1.7668 -3.2563 1.9620 Cl 0 0 0 0 0 0 0 0 0 0.0360 1.8650 -0.6909 C 0 0 0 0 0 0 0 0 0 2.0252 3.4285 -0.2265 C 0 0 0 0 0 0 0 0 0 1.5050 2.1472 -0.8752 C 0 0 0 0 0 0 0 0 0 2.3966 2.0779 0.3636 C 0 0 0 0 0 0 0 0 0 -1.7412 0.4124 0.3402 C 0 0 0 0 0 0 0 0 0 -2.1593 -0.7623 0.9534 C 0 0 0 0 0 0 0 0 0 -0.4123 0.5790 -0.0379 C 0 0 0 0 0 0 0 0 0 0.4890 -0.4554 0.1968 C 0 0 0 0 0 0 0 0 0 -1.2503 -1.7842 1.1912 C 0 0 0 0 0 0 0 0 0 0.0752 -1.6297 0.8110 C 0 0 0 0 0 0 0 0 0 -0.8350 2.6868 -1.0710 N 0 0 0 0 0 0 0 0 0 -0.6390 3.7414 -1.7434 N 0 0 0 0 0 0 0 0 0 -1.6309 4.6371 -1.9645 C 0 0 0 0 0 0 0 0 0 -2.8719 4.4457 -1.4632 N 0 0 0 0 0 0 0 0 0 -1.3835 5.6546 -2.6445 N 0 0 0 0 0 0 0 0 0 2.8248 3.9371 -0.7444 H 0 0 0 0 0 0 0 0 0 1.3192 3.9995 0.3600 H 0 0 0 0 0 0 0 0 0 1.9783 1.8821 -1.8101 H 0 0 0 0 0 0 0 0 0 3.4211 1.7765 0.2026 H 0 0 0 0 0 0 0 0 0 1.9144 1.8488 1.3032 H 0 0 0 0 0 0 0 0 0 -2.4387 1.1783 0.1641 H 0 0 0 0 0 0 0 0 0 -3.1636 -0.8792 1.2385 H 0 0 0 0 0 0 0 0 0 1.4939 -0.3601 -0.0897 H 0 0 0 0 0 0 0 0 0 0.7648 -2.4014 0.9880 H 0 0 0 0 0 0 0 0 0 0.2292 3.9431 -2.1253 H 0 0 0 0 0 0 0 0 0 -3.5767 5.0889 -1.6280 H 0 0 0 0 0 0 0 0 0 -3.0550 3.6553 -0.9339 H 0 0 0 0 0 0 0 0 0 -2.0760 6.3097 -2.8156 H 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 12 2 0 0 0 0 2 8 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 2 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 10 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 M END > 74420 > K $$$$ 76747 1016 111283D 76747 37 40 0 2 V2000 1.7984 1.0533 0.2131 H 0 0 0 0 0 0 0 0 0 0.8858 1.3709 0.1146 N 0 0 0 0 0 0 0 0 0 -4.4905 5.0723 -1.9966 N 0 5 0 0 0 0 0 0 0 -4.3429 3.8247 -4.1047 C 0 0 0 0 0 0 0 0 0 -3.5903 2.8887 -4.8055 C 0 0 0 0 0 0 0 0 0 -3.9255 4.1866 -2.8337 C 0 0 0 0 0 0 0 0 0 -2.4389 2.3450 -4.2431 C 0 0 0 0 0 0 0 0 0 -2.8005 3.6299 -2.2578 C 0 0 0 0 0 0 0 0 0 -2.0271 2.7189 -2.9680 C 0 0 0 0 0 0 0 0 0 -2.6985 4.1733 -0.9858 C 0 3 0 0 0 0 0 0 0 -3.7462 5.0761 -0.8758 C 0 0 0 0 0 0 0 0 0 -0.3289 -0.7819 -0.3181 C 0 0 0 0 0 0 0 0 0 -0.2191 0.5892 -0.1420 C 0 0 0 0 0 0 0 0 0 -1.5922 -1.3121 -0.5612 C 0 0 0 0 0 0 0 0 0 -1.3262 1.4124 -0.2110 C 0 0 0 0 0 0 0 0 0 -2.7109 -0.4847 -0.6239 C 0 0 0 0 0 0 0 0 0 -2.5906 0.8897 -0.4478 C 0 0 0 0 0 0 0 0 0 -0.9109 2.7186 -0.0075 C 0 0 0 0 0 0 0 0 0 0.4595 2.6835 0.2071 C 0 0 0 0 0 0 0 0 0 1.3560 3.8507 0.4886 C 0 0 0 0 0 0 0 0 0 -1.8040 3.9261 -0.0173 C 0 0 0 0 0 0 0 0 0 -4.0583 5.9536 0.2977 C 0 0 0 0 0 0 0 0 0 -5.2073 4.2509 -4.5214 H 0 0 0 0 0 0 0 0 0 -3.8937 2.5917 -5.7662 H 0 0 0 0 0 0 0 0 0 -1.8758 1.6455 -4.7878 H 0 0 0 0 0 0 0 0 0 -1.1479 2.3126 -2.5685 H 0 0 0 0 0 0 0 0 0 0.5179 -1.4005 -0.2690 H 0 0 0 0 0 0 0 0 0 -1.7047 -2.3476 -0.6988 H 0 0 0 0 0 0 0 0 0 -3.6580 -0.9025 -0.8063 H 0 0 0 0 0 0 0 0 0 -3.4382 1.5088 -0.4941 H 0 0 0 0 0 0 0 0 0 1.7752 4.2066 -0.4412 H 0 0 0 0 0 0 0 0 0 0.8035 4.6476 0.9628 H 0 0 0 0 0 0 0 0 0 2.1576 3.5355 1.1401 H 0 0 0 0 0 0 0 0 0 -1.7255 4.6049 0.7789 H 0 0 0 0 0 0 0 0 0 -4.9973 6.4562 0.1171 H 0 0 0 0 0 0 0 0 0 -4.1395 5.3575 1.1937 H 0 0 0 0 0 0 0 0 0 -3.2791 6.6921 0.4133 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 19 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 9 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 21 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M CHG 2 3 -1 10 1 M END > 76747 > K $$$$ 77021 1016 111283D 77021 54 57 1 1 V2000 2.0562 -5.1816 -0.2284 O 0 0 0 0 0 0 0 0 0 0.5411 -0.5423 0.2710 F 0 0 0 0 0 0 0 0 0 0.3817 -2.1644 -3.7913 F 0 0 0 0 0 0 0 0 0 1.8880 1.1968 -2.1968 H 0 0 0 0 0 0 0 0 0 -0.6572 1.5245 -0.6492 H 0 0 0 0 0 0 0 0 0 -0.2630 3.9486 -0.0819 C 0 0 1 0 0 0 0 0 0 -0.8041 4.1280 -1.5103 C 0 0 0 0 0 0 0 0 0 0.8956 2.9588 -0.2925 C 0 0 1 0 0 0 0 0 0 1.3230 2.1985 0.9701 C 0 0 0 0 0 0 0 0 0 2.2367 1.0069 0.6360 C 0 0 1 0 0 0 0 0 0 -0.4384 2.8515 -2.2749 C 0 0 0 0 0 0 0 0 0 0.1711 1.9563 -1.1979 C 0 0 1 0 0 0 0 0 0 1.6158 0.0325 -0.3925 C 0 0 2 0 0 0 0 0 0 1.0665 0.7875 -1.6300 C 0 0 1 0 0 0 0 0 0 2.5528 -1.1306 -0.8253 C 0 0 1 0 0 0 0 0 0 3.1113 -1.8573 0.3846 C 0 0 0 0 0 0 0 0 0 2.9500 -3.1707 0.5889 C 0 0 0 0 0 0 0 0 0 0.2896 -0.1611 -2.5540 C 0 0 0 0 0 0 0 0 0 1.7662 -2.0049 -1.7954 C 0 0 0 0 0 0 0 0 0 2.1923 -3.9940 -0.3985 C 0 0 0 0 0 0 0 0 0 1.1585 -1.3338 -3.0059 C 0 0 1 0 0 0 0 0 0 1.6070 -3.3240 -1.5984 C 0 0 0 0 0 0 0 0 0 3.4897 1.4816 0.1918 O 0 0 0 0 0 0 0 0 0 3.8254 -0.6843 -1.5664 C 0 0 0 0 0 0 0 0 0 2.1152 3.6428 -0.9484 C 0 0 0 0 0 0 0 0 0 0.1260 5.2252 0.6278 C 0 0 0 0 0 0 0 0 0 1.1237 5.2697 1.3098 O 0 0 0 0 0 0 0 0 0 -0.7112 6.4653 0.5106 C 0 0 0 0 0 0 0 0 0 -1.9207 6.2274 -0.1813 O 0 0 0 0 0 0 0 0 0 -1.2578 3.2841 0.6744 O 0 0 0 0 0 0 0 0 0 -1.8747 4.2704 -1.4898 H 0 0 0 0 0 0 0 0 0 -0.3444 4.9782 -1.9938 H 0 0 0 0 0 0 0 0 0 1.8340 2.8696 1.6453 H 0 0 0 0 0 0 0 0 0 0.4440 1.8242 1.4762 H 0 0 0 0 0 0 0 0 0 2.3924 0.4670 1.5602 H 0 0 0 0 0 0 0 0 0 -1.3062 2.3930 -2.7270 H 0 0 0 0 0 0 0 0 0 0.2924 3.0760 -3.0389 H 0 0 0 0 0 0 0 0 0 3.6548 -1.3113 1.0990 H 0 0 0 0 0 0 0 0 0 3.3542 -3.6295 1.4422 H 0 0 0 0 0 0 0 0 0 -0.5762 -0.5465 -2.0324 H 0 0 0 0 0 0 0 0 0 -0.0495 0.3734 -3.4298 H 0 0 0 0 0 0 0 0 0 1.9562 -0.9614 -3.6319 H 0 0 0 0 0 0 0 0 0 1.0680 -3.9097 -2.2829 H 0 0 0 0 0 0 0 0 0 3.9118 1.9669 0.8957 H 0 0 0 0 0 0 0 0 0 4.4820 -0.1268 -0.9153 H 0 0 0 0 0 0 0 0 0 4.3674 -1.5536 -1.9119 H 0 0 0 0 0 0 0 0 0 3.6008 -0.0682 -2.4226 H 0 0 0 0 0 0 0 0 0 2.6182 4.2681 -0.2258 H 0 0 0 0 0 0 0 0 0 2.8256 2.9201 -1.3161 H 0 0 0 0 0 0 0 0 0 1.8239 4.2635 -1.7817 H 0 0 0 0 0 0 0 0 0 -0.9207 6.8244 1.5077 H 0 0 0 0 0 0 0 0 0 -0.1246 7.2083 -0.0118 H 0 0 0 0 0 0 0 0 0 -2.3870 7.0520 -0.2856 H 0 0 0 0 0 0 0 0 0 -2.0160 3.8527 0.7770 H 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 13 1 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 6 30 1 1 0 0 0 6 26 1 6 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 9 1 1 0 0 0 8 25 1 6 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 23 1 6 0 0 0 10 13 1 0 0 0 0 10 35 1 1 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 6 0 0 0 13 15 1 0 0 0 0 13 14 1 6 0 0 0 14 18 1 1 0 0 0 15 19 1 0 0 0 0 15 16 1 1 0 0 0 15 24 1 6 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 22 1 0 0 0 0 21 42 1 6 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END > 77021 > K $$$$ 78365 1016 111283D 78365 42 43 0 1 V2000 -1.5636 5.6978 -6.6728 Cl 0 0 0 0 0 0 0 0 0 -1.2856 9.4844 -5.4022 C 0 0 0 0 0 0 0 0 0 0.0238 9.5506 -4.9627 C 0 0 0 0 0 0 0 0 0 -1.7778 8.2986 -5.9575 C 0 0 0 0 0 0 0 0 0 -0.9666 7.1737 -6.0293 C 0 0 0 0 0 0 0 0 0 0.8225 8.4349 -5.1050 C 0 0 0 0 0 0 0 0 0 0.3436 7.2660 -5.6310 C 0 0 0 0 0 0 0 0 0 1.1317 7.3883 -2.0231 C 0 0 0 0 0 0 0 0 0 0.1477 6.4525 -1.7721 C 0 0 0 0 0 0 0 0 0 0.8010 8.7074 -2.3071 C 0 0 0 0 0 0 0 0 0 -0.5225 9.0827 -2.2106 C 0 0 0 0 0 0 0 0 0 -1.1887 6.8300 -1.6913 C 0 0 0 0 0 0 0 0 0 -1.5192 8.1489 -1.9658 C 0 0 0 0 0 0 0 0 0 -2.2587 5.9769 -1.4832 O 0 0 0 0 0 0 0 0 0 -2.0627 4.6023 -1.7407 C 0 0 0 0 0 0 0 0 0 -3.4440 3.9517 -1.8502 C 0 0 0 0 0 0 0 0 0 -4.2170 4.4635 -3.0701 C 0 0 0 0 0 0 0 0 0 -5.5680 3.7556 -3.2074 C 0 0 0 0 0 0 0 0 0 1.7927 9.5843 -2.6626 N 0 0 0 0 0 0 0 0 0 1.6056 10.6144 -3.4960 C 0 0 0 0 0 0 0 0 0 0.5541 10.6680 -4.3794 N 0 0 0 0 0 0 0 0 0 2.4826 11.5049 -3.5576 N 0 0 0 0 0 0 0 0 0 -1.9502 10.3106 -5.2763 H 0 0 0 0 0 0 0 0 0 -2.7860 8.2357 -6.2395 H 0 0 0 0 0 0 0 0 0 1.8111 8.4788 -4.7412 H 0 0 0 0 0 0 0 0 0 0.9661 6.4256 -5.6406 H 0 0 0 0 0 0 0 0 0 2.1353 7.0785 -2.0420 H 0 0 0 0 0 0 0 0 0 0.4029 5.4429 -1.5627 H 0 0 0 0 0 0 0 0 0 -0.7980 10.0869 -2.3695 H 0 0 0 0 0 0 0 0 0 -2.5416 8.4603 -1.9169 H 0 0 0 0 0 0 0 0 0 -1.5179 4.4328 -2.6668 H 0 0 0 0 0 0 0 0 0 -1.5191 4.1503 -0.9162 H 0 0 0 0 0 0 0 0 0 -3.3160 2.8843 -1.9313 H 0 0 0 0 0 0 0 0 0 -3.9966 4.1771 -0.9516 H 0 0 0 0 0 0 0 0 0 -4.3842 5.5274 -2.9689 H 0 0 0 0 0 0 0 0 0 -3.6404 4.2788 -3.9665 H 0 0 0 0 0 0 0 0 0 -5.4186 2.6855 -3.3097 H 0 0 0 0 0 0 0 0 0 -6.1840 3.9519 -2.3359 H 0 0 0 0 0 0 0 0 0 -6.0785 4.1251 -4.0917 H 0 0 0 0 0 0 0 0 0 2.6641 9.4730 -2.2643 H 0 0 0 0 0 0 0 0 0 0.1154 11.5399 -4.5052 H 0 0 0 0 0 0 0 0 0 2.4339 12.2302 -4.2037 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 2 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 12 2 0 0 0 0 9 28 1 0 0 0 0 10 19 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 13 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END > 78365 > K $$$$ 79451 1016 111283D 79451 34 35 0 2 V2000 1.3220 -0.0754 -0.8185 C 0 0 0 0 0 0 0 0 0 2.3682 0.7896 -0.5182 C 0 0 0 0 0 0 0 0 0 0.2346 -0.2043 0.0492 C 0 0 0 0 0 0 0 0 0 0.2302 0.5577 1.2185 C 0 0 0 0 0 0 0 0 0 2.3520 1.5308 0.6533 C 0 0 0 0 0 0 0 0 0 1.2810 1.4112 1.5263 C 0 0 0 0 0 0 0 0 0 -3.9083 -2.6048 1.0988 C 0 0 0 0 0 0 0 0 0 -2.8996 -2.4368 0.1560 C 0 0 0 0 0 0 0 0 0 -4.9961 -3.4215 0.8343 C 0 0 0 0 0 0 0 0 0 -5.0762 -4.0720 -0.3869 C 0 0 0 0 0 0 0 0 0 -2.9727 -3.1051 -1.0660 C 0 0 0 0 0 0 0 0 0 -4.0778 -3.9187 -1.3429 C 0 0 0 0 0 0 0 0 0 1.4121 -0.8575 -2.1032 C 0 0 0 0 0 0 0 0 0 1.2556 2.1250 2.6809 N 0 3 0 0 0 0 0 0 0 2.1959 2.8920 2.9865 O 0 0 0 0 0 0 0 0 0 0.1147 1.9958 3.5792 O 0 5 0 0 0 0 0 0 0 -0.7783 -1.0707 -0.2857 N 0 0 0 0 0 0 0 0 0 -1.7673 -1.5123 0.5465 C 0 0 0 0 0 0 0 0 0 -1.7638 -1.1514 1.6969 O 0 0 0 0 0 0 0 0 0 -1.9286 -2.9075 -1.9178 O 0 0 0 0 0 0 0 0 0 -4.2536 -4.5916 -2.5180 N 0 3 0 0 0 0 0 0 0 -5.2594 -5.3194 -2.6787 O 0 0 0 0 0 0 0 0 0 -3.3183 -4.5143 -3.6317 O 0 5 0 0 0 0 0 0 0 3.1803 0.8863 -1.1784 H 0 0 0 0 0 0 0 0 0 -0.5655 0.5117 1.8989 H 0 0 0 0 0 0 0 0 0 3.1474 2.1791 0.8766 H 0 0 0 0 0 0 0 0 0 -3.8517 -2.1090 2.0249 H 0 0 0 0 0 0 0 0 0 -5.7531 -3.5447 1.5535 H 0 0 0 0 0 0 0 0 0 -5.9049 -4.6866 -0.5843 H 0 0 0 0 0 0 0 0 0 0.6476 -0.5185 -2.7874 H 0 0 0 0 0 0 0 0 0 2.3760 -0.7233 -2.5727 H 0 0 0 0 0 0 0 0 0 1.2760 -1.9107 -1.9045 H 0 0 0 0 0 0 0 0 0 -0.7964 -1.4018 -1.1920 H 0 0 0 0 0 0 0 0 0 -1.9723 -3.4502 -2.6987 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 2 24 1 0 0 0 0 3 17 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 27 1 0 0 0 0 8 18 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 29 1 0 0 0 0 11 20 1 0 0 0 0 11 12 1 0 0 0 0 12 21 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 M CHG 4 14 1 16 -1 21 1 23 -1 M END > 79451 > K $$$$ 79456 1016 111283D 79456 35 36 0 2 V2000 1.5980 1.3984 0.7336 C 0 0 0 0 0 0 0 0 0 1.8071 0.0262 0.7221 C 0 0 0 0 0 0 0 0 0 0.9220 2.0388 -0.3035 C 0 0 0 0 0 0 0 0 0 1.3527 -0.7405 -0.3411 C 0 0 0 0 0 0 0 0 0 0.4686 1.2588 -1.3705 C 0 0 0 0 0 0 0 0 0 0.6834 -0.1158 -1.3845 C 0 0 0 0 0 0 0 0 0 0.9887 6.4963 1.7717 C 0 0 0 0 0 0 0 0 0 0.7892 7.8674 1.8051 C 0 0 0 0 0 0 0 0 0 0.5528 5.7411 0.6879 C 0 0 0 0 0 0 0 0 0 -0.1147 6.3629 -0.3671 C 0 0 0 0 0 0 0 0 0 0.1532 8.4880 0.7415 C 0 0 0 0 0 0 0 0 0 -0.2947 7.7507 -0.3492 C 0 0 0 0 0 0 0 0 0 -0.8938 8.4553 -1.3537 N 0 3 0 0 0 0 0 0 0 -1.0243 9.6964 -1.2574 O 0 0 0 0 0 0 0 0 0 -1.4063 7.8396 -2.5695 O 0 5 0 0 0 0 0 0 0 -0.5537 5.5414 -1.3602 O 0 0 0 0 0 0 0 0 0 0.8440 4.2566 0.7372 C 0 0 0 0 0 0 0 0 0 1.2402 3.8433 1.7994 O 0 0 0 0 0 0 0 0 0 0.6909 3.3938 -0.3123 N 0 0 0 0 0 0 0 0 0 -0.2648 1.8647 -2.5390 C 0 0 0 0 0 0 0 0 0 1.5807 -2.2254 -0.3625 C 0 0 0 0 0 0 0 0 0 1.9690 1.9374 1.5501 H 0 0 0 0 0 0 0 0 0 2.3126 -0.4285 1.5229 H 0 0 0 0 0 0 0 0 0 0.3369 -0.6920 -2.1923 H 0 0 0 0 0 0 0 0 0 1.4767 6.0292 2.5781 H 0 0 0 0 0 0 0 0 0 1.1184 8.4317 2.6291 H 0 0 0 0 0 0 0 0 0 0.0113 9.5287 0.7673 H 0 0 0 0 0 0 0 0 0 -1.0413 5.9945 -2.0399 H 0 0 0 0 0 0 0 0 0 0.3888 3.7756 -1.1444 H 0 0 0 0 0 0 0 0 0 0.4113 2.4962 -3.0971 H 0 0 0 0 0 0 0 0 0 -0.6451 1.1001 -3.2010 H 0 0 0 0 0 0 0 0 0 -1.0985 2.4538 -2.1858 H 0 0 0 0 0 0 0 0 0 0.6992 -2.7239 0.0145 H 0 0 0 0 0 0 0 0 0 1.7728 -2.5594 -1.3718 H 0 0 0 0 0 0 0 0 0 2.4257 -2.4867 0.2581 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 19 1 0 0 0 0 3 5 2 0 0 0 0 4 21 1 0 0 0 0 4 6 2 0 0 0 0 5 20 1 0 0 0 0 5 6 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 17 1 0 0 0 0 9 10 2 0 0 0 0 10 16 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M CHG 2 13 1 15 -1 M END > 79456 > K $$$$ 79688 1016 111283D 79688 55 57 0 1 V2000 5.5704 -15.1855 11.8135 O 0 0 0 0 0 0 0 0 0 7.1731 -8.2816 12.9555 N 0 0 0 0 0 0 0 0 0 6.9037 -15.7247 13.4980 O 0 0 0 0 0 0 0 0 0 4.1964 -14.5439 10.0299 C 0 0 0 0 0 0 0 0 0 3.4079 -13.6214 9.3575 C 0 0 0 0 0 0 0 0 0 4.8151 -14.2120 11.2278 C 0 0 0 0 0 0 0 0 0 4.6438 -12.9372 11.7663 C 0 0 0 0 0 0 0 0 0 3.2356 -12.3525 9.8960 C 0 0 0 0 0 0 0 0 0 5.3329 -12.5955 13.0651 C 0 0 0 0 0 0 0 0 0 6.2142 -14.8833 12.9747 C 0 0 0 0 0 0 0 0 0 6.0970 -13.5405 13.6294 C 0 0 0 0 0 0 0 0 0 3.8456 -12.0153 11.0966 C 0 0 0 0 0 0 0 0 0 8.4786 -6.2884 12.6098 C 0 0 0 0 0 0 0 0 0 9.3380 -5.3337 13.1464 C 0 0 0 0 0 0 0 0 0 8.1221 -6.1907 11.2704 C 0 0 0 0 0 0 0 0 0 9.8079 -4.2990 12.3450 C 0 0 0 0 0 0 0 0 0 8.6024 -5.1527 10.4822 C 0 0 0 0 0 0 0 0 0 9.4470 -4.1756 11.0047 C 0 0 0 0 0 0 0 0 0 2.8271 -13.9940 8.1876 O 0 0 0 0 0 0 0 0 0 5.1843 -11.2480 13.7302 C 0 0 0 0 0 0 0 0 0 5.8383 -10.1192 12.9806 C 0 0 0 0 0 0 0 0 0 5.6275 -9.9935 11.7989 O 0 0 0 0 0 0 0 0 0 6.6594 -9.2335 13.6069 N 0 0 0 0 0 0 0 0 0 7.9330 -7.4154 13.4497 C 0 0 0 0 0 0 0 0 0 9.9092 -3.1276 10.2333 N 0 0 0 0 0 0 0 0 0 9.3603 -2.8283 8.9278 C 0 0 0 0 0 0 0 0 0 10.1804 -3.5234 7.8426 C 0 0 0 0 0 0 0 0 0 9.4919 -3.1526 6.2204 Cl 0 0 0 0 0 0 0 0 0 10.9749 -2.2580 10.6837 C 0 0 0 0 0 0 0 0 0 10.3989 -1.1157 11.5190 C 0 0 0 0 0 0 0 0 0 11.7264 -0.0364 12.0797 Cl 0 0 0 0 0 0 0 0 0 9.7770 -5.3917 14.5852 C 0 0 0 0 0 0 0 0 0 4.3265 -15.5041 9.6271 H 0 0 0 0 0 0 0 0 0 2.6430 -11.6447 9.3955 H 0 0 0 0 0 0 0 0 0 6.6162 -13.3609 14.5237 H 0 0 0 0 0 0 0 0 0 3.6937 -11.0535 11.4879 H 0 0 0 0 0 0 0 0 0 7.4820 -6.9076 10.8449 H 0 0 0 0 0 0 0 0 0 10.4527 -3.5963 12.7784 H 0 0 0 0 0 0 0 0 0 8.3117 -5.1233 9.4756 H 0 0 0 0 0 0 0 0 0 2.3268 -13.2762 7.8145 H 0 0 0 0 0 0 0 0 0 4.1330 -11.0213 13.8193 H 0 0 0 0 0 0 0 0 0 5.6007 -11.2836 14.7260 H 0 0 0 0 0 0 0 0 0 6.8410 -9.3444 14.5540 H 0 0 0 0 0 0 0 0 0 8.1919 -7.4773 14.4648 H 0 0 0 0 0 0 0 0 0 8.3233 -3.1197 8.8489 H 0 0 0 0 0 0 0 0 0 9.3954 -1.7634 8.7434 H 0 0 0 0 0 0 0 0 0 11.2015 -3.1730 7.8794 H 0 0 0 0 0 0 0 0 0 10.1718 -4.5915 8.0008 H 0 0 0 0 0 0 0 0 0 11.7140 -2.8032 11.2533 H 0 0 0 0 0 0 0 0 0 11.4930 -1.8218 9.8403 H 0 0 0 0 0 0 0 0 0 9.7040 -0.5466 10.9195 H 0 0 0 0 0 0 0 0 0 9.8738 -1.5057 12.3775 H 0 0 0 0 0 0 0 0 0 10.3403 -6.2983 14.7531 H 0 0 0 0 0 0 0 0 0 10.4028 -4.5468 14.8348 H 0 0 0 0 0 0 0 0 0 8.9117 -5.3793 15.2318 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 23 1 0 0 0 0 2 24 2 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 19 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 8 34 1 0 0 0 0 9 20 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 32 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 25 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END > 79688 > K $$$$ 80087 1016 111283D 80087 36 38 0 2 V2000 0.1856 1.7090 -0.0807 C 0 0 0 0 0 0 0 0 0 0.1848 0.4015 0.3940 C 0 0 0 0 0 0 0 0 0 1.3547 2.1975 -0.6571 C 0 0 0 0 0 0 0 0 0 1.3220 -0.3893 0.3096 C 0 0 0 0 0 0 0 0 0 2.4985 1.4133 -0.7387 C 0 0 0 0 0 0 0 0 0 2.4977 0.1180 -0.2351 C 0 0 0 0 0 0 0 0 0 4.1307 -1.5257 0.7205 C 0 3 0 0 0 0 0 0 0 3.5646 -1.5701 1.9922 C 0 0 0 0 0 0 0 0 0 5.1493 -2.4759 0.7131 C 0 3 0 0 0 0 0 0 0 6.0411 -2.8621 -0.2843 C 0 0 0 0 0 0 0 0 0 6.9686 -3.8597 0.0050 C 0 0 0 0 0 0 0 0 0 4.2121 -2.5282 2.7557 C 0 0 0 0 0 0 0 0 0 5.1958 -3.0855 1.9586 C 0 3 0 0 0 0 0 0 0 7.0069 -4.4624 1.2601 C 0 0 0 0 0 0 0 0 0 6.1161 -4.0822 2.2580 C 0 0 0 0 0 0 0 0 0 -0.9366 2.4911 0.0183 N 0 0 0 0 0 0 0 0 0 -2.2519 1.9162 0.1842 C 0 0 0 0 0 0 0 0 0 -0.8582 3.9325 -0.0390 C 0 0 0 0 0 0 0 0 0 3.7559 -0.7130 -0.2879 C 0 0 0 0 0 0 0 0 0 -0.6849 0.0005 0.8255 H 0 0 0 0 0 0 0 0 0 1.3785 3.1753 -1.0405 H 0 0 0 0 0 0 0 0 0 1.2688 -1.3762 0.6640 H 0 0 0 0 0 0 0 0 0 3.3611 1.8172 -1.1835 H 0 0 0 0 0 0 0 0 0 2.7683 -0.9736 2.3423 H 0 0 0 0 0 0 0 0 0 6.0295 -2.4220 -1.2407 H 0 0 0 0 0 0 0 0 0 7.6538 -4.1666 -0.7338 H 0 0 0 0 0 0 0 0 0 3.9944 -2.7821 3.7556 H 0 0 0 0 0 0 0 0 0 7.7181 -5.2146 1.4556 H 0 0 0 0 0 0 0 0 0 6.1454 -4.5400 3.2068 H 0 0 0 0 0 0 0 0 0 -2.4299 1.7144 1.2310 H 0 0 0 0 0 0 0 0 0 -3.0180 2.5936 -0.1670 H 0 0 0 0 0 0 0 0 0 -2.3491 0.9988 -0.3784 H 0 0 0 0 0 0 0 0 0 0.0268 4.2921 0.4663 H 0 0 0 0 0 0 0 0 0 -0.8346 4.2507 -1.0718 H 0 0 0 0 0 0 0 0 0 -1.7144 4.3879 0.4396 H 0 0 0 0 0 0 0 0 0 4.3480 -0.6356 -1.1558 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 19 1 0 0 0 0 7 9 4 0 0 0 0 7 8 4 0 0 0 0 7 19 2 0 0 0 0 8 12 4 0 0 0 0 8 24 1 0 0 0 0 9 13 4 0 0 0 0 9 10 4 0 0 0 0 10 11 4 0 0 0 0 10 25 1 0 0 0 0 11 14 4 0 0 0 0 11 26 1 0 0 0 0 12 13 4 0 0 0 0 12 27 1 0 0 0 0 13 15 4 0 0 0 0 14 15 4 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 M CHG 3 7 1 9 1 13 1 M END > 80087 > K $$$$ 80396 1016 111283D 80396 25 26 0 1 V2000 3.8311 -1.3428 -3.4276 S 0 0 0 0 0 0 0 0 0 4.3447 -0.0962 -5.8440 C 0 0 0 0 0 0 0 0 0 4.1934 -0.0387 -4.4665 C 0 0 0 0 0 0 0 0 0 4.6392 1.0753 -6.5327 C 0 0 0 0 0 0 0 0 0 4.3341 1.1576 -3.7834 C 0 0 0 0 0 0 0 0 0 4.7787 2.2794 -5.8499 C 0 0 0 0 0 0 0 0 0 4.1544 1.0142 -2.4177 C 0 0 0 0 0 0 0 0 0 3.8718 -0.2995 -2.0725 C 0 0 0 0 0 0 0 0 0 4.6291 2.3286 -4.4694 C 0 0 0 0 0 0 0 0 0 4.2595 2.1535 -1.4415 C 0 0 0 0 0 0 0 0 0 4.0984 3.2920 -1.8072 O 0 0 0 0 0 0 0 0 0 4.5797 1.9164 -0.0040 C 0 0 0 0 0 0 0 0 0 6.0081 1.4774 -0.0603 C 0 0 0 0 0 0 0 0 0 6.2222 0.2889 -0.1305 O 0 0 0 0 0 0 0 0 0 7.1251 2.4909 -0.0419 C 0 0 0 0 0 0 0 0 0 7.0422 3.2953 -1.1608 F 0 0 0 0 0 0 0 0 0 7.0354 3.2933 1.0800 F 0 0 0 0 0 0 0 0 0 8.3597 1.8731 -0.0298 F 0 0 0 0 0 0 0 0 0 4.2379 -1.0075 -6.3544 H 0 0 0 0 0 0 0 0 0 4.7572 1.0521 -7.5759 H 0 0 0 0 0 0 0 0 0 4.9981 3.1599 -6.3789 H 0 0 0 0 0 0 0 0 0 3.6972 -0.6290 -1.0906 H 0 0 0 0 0 0 0 0 0 4.7388 3.2406 -3.9602 H 0 0 0 0 0 0 0 0 0 4.4758 2.8226 0.5755 H 0 0 0 0 0 0 0 0 0 3.9441 1.1442 0.3991 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END > 80396 > K $$$$ 80756 1016 111283D 80756 43 45 0 1 V2000 -1.6198 -4.7393 1.4323 N 0 0 0 0 0 0 0 0 0 -2.3968 -2.5329 1.2160 C 0 0 0 0 0 0 0 0 0 -2.1717 -1.1943 0.9296 C 0 0 0 0 0 0 0 0 0 -1.3522 -3.4452 1.1505 C 0 0 0 0 0 0 0 0 0 -0.0615 -3.0422 0.8038 C 0 0 0 0 0 0 0 0 0 -0.8975 -0.7775 0.5740 C 0 0 0 0 0 0 0 0 0 0.9555 -4.0011 0.7669 C 0 0 0 0 0 0 0 0 0 -0.6573 -5.6831 1.3914 C 0 0 0 0 0 0 0 0 0 0.6416 -5.3252 1.0628 C 0 0 0 0 0 0 0 0 0 0.1438 -1.6941 0.5099 C 0 0 0 0 0 0 0 0 0 4.7954 -4.0717 -0.1085 C 0 0 0 0 0 0 0 0 0 5.1983 -2.7408 -0.0699 C 0 0 0 0 0 0 0 0 0 5.7220 -5.0549 -0.4373 C 0 0 0 0 0 0 0 0 0 7.0318 -4.6861 -0.7307 C 0 0 0 0 0 0 0 0 0 6.5061 -2.3703 -0.3646 C 0 0 0 0 0 0 0 0 0 7.4326 -3.3535 -0.6990 C 0 0 0 0 0 0 0 0 0 6.9394 -1.0722 -0.3435 O 0 0 0 0 0 0 0 0 0 6.0202 -0.0326 -0.0691 C 0 0 0 0 0 0 0 0 0 3.3772 -4.4959 0.1967 C 0 0 0 0 0 0 0 0 0 2.3804 -3.6226 0.4156 C 0 0 0 0 0 0 0 0 0 8.7056 -2.9382 -0.9810 O 0 0 0 0 0 0 0 0 0 9.6820 -3.8819 -1.3724 C 0 0 0 0 0 0 0 0 0 5.2683 -6.3447 -0.4499 O 0 0 0 0 0 0 0 0 0 6.1757 -7.3930 -0.7312 C 0 0 0 0 0 0 0 0 0 -3.3585 -2.8590 1.4833 H 0 0 0 0 0 0 0 0 0 -2.9595 -0.5014 0.9813 H 0 0 0 0 0 0 0 0 0 -0.7191 0.2339 0.3526 H 0 0 0 0 0 0 0 0 0 -0.8926 -6.6837 1.6085 H 0 0 0 0 0 0 0 0 0 1.3746 -6.0744 1.0455 H 0 0 0 0 0 0 0 0 0 1.0862 -1.3324 0.2321 H 0 0 0 0 0 0 0 0 0 4.5113 -1.9960 0.1861 H 0 0 0 0 0 0 0 0 0 7.7295 -5.4250 -0.9802 H 0 0 0 0 0 0 0 0 0 6.5383 0.9124 -0.1406 H 0 0 0 0 0 0 0 0 0 5.2133 -0.0343 -0.7884 H 0 0 0 0 0 0 0 0 0 5.6245 -0.1311 0.9319 H 0 0 0 0 0 0 0 0 0 3.1817 -5.5259 0.2323 H 0 0 0 0 0 0 0 0 0 2.6046 -2.6067 0.3367 H 0 0 0 0 0 0 0 0 0 9.3742 -4.4023 -2.2682 H 0 0 0 0 0 0 0 0 0 10.6000 -3.3527 -1.5827 H 0 0 0 0 0 0 0 0 0 9.8674 -4.5877 -0.5754 H 0 0 0 0 0 0 0 0 0 6.5668 -7.2976 -1.7342 H 0 0 0 0 0 0 0 0 0 6.9868 -7.4002 -0.0167 H 0 0 0 0 0 0 0 0 0 5.6493 -8.3334 -0.6578 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 6 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 6 27 1 0 0 0 0 7 20 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 19 1 0 0 0 0 11 13 2 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 12 31 1 0 0 0 0 13 23 1 0 0 0 0 13 14 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 16 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > 80756 > K $$$$ 82025 1016 111283D 82025 34 35 0 2 V2000 0.4762 1.4877 0.0679 C 0 0 0 0 0 0 0 0 0 0.6255 2.0612 1.3272 C 0 0 0 0 0 0 0 0 0 0.5443 0.1115 -0.0848 C 0 0 0 0 0 0 0 0 0 0.7704 -0.6911 1.0230 C 0 0 0 0 0 0 0 0 0 0.8471 1.2531 2.4404 C 0 0 0 0 0 0 0 0 0 0.9267 -0.1349 2.2880 C 0 0 0 0 0 0 0 0 0 -0.0490 6.3995 1.8911 C 0 0 0 0 0 0 0 0 0 -0.1499 7.7789 2.0021 C 0 0 0 0 0 0 0 0 0 -0.0856 5.7585 0.6525 C 0 0 0 0 0 0 0 0 0 -0.2591 6.5466 -0.4914 C 0 0 0 0 0 0 0 0 0 -0.3158 8.5549 0.8653 C 0 0 0 0 0 0 0 0 0 -0.3700 7.9288 -0.3720 C 0 0 0 0 0 0 0 0 0 -0.4348 10.0492 0.9674 C 0 0 0 0 0 0 0 0 0 -0.3290 6.0403 -1.7612 N 0 3 0 0 0 0 0 0 0 -0.5443 6.8111 -2.7239 O 0 0 0 0 0 0 0 0 0 -0.1662 4.6259 -2.0913 O 0 5 0 0 0 0 0 0 0 0.0418 4.3932 0.5649 N 0 0 0 0 0 0 0 0 0 0.5528 3.5590 1.5170 C 0 0 0 0 0 0 0 0 0 0.9646 4.0278 2.5484 O 0 0 0 0 0 0 0 0 0 0.9678 1.9199 3.6223 O 0 0 0 0 0 0 0 0 0 1.1519 -1.0043 3.3167 N 0 3 0 0 0 0 0 0 0 1.2051 -2.2352 3.0955 O 0 0 0 0 0 0 0 0 0 1.3406 -0.5806 4.6973 O 0 5 0 0 0 0 0 0 0 0.3128 2.0816 -0.7836 H 0 0 0 0 0 0 0 0 0 0.4255 -0.3199 -1.0362 H 0 0 0 0 0 0 0 0 0 0.8233 -1.7327 0.8970 H 0 0 0 0 0 0 0 0 0 0.0539 5.8527 2.7789 H 0 0 0 0 0 0 0 0 0 -0.1011 8.2302 2.9506 H 0 0 0 0 0 0 0 0 0 -0.4974 8.5163 -1.2334 H 0 0 0 0 0 0 0 0 0 0.5008 10.5023 0.6722 H 0 0 0 0 0 0 0 0 0 -1.2215 10.4015 0.3160 H 0 0 0 0 0 0 0 0 0 -0.6634 10.3468 1.9809 H 0 0 0 0 0 0 0 0 0 -0.2564 3.9728 -0.2498 H 0 0 0 0 0 0 0 0 0 1.1286 1.3458 4.3632 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 6 2 0 0 0 0 4 26 1 0 0 0 0 5 20 1 0 0 0 0 5 6 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 17 1 0 0 0 0 9 10 2 0 0 0 0 10 14 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 M CHG 4 14 1 16 -1 21 1 23 -1 M END > 82025 > K $$$$ 82116 1016 111283D 82116 33 32 1 1 V2000 0.4140 5.7050 3.0748 N 0 0 0 0 0 0 0 0 0 1.9755 6.5397 0.8454 N 0 0 0 0 0 0 0 0 0 -0.7554 5.2897 6.3450 N 0 0 0 0 0 0 0 0 0 0.0168 5.7322 5.3222 C 0 0 0 0 0 0 0 0 0 1.2144 6.6936 5.6066 S 0 0 0 0 0 0 0 0 0 -0.2754 5.3217 4.0628 N 0 0 0 0 0 0 0 0 0 0.1613 5.3471 1.9010 C 0 0 0 0 0 0 0 0 0 0.9795 5.7825 0.7186 C 0 0 0 0 0 0 0 0 0 0.5439 5.2680 -0.6343 C 0 0 1 0 0 0 0 0 0 0.5656 3.8542 -0.7079 O 0 0 0 0 0 0 0 0 0 1.8448 3.2930 -0.4806 C 0 0 0 0 0 0 0 0 0 1.7231 1.7797 -0.5901 C 0 0 0 0 0 0 0 0 0 2.8423 6.7427 -0.0564 N 0 0 0 0 0 0 0 0 0 3.5291 7.9044 -0.1734 C 0 0 0 0 0 0 0 0 0 3.2978 9.0960 0.8085 S 0 0 0 0 0 0 0 0 0 -0.8835 5.7309 -0.9179 C 0 0 0 0 0 0 0 0 0 4.4327 8.0048 -1.1803 N 0 0 0 0 0 0 0 0 0 -0.5622 5.5674 7.2536 H 0 0 0 0 0 0 0 0 0 -1.5023 4.6959 6.1749 H 0 0 0 0 0 0 0 0 0 -1.0319 4.7235 3.9451 H 0 0 0 0 0 0 0 0 0 -0.6585 4.7146 1.7277 H 0 0 0 0 0 0 0 0 0 1.1499 5.6879 -1.4236 H 0 0 0 0 0 0 0 0 0 2.5623 3.6455 -1.2087 H 0 0 0 0 0 0 0 0 0 2.1961 3.5330 0.5139 H 0 0 0 0 0 0 0 0 0 2.6703 1.3206 -0.3475 H 0 0 0 0 0 0 0 0 0 0.9679 1.4320 0.0992 H 0 0 0 0 0 0 0 0 0 1.4392 1.5122 -1.5971 H 0 0 0 0 0 0 0 0 0 3.0468 6.0472 -0.7010 H 0 0 0 0 0 0 0 0 0 -0.9463 6.8062 -0.8269 H 0 0 0 0 0 0 0 0 0 -1.1624 5.4410 -1.9195 H 0 0 0 0 0 0 0 0 0 -1.5707 5.2736 -0.2219 H 0 0 0 0 0 0 0 0 0 4.5762 7.2618 -1.7868 H 0 0 0 0 0 0 0 0 0 4.9412 8.8213 -1.2991 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 9 16 1 6 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 M END > 82116 > K $$$$ 83265 1016 111283D 83265 47 49 1 1 V2000 2.0828 2.2844 1.1105 S 0 0 0 0 0 0 0 0 0 2.5130 0.8428 0.0968 C 0 0 0 0 0 0 0 0 0 1.6508 0.8225 -1.1390 C 0 0 0 0 0 0 0 0 0 2.1728 0.3762 -2.3385 C 0 0 0 0 0 0 0 0 0 1.3818 0.3576 -3.4723 C 0 0 0 0 0 0 0 0 0 0.0690 0.7849 -3.4062 C 0 0 0 0 0 0 0 0 0 -0.4533 1.2305 -2.2062 C 0 0 0 0 0 0 0 0 0 0.3361 1.2450 -1.0718 C 0 0 0 0 0 0 0 0 0 3.9634 0.9253 -0.3040 C 0 0 0 0 0 0 0 0 0 4.3922 1.9365 -1.1429 C 0 0 0 0 0 0 0 0 0 5.7228 2.0121 -1.5105 C 0 0 0 0 0 0 0 0 0 6.6243 1.0767 -1.0386 C 0 0 0 0 0 0 0 0 0 6.1956 0.0657 -0.1988 C 0 0 0 0 0 0 0 0 0 4.8663 -0.0074 0.1723 C 0 0 0 0 0 0 0 0 0 2.2820 -0.4168 0.8911 C 0 0 0 0 0 0 0 0 0 2.1065 -1.6226 0.2388 C 0 0 0 0 0 0 0 0 0 1.8946 -2.7784 0.9674 C 0 0 0 0 0 0 0 0 0 1.8588 -2.7279 2.3483 C 0 0 0 0 0 0 0 0 0 2.0353 -1.5218 3.0007 C 0 0 0 0 0 0 0 0 0 2.2514 -0.3673 2.2724 C 0 0 0 0 0 0 0 0 0 3.6966 2.6342 1.8615 C 0 0 0 0 0 0 0 0 0 3.5030 3.5088 3.1018 C 0 0 1 0 0 0 0 0 0 4.8380 3.7548 3.7563 C 0 0 0 0 0 0 0 0 0 5.2505 4.8835 3.8817 O 0 0 0 0 0 0 0 0 0 5.5689 2.7201 4.2000 O 0 0 0 0 0 0 0 0 0 2.9068 4.7923 2.7079 N 0 0 0 0 0 0 0 0 0 3.1986 0.0423 -2.3901 H 0 0 0 0 0 0 0 0 0 1.7899 0.0096 -4.4097 H 0 0 0 0 0 0 0 0 0 -0.5486 0.7710 -4.2921 H 0 0 0 0 0 0 0 0 0 -1.4790 1.5647 -2.1547 H 0 0 0 0 0 0 0 0 0 -0.0731 1.5895 -0.1336 H 0 0 0 0 0 0 0 0 0 3.6877 2.6674 -1.5115 H 0 0 0 0 0 0 0 0 0 6.0577 2.8019 -2.1667 H 0 0 0 0 0 0 0 0 0 7.6637 1.1354 -1.3264 H 0 0 0 0 0 0 0 0 0 6.9000 -0.6653 0.1696 H 0 0 0 0 0 0 0 0 0 4.5320 -0.7949 0.8314 H 0 0 0 0 0 0 0 0 0 2.1345 -1.6620 -0.8401 H 0 0 0 0 0 0 0 0 0 1.7567 -3.7204 0.4578 H 0 0 0 0 0 0 0 0 0 1.6925 -3.6306 2.9174 H 0 0 0 0 0 0 0 0 0 2.0070 -1.4824 4.0797 H 0 0 0 0 0 0 0 0 0 2.3931 0.5743 2.7823 H 0 0 0 0 0 0 0 0 0 4.1745 1.6976 2.1483 H 0 0 0 0 0 0 0 0 0 4.3262 3.1581 1.1422 H 0 0 0 0 0 0 0 0 0 2.8418 3.0015 3.8045 H 0 0 0 0 0 0 0 0 0 6.4255 2.8779 4.6199 H 0 0 0 0 0 0 0 0 0 2.8938 5.3716 3.5339 H 0 0 0 0 0 0 0 0 0 3.5496 5.2241 2.0610 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 26 1 6 0 0 0 22 23 1 0 0 0 0 22 44 1 1 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END > 83265 > K $$$$ 84074 1016 111283D 84074 44 46 1 2 V2000 -0.2372 0.9766 4.2135 P 0 5 1 0 0 0 0 0 0 -3.9387 3.6263 3.7208 C 0 0 0 0 0 0 0 0 0 -3.0831 3.8258 4.7878 C 0 0 0 0 0 0 0 0 0 -3.6779 2.6255 2.8033 C 0 0 0 0 0 0 0 0 0 -1.9653 3.0259 4.9365 C 0 0 0 0 0 0 0 0 0 -2.5602 1.8260 2.9517 C 0 0 0 0 0 0 0 0 0 -1.7038 2.0263 4.0184 C 0 0 0 0 0 0 0 0 0 -0.4908 -1.0092 2.2893 C 0 0 0 0 0 0 0 0 0 -0.2005 -1.6238 1.0858 C 0 0 0 0 0 0 0 0 0 0.1436 0.1701 2.6340 C 0 0 0 0 0 0 0 0 0 0.7239 -1.0593 0.2265 C 0 0 0 0 0 0 0 0 0 1.0674 0.7345 1.7748 C 0 0 0 0 0 0 0 0 0 1.3576 0.1197 0.5709 C 0 0 0 0 0 0 0 0 0 2.1968 1.4372 5.4680 C 0 0 0 0 0 0 0 0 0 3.2708 2.2143 5.8591 C 0 0 0 0 0 0 0 0 0 1.1723 1.9965 4.7269 C 0 0 0 0 0 0 0 0 0 1.2224 3.3327 4.3769 C 0 0 0 0 0 0 0 0 0 3.3204 3.5510 5.5097 C 0 0 0 0 0 0 0 0 0 2.2968 4.1100 4.7681 C 0 0 0 0 0 0 0 0 0 -0.5626 -0.2926 5.4809 C 0 0 0 0 0 0 0 0 0 -0.8374 0.3865 6.8242 C 0 0 0 0 0 0 0 0 0 -0.9986 -0.6785 7.9107 C 0 0 0 0 0 0 0 0 0 -1.3524 0.1942 9.6365 Br 0 0 0 0 0 0 0 0 0 -4.8142 4.2483 3.6072 H 0 0 0 0 0 0 0 0 0 -3.2866 4.6078 5.5043 H 0 0 0 0 0 0 0 0 0 -4.3466 2.4694 1.9698 H 0 0 0 0 0 0 0 0 0 -1.2963 3.1822 5.7697 H 0 0 0 0 0 0 0 0 0 -2.3561 1.0448 2.2345 H 0 0 0 0 0 0 0 0 0 -1.2161 -1.4477 2.9585 H 0 0 0 0 0 0 0 0 0 -0.6957 -2.5450 0.8167 H 0 0 0 0 0 0 0 0 0 0.9512 -1.5399 -0.7136 H 0 0 0 0 0 0 0 0 0 1.5628 1.6556 2.0440 H 0 0 0 0 0 0 0 0 0 2.0793 0.5610 -0.1006 H 0 0 0 0 0 0 0 0 0 2.1602 0.3919 5.7371 H 0 0 0 0 0 0 0 0 0 4.0709 1.7775 6.4384 H 0 0 0 0 0 0 0 0 0 0.4225 3.7694 3.7973 H 0 0 0 0 0 0 0 0 0 4.1596 4.1582 5.8153 H 0 0 0 0 0 0 0 0 0 2.3358 5.1541 4.4946 H 0 0 0 0 0 0 0 0 0 -1.4304 -0.8839 5.1886 H 0 0 0 0 0 0 0 0 0 0.3062 -0.9441 5.5743 H 0 0 0 0 0 0 0 0 0 -0.0034 1.0410 7.0777 H 0 0 0 0 0 0 0 0 0 -1.7523 0.9748 6.7535 H 0 0 0 0 0 0 0 0 0 -1.8324 -1.3331 7.6568 H 0 0 0 0 0 0 0 0 0 -0.0836 -1.2666 7.9817 H 0 0 0 0 0 0 0 0 0 1 20 1 1 0 0 0 1 16 1 6 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 24 1 0 0 0 0 3 5 2 0 0 0 0 3 25 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 M CHG 1 1 -1 M END > 84074 > K $$$$ 85236 1016 111283D 85236 37 39 1 1 V2000 2.1873 -0.4602 4.8650 O 0 0 0 0 0 0 0 0 0 -0.8376 -1.6120 2.9540 H 0 0 0 0 0 0 0 0 0 1.8393 -1.1941 -0.0580 H 0 0 0 0 0 0 0 0 0 0.0775 -0.3125 -1.0599 H 0 0 0 0 0 0 0 0 0 -0.0600 1.4279 -0.0775 O 0 0 0 0 0 0 0 0 0 1.5011 3.0655 -0.2036 O 0 0 0 0 0 0 0 0 0 -1.2214 -0.5976 0.5661 C 0 0 0 0 0 0 0 0 0 0.0541 0.0123 -0.0253 C 0 0 2 0 0 0 0 0 0 -1.6822 0.0006 1.9086 C 0 0 2 0 0 0 0 0 0 -0.8138 -0.5357 3.0609 C 0 0 2 0 0 0 0 0 0 -1.2290 -0.3711 4.5017 C 0 0 0 0 0 0 0 0 0 -0.1690 -0.3285 5.3134 C 0 0 0 0 0 0 0 0 0 1.4155 -0.4158 0.5616 C 0 0 2 0 0 0 0 0 0 0.6601 -0.0722 3.0450 C 0 0 1 0 0 0 0 0 0 1.0546 -0.3143 4.4704 C 0 0 0 0 0 0 0 0 0 1.4842 -0.8794 2.0242 C 0 0 1 0 0 0 0 0 0 2.1767 0.8458 0.3385 C 0 0 0 0 0 0 0 0 0 1.2060 1.9115 -0.0106 C 0 0 0 0 0 0 0 0 0 0.8415 1.4538 3.0118 C 0 0 0 0 0 0 0 0 0 -3.1657 -0.3234 2.1178 C 0 0 0 0 0 0 0 0 0 1.0568 -2.2275 2.0242 O 0 0 0 0 0 0 0 0 0 3.5048 0.9856 0.4395 C 0 0 0 0 0 0 0 0 0 -1.9962 -0.4070 -0.1643 H 0 0 0 0 0 0 0 0 0 -1.1080 -1.6702 0.6483 H 0 0 0 0 0 0 0 0 0 -1.6170 1.0769 1.8505 H 0 0 0 0 0 0 0 0 0 -2.2232 -0.3069 4.8332 H 0 0 0 0 0 0 0 0 0 -0.1857 -0.3054 6.3622 H 0 0 0 0 0 0 0 0 0 2.5203 -0.8530 2.3380 H 0 0 0 0 0 0 0 0 0 1.8939 1.6962 2.9639 H 0 0 0 0 0 0 0 0 0 0.3245 1.8890 2.1790 H 0 0 0 0 0 0 0 0 0 0.4211 1.9236 3.8910 H 0 0 0 0 0 0 0 0 0 -3.7450 0.0464 1.2831 H 0 0 0 0 0 0 0 0 0 -3.3178 -1.3894 2.2060 H 0 0 0 0 0 0 0 0 0 -3.5254 0.1645 3.0113 H 0 0 0 0 0 0 0 0 0 1.7350 -2.7860 1.6532 H 0 0 0 0 0 0 0 0 0 3.9499 1.9216 0.2702 H 0 0 0 0 0 0 0 0 0 4.1053 0.1604 0.6883 H 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 13 1 1 0 0 0 9 10 1 1 0 0 0 9 20 1 0 0 0 0 9 25 1 6 0 0 0 10 14 1 6 0 0 0 10 11 1 1 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 17 1 6 0 0 0 13 16 1 1 0 0 0 14 15 1 1 0 0 0 14 16 1 6 0 0 0 14 19 1 0 0 0 0 16 21 1 0 0 0 0 16 28 1 1 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END > 85236 > K $$$$ 85561 1016 111283D 85561 44 47 0 2 V2000 0.3179 0.7268 -0.8329 N 0 0 0 0 0 0 0 0 0 -0.1577 0.5542 -1.8102 N 0 0 0 0 0 0 0 0 0 5.0591 3.4866 -0.1050 C 0 0 0 0 0 0 0 0 0 3.8751 2.7850 -0.3023 C 0 0 0 0 0 0 0 0 0 5.7010 3.4385 1.1254 C 0 0 0 0 0 0 0 0 0 3.2310 2.8282 -1.5325 C 0 0 0 0 0 0 0 0 0 2.0425 2.1357 -1.7168 C 0 0 0 0 0 0 0 0 0 5.1628 2.6859 2.1604 C 0 0 0 0 0 0 0 0 0 3.3302 2.0336 0.7383 C 0 0 0 0 0 0 0 0 0 1.4912 1.3966 -0.6756 C 0 0 0 0 0 0 0 0 0 3.9804 1.9844 1.9661 C 0 0 0 0 0 0 0 0 0 2.1418 1.3351 0.5544 C 0 0 0 0 0 0 0 0 0 -1.3064 -0.1633 -1.8886 C 0 0 0 0 0 0 0 0 0 -2.4717 0.3396 -1.3242 C 0 0 0 0 0 0 0 0 0 -1.3045 -1.3952 -2.5360 C 0 0 0 0 0 0 0 0 0 -0.0866 -1.8683 -3.0141 C 0 0 0 0 0 0 0 0 0 -0.0180 -3.0656 -3.7022 C 0 0 0 0 0 0 0 0 0 -3.6135 -0.4423 -1.3753 C 0 0 0 0 0 0 0 0 0 -2.4817 -2.1361 -2.7004 C 0 0 0 0 0 0 0 0 0 -1.1919 -3.7497 -3.9637 C 0 0 0 0 0 0 0 0 0 -3.6127 -1.6751 -2.0155 C 0 0 0 0 0 0 0 0 0 -2.4206 -3.2684 -3.5252 C 0 0 0 0 0 0 0 0 0 -3.4602 -4.0100 -3.9971 N 0 3 0 0 0 0 0 0 0 -4.6351 -3.6043 -4.0486 O 0 0 0 0 0 0 0 0 0 -3.1811 -5.3563 -4.4859 O 0 5 0 0 0 0 0 0 0 -5.1706 -2.5229 -1.8280 S 0 0 0 0 0 0 0 0 0 -6.0280 -2.2463 -2.9363 O 0 0 0 0 0 0 0 0 0 -4.9660 -3.9246 -1.6496 O 0 0 0 0 0 0 0 0 0 -5.9045 -1.9611 -0.5307 O 0 0 0 0 0 0 0 0 0 1.6575 0.6084 1.6018 O 0 0 0 0 0 0 0 0 0 -2.4871 1.5674 -0.7352 O 0 0 0 0 0 0 0 0 0 5.4748 4.0567 -0.8837 H 0 0 0 0 0 0 0 0 0 6.5943 3.9713 1.2737 H 0 0 0 0 0 0 0 0 0 3.6379 3.3834 -2.3266 H 0 0 0 0 0 0 0 0 0 1.5585 2.1727 -2.6483 H 0 0 0 0 0 0 0 0 0 5.6493 2.6469 3.0906 H 0 0 0 0 0 0 0 0 0 3.5788 1.4153 2.7533 H 0 0 0 0 0 0 0 0 0 0.8006 -1.3271 -2.8578 H 0 0 0 0 0 0 0 0 0 0.9092 -3.4436 -4.0227 H 0 0 0 0 0 0 0 0 0 -4.4918 -0.0906 -0.9175 H 0 0 0 0 0 0 0 0 0 -1.1441 -4.6474 -4.5072 H 0 0 0 0 0 0 0 0 0 -6.7312 -2.4292 -0.5002 H 0 0 0 0 0 0 0 0 0 0.8560 0.1547 1.3631 H 0 0 0 0 0 0 0 0 0 -3.3614 1.8156 -0.4473 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 32 1 0 0 0 0 4 9 1 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 10 2 0 0 0 0 7 35 1 0 0 0 0 8 11 2 0 0 0 0 8 36 1 0 0 0 0 9 12 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 37 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 31 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 26 29 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 29 42 1 0 0 0 0 30 43 1 0 0 0 0 31 44 1 0 0 0 0 M CHG 2 23 1 25 -1 M END > 85561 > K $$$$ 85998 1016 111283D 85998 33 32 1 1 V2000 -3.3331 0.5844 -2.4468 C 0 0 1 0 0 0 0 0 0 -2.5840 1.2270 -1.4318 O 0 0 0 0 0 0 0 0 0 -4.7431 0.2181 -1.9583 C 0 0 1 0 0 0 0 0 0 -3.4064 1.4752 -3.6973 C 0 0 1 0 0 0 0 0 0 -4.1025 2.6750 -3.4117 O 0 0 0 0 0 0 0 0 0 -2.0090 1.7386 -4.2637 C 0 0 1 0 0 0 0 0 0 -1.3799 0.5166 -4.5972 O 0 0 0 0 0 0 0 0 0 -5.4010 -0.6371 -3.0022 C 0 0 0 0 0 0 0 0 0 -6.1419 -0.1316 -3.8110 O 0 0 0 0 0 0 0 0 0 -2.1343 2.6426 -5.4918 C 0 0 0 0 0 0 0 0 0 -4.7344 -0.5254 -0.7214 N 0 0 0 0 0 0 0 0 0 -2.9812 2.0177 -6.4341 O 0 0 0 0 0 0 0 0 0 -5.8010 -0.7841 0.0889 C 0 0 0 0 0 0 0 0 0 -5.5780 -1.5923 0.9565 O 0 0 0 0 0 0 0 0 0 -7.0603 -0.2562 0.0434 N 0 0 0 0 0 0 0 0 0 -7.9178 -0.8251 0.7651 N 0 0 0 0 0 0 0 0 0 -9.1227 -0.4885 0.7641 O 0 0 0 0 0 0 0 0 0 -7.4584 0.8787 -0.7483 C 0 0 0 0 0 0 0 0 0 -2.8124 -0.3285 -2.7031 H 0 0 0 0 0 0 0 0 0 -3.0837 1.9407 -1.0477 H 0 0 0 0 0 0 0 0 0 -5.2652 1.1560 -1.8665 H 0 0 0 0 0 0 0 0 0 -3.9522 0.9484 -4.4685 H 0 0 0 0 0 0 0 0 0 -3.5843 3.2289 -2.8376 H 0 0 0 0 0 0 0 0 0 -1.4160 2.2407 -3.5119 H 0 0 0 0 0 0 0 0 0 -1.7914 0.1545 -5.3791 H 0 0 0 0 0 0 0 0 0 -5.2117 -1.6703 -3.0300 H 0 0 0 0 0 0 0 0 0 -2.5440 3.5988 -5.1946 H 0 0 0 0 0 0 0 0 0 -1.1533 2.7919 -5.9208 H 0 0 0 0 0 0 0 0 0 -3.8892 -0.8970 -0.4213 H 0 0 0 0 0 0 0 0 0 -3.1467 2.6195 -7.1537 H 0 0 0 0 0 0 0 0 0 -8.4597 1.1980 -0.4971 H 0 0 0 0 0 0 0 0 0 -6.8020 1.7126 -0.5476 H 0 0 0 0 0 0 0 0 0 -7.4500 0.6299 -1.7990 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 6 0 0 0 1 3 1 0 0 0 0 1 19 1 1 0 0 0 2 20 1 0 0 0 0 3 11 1 6 0 0 0 3 8 1 1 0 0 0 3 21 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 1 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 1 0 0 0 6 10 1 6 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END > 85998 > K $$$$ 86100 1016 111283D 86100 32 35 0 1 V2000 -0.0853 1.1342 0.3140 N 0 0 0 0 0 0 0 0 0 4.9017 -2.8482 -0.0072 N 0 0 0 0 0 0 0 0 0 5.8210 -2.6370 0.2177 H 0 0 0 0 0 0 0 0 0 3.7315 -0.6696 0.4734 C 0 0 0 0 0 0 0 0 0 2.4719 -0.0640 0.4792 C 0 0 0 0 0 0 0 0 0 3.8102 -1.9985 0.0731 C 0 0 0 0 0 0 0 0 0 2.2765 1.3661 0.9272 C 0 0 0 0 0 0 0 0 0 1.0623 1.9968 0.2470 C 0 0 0 0 0 0 0 0 0 2.6844 -2.6930 -0.3337 C 0 0 0 0 0 0 0 0 0 1.3411 -0.7755 0.0698 C 0 0 0 0 0 0 0 0 0 1.4339 -2.0975 -0.3498 C 0 0 0 0 0 0 0 0 0 3.0721 -3.9747 -0.6773 C 0 0 0 0 0 0 0 0 0 5.1188 -5.2445 -0.7235 C 0 0 0 0 0 0 0 0 0 4.3932 -6.3347 -1.1946 C 0 0 0 0 0 0 0 0 0 4.4364 -4.0642 -0.4702 C 0 0 0 0 0 0 0 0 0 3.0193 -6.2402 -1.4060 C 0 0 0 0 0 0 0 0 0 2.3394 -5.0538 -1.1496 C 0 0 0 0 0 0 0 0 0 -0.0025 -0.0960 0.0865 C 0 0 0 0 0 0 0 0 0 4.9842 0.0608 0.8815 C 0 0 0 0 0 0 0 0 0 2.1089 1.3638 1.9938 H 0 0 0 0 0 0 0 0 0 3.1309 1.9857 0.7050 H 0 0 0 0 0 0 0 0 0 1.2988 2.1571 -0.7971 H 0 0 0 0 0 0 0 0 0 0.8326 2.9534 0.6930 H 0 0 0 0 0 0 0 0 0 0.5865 -2.6295 -0.6688 H 0 0 0 0 0 0 0 0 0 6.1542 -5.3102 -0.5633 H 0 0 0 0 0 0 0 0 0 4.8872 -7.2402 -1.3932 H 0 0 0 0 0 0 0 0 0 2.4897 -7.0742 -1.7633 H 0 0 0 0 0 0 0 0 0 1.3042 -4.9776 -1.3086 H 0 0 0 0 0 0 0 0 0 -0.8758 -0.6534 -0.0864 H 0 0 0 0 0 0 0 0 0 5.0497 0.0770 1.9593 H 0 0 0 0 0 0 0 0 0 5.8603 -0.4283 0.4830 H 0 0 0 0 0 0 0 0 0 4.9849 1.0726 0.5069 H 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 15 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 24 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 86100 > K $$$$ 87206 1016 111283D 87206 30 33 0 1 V2000 -0.0450 1.2383 0.0789 N 0 0 0 0 0 0 0 0 0 4.8239 -2.8311 -0.1325 N 0 0 0 0 0 0 0 0 0 5.7613 -2.5871 -0.1739 H 0 0 0 0 0 0 0 0 0 3.6899 -0.5815 -0.0951 C 0 0 0 0 0 0 0 0 0 2.4353 0.0321 -0.0353 C 0 0 0 0 0 0 0 0 0 3.7388 -1.9706 -0.0894 C 0 0 0 0 0 0 0 0 0 2.3153 1.4193 -0.0310 C 0 0 0 0 0 0 0 0 0 1.0618 2.0112 0.0256 C 0 0 0 0 0 0 0 0 0 2.5817 -2.7276 -0.0341 C 0 0 0 0 0 0 0 0 0 1.2706 -0.7415 0.0215 C 0 0 0 0 0 0 0 0 0 1.3322 -2.1318 0.0221 C 0 0 0 0 0 0 0 0 0 2.9421 -4.0628 -0.0471 C 0 0 0 0 0 0 0 0 0 4.9893 -5.3331 -0.1282 C 0 0 0 0 0 0 0 0 0 4.2301 -6.4987 -0.0930 C 0 0 0 0 0 0 0 0 0 4.3226 -4.1176 -0.1054 C 0 0 0 0 0 0 0 0 0 2.8391 -6.4418 -0.0369 C 0 0 0 0 0 0 0 0 0 2.1758 -5.2189 -0.0129 C 0 0 0 0 0 0 0 0 0 0.0329 -0.1117 0.0782 C 0 0 0 0 0 0 0 0 0 4.9651 0.2179 -0.1645 C 0 0 0 0 0 0 0 0 0 3.1635 2.0361 -0.0700 H 0 0 0 0 0 0 0 0 0 0.9719 3.0580 0.0270 H 0 0 0 0 0 0 0 0 0 0.4618 -2.7185 0.0639 H 0 0 0 0 0 0 0 0 0 6.0376 -5.3685 -0.1708 H 0 0 0 0 0 0 0 0 0 4.7117 -7.4322 -0.1090 H 0 0 0 0 0 0 0 0 0 2.2842 -7.3334 -0.0123 H 0 0 0 0 0 0 0 0 0 1.1274 -5.1731 0.0297 H 0 0 0 0 0 0 0 0 0 -0.8511 -0.6780 0.1210 H 0 0 0 0 0 0 0 0 0 5.0643 0.8161 0.7294 H 0 0 0 0 0 0 0 0 0 5.8316 -0.4194 -0.2476 H 0 0 0 0 0 0 0 0 0 4.9375 0.8663 -1.0280 H 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 15 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 87206 > K $$$$ 89303 1016 111283D 89303 15 15 0 1 V2000 0.0358 -0.0232 0.0006 O 0 0 0 0 0 0 0 0 0 -0.0181 1.1842 0.0060 C 0 0 0 0 0 0 0 0 0 1.3150 1.8639 -0.0009 C 0 0 0 0 0 0 0 0 0 1.5813 3.1753 0.0046 C 0 0 0 0 0 0 0 0 0 -1.3853 1.8150 0.0183 C 0 0 0 0 0 0 0 0 0 0.6167 4.3228 0.0197 C 0 0 0 0 0 0 0 0 0 -1.6606 3.1283 0.0280 C 0 0 0 0 0 0 0 0 0 -0.7222 4.3009 0.0297 C 0 0 0 0 0 0 0 0 0 -2.4284 0.9341 0.0194 O 0 0 0 0 0 0 0 0 0 2.1438 1.2192 -0.0113 H 0 0 0 0 0 0 0 0 0 2.5991 3.4371 -0.0027 H 0 0 0 0 0 0 0 0 0 1.0571 5.2772 0.0230 H 0 0 0 0 0 0 0 0 0 -2.6788 3.3840 0.0357 H 0 0 0 0 0 0 0 0 0 -1.1876 5.2432 0.0401 H 0 0 0 0 0 0 0 0 0 -3.2793 1.3571 0.0266 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M END > 89303 > K $$$$ 89671 1016 111283D 89671 44 45 1 1 V2000 -1.1130 -0.3139 0.0593 H 0 0 0 0 0 0 0 0 0 -0.2355 1.4887 0.2321 O 0 0 0 0 0 0 0 0 0 1.9718 1.6126 -0.0111 O 0 0 0 0 0 0 0 0 0 0.9267 3.6803 0.4025 C 0 0 0 0 0 0 0 0 0 -0.0045 4.1439 0.5368 H 0 0 0 0 0 0 0 0 0 3.8340 -0.3865 -0.1058 H 0 0 0 0 0 0 0 0 0 2.0337 4.4417 0.4289 C 0 0 0 0 0 0 0 0 0 3.6410 -0.4350 0.9265 C 0 0 0 0 0 0 0 0 0 4.1201 4.7149 0.1615 H 0 0 0 0 0 0 0 0 0 1.9267 5.4756 0.5796 H 0 0 0 0 0 0 0 0 0 4.0073 0.5800 1.7214 C 0 0 0 0 0 0 0 0 0 3.8236 0.5159 2.7541 H 0 0 0 0 0 0 0 0 0 2.9025 2.7418 1.9978 H 0 0 0 0 0 0 0 0 0 4.8300 1.7312 0.1150 H 0 0 0 0 0 0 0 0 0 6.2760 4.0789 1.1057 H 0 0 0 0 0 0 0 0 0 4.6713 1.8207 1.1808 C 0 0 2 0 0 0 0 0 0 6.0192 2.0714 1.8629 C 0 0 0 0 0 0 0 0 0 6.0691 3.5835 2.0462 C 0 0 1 0 0 0 0 0 0 4.6399 3.8617 2.4913 C 0 0 0 0 0 0 0 0 0 3.8072 3.0539 1.4945 C 0 0 1 0 0 0 0 0 0 3.4263 3.8902 0.2574 C 0 0 1 0 0 0 0 0 0 2.9472 -1.6480 1.4892 C 0 0 0 0 0 0 0 0 0 1.5561 -1.7842 0.8633 C 0 0 0 0 0 0 0 0 0 0.6615 -0.5727 1.1816 C 0 0 0 0 0 0 0 0 0 -0.1104 0.0887 0.0229 C 0 0 2 0 0 0 0 0 0 0.9333 2.1916 0.1919 C 0 0 0 0 0 0 0 0 0 0.3783 -0.1992 -1.4023 C 0 0 0 0 0 0 0 0 0 3.5038 3.1543 -0.9428 O 0 0 0 0 0 0 0 0 0 6.9807 3.9761 3.0457 O 0 0 0 0 0 0 0 0 0 6.0445 1.6139 2.8425 H 0 0 0 0 0 0 0 0 0 6.8487 1.7076 1.2739 H 0 0 0 0 0 0 0 0 0 4.5014 3.4662 3.4882 H 0 0 0 0 0 0 0 0 0 4.4053 4.9164 2.4899 H 0 0 0 0 0 0 0 0 0 3.5340 -2.5262 1.2584 H 0 0 0 0 0 0 0 0 0 2.8488 -1.5726 2.5635 H 0 0 0 0 0 0 0 0 0 1.7047 -1.9099 -0.1972 H 0 0 0 0 0 0 0 0 0 1.0826 -2.6810 1.2371 H 0 0 0 0 0 0 0 0 0 -0.0484 -0.8628 1.9423 H 0 0 0 0 0 0 0 0 0 1.2699 0.1906 1.6396 H 0 0 0 0 0 0 0 0 0 -0.1975 0.3910 -2.0998 H 0 0 0 0 0 0 0 0 0 1.4245 0.0459 -1.5145 H 0 0 0 0 0 0 0 0 0 0.2335 -1.2437 -1.6377 H 0 0 0 0 0 0 0 0 0 3.3162 3.7211 -1.6833 H 0 0 0 0 0 0 0 0 0 7.8641 3.7795 2.7513 H 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 26 2 0 0 0 0 4 7 2 0 0 0 0 4 26 1 0 0 0 0 4 5 1 0 0 0 0 6 8 1 0 0 0 0 7 21 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 22 1 0 0 0 0 9 21 1 0 0 0 0 11 16 1 0 0 0 0 11 12 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 29 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 6 0 0 0 21 28 1 6 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 27 1 6 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 M END > 89671 > K $$$$ 90487 1016 111283D 90487 81 85 1 1 V2000 5.8909 6.7841 0.9838 H 0 0 0 0 0 0 0 0 0 4.4313 5.0445 0.9123 H 0 0 0 0 0 0 0 0 0 3.3131 2.5028 -1.7377 H 0 0 0 0 0 0 0 0 0 3.9316 0.5936 0.4668 H 0 0 0 0 0 0 0 0 0 2.2332 0.0948 -0.6800 C 0 0 2 0 0 0 0 0 0 2.6235 -1.3453 -1.0470 C 0 0 0 0 0 0 0 0 0 4.1493 -1.3490 -1.1695 C 0 0 0 0 0 0 0 0 0 3.5778 0.8174 -0.5285 C 0 0 1 0 0 0 0 0 0 4.4786 0.0973 -1.5407 C 0 0 1 0 0 0 0 0 0 3.6534 2.3405 -0.7283 C 0 0 1 0 0 0 0 0 0 2.6720 3.1042 0.1661 C 0 0 0 0 0 0 0 0 0 2.6926 4.6003 -0.1515 C 0 0 0 0 0 0 0 0 0 5.9276 0.5148 -1.2597 C 0 0 0 0 0 0 0 0 0 5.0984 2.8959 -0.5745 C 0 0 1 0 0 0 0 0 0 4.1057 5.2157 -0.1012 C 0 0 1 0 0 0 0 0 0 6.0871 2.0365 -1.4085 C 0 0 0 0 0 0 0 0 0 5.0963 4.4113 -0.9961 C 0 0 1 0 0 0 0 0 0 4.1408 6.7724 -0.1998 C 0 0 1 0 0 0 0 0 0 3.3055 7.3621 0.9595 C 0 0 0 0 0 0 0 0 0 3.4846 8.8692 1.1709 C 0 0 0 0 0 0 0 0 0 6.5008 5.0313 -0.8386 C 0 0 0 0 0 0 0 0 0 5.6109 7.2173 0.0321 C 0 0 1 0 0 0 0 0 0 4.9556 9.2180 1.3921 C 0 0 1 0 0 0 0 0 0 6.5574 6.5545 -0.9814 C 0 0 0 0 0 0 0 0 0 5.8586 8.7330 0.2442 C 0 0 0 0 0 0 0 0 0 5.0883 10.6151 1.5406 O 0 0 0 0 0 0 0 0 0 7.3011 8.9892 0.7153 C 0 0 0 0 0 0 0 0 0 5.6636 9.5974 -1.0112 C 0 0 0 0 0 0 0 0 0 3.5247 7.2951 -1.5158 C 0 0 0 0 0 0 0 0 0 0.0712 0.4837 0.4556 C 0 0 0 0 0 0 0 0 0 4.7344 4.5689 -2.4928 C 0 0 0 0 0 0 0 0 0 5.5859 2.6941 0.8839 C 0 0 0 0 0 0 0 0 0 1.3572 0.1188 0.5498 C 0 0 0 0 0 0 0 0 0 1.9173 -0.2665 1.8924 C 0 0 0 0 0 0 0 0 0 4.1401 0.3212 -3.0295 C 0 0 0 0 0 0 0 0 0 1.7082 0.5317 -1.5187 H 0 0 0 0 0 0 0 0 0 2.3103 -2.0726 -0.3112 H 0 0 0 0 0 0 0 0 0 2.1736 -1.6005 -1.9959 H 0 0 0 0 0 0 0 0 0 4.5792 -1.5856 -0.2057 H 0 0 0 0 0 0 0 0 0 4.4989 -2.0642 -1.9003 H 0 0 0 0 0 0 0 0 0 1.6684 2.7472 -0.0088 H 0 0 0 0 0 0 0 0 0 2.9077 2.9438 1.2076 H 0 0 0 0 0 0 0 0 0 2.2582 4.7342 -1.1299 H 0 0 0 0 0 0 0 0 0 2.0465 5.0782 0.5687 H 0 0 0 0 0 0 0 0 0 6.2076 0.2155 -0.2604 H 0 0 0 0 0 0 0 0 0 6.5929 0.0149 -1.9494 H 0 0 0 0 0 0 0 0 0 7.1046 2.2949 -1.1515 H 0 0 0 0 0 0 0 0 0 5.9792 2.2351 -2.4597 H 0 0 0 0 0 0 0 0 0 2.2536 7.1832 0.7902 H 0 0 0 0 0 0 0 0 0 3.5835 6.8745 1.8837 H 0 0 0 0 0 0 0 0 0 3.1073 9.4302 0.3303 H 0 0 0 0 0 0 0 0 0 2.9213 9.1681 2.0428 H 0 0 0 0 0 0 0 0 0 6.8849 4.8286 0.1483 H 0 0 0 0 0 0 0 0 0 7.1816 4.5924 -1.5541 H 0 0 0 0 0 0 0 0 0 5.2718 8.7323 2.3068 H 0 0 0 0 0 0 0 0 0 7.5788 6.8381 -0.7805 H 0 0 0 0 0 0 0 0 0 6.3280 6.8609 -1.9897 H 0 0 0 0 0 0 0 0 0 4.6274 10.8957 2.3244 H 0 0 0 0 0 0 0 0 0 7.4202 10.0245 1.0028 H 0 0 0 0 0 0 0 0 0 7.5368 8.3687 1.5680 H 0 0 0 0 0 0 0 0 0 8.0110 8.7843 -0.0722 H 0 0 0 0 0 0 0 0 0 5.9471 10.6188 -0.8002 H 0 0 0 0 0 0 0 0 0 6.2798 9.2309 -1.8190 H 0 0 0 0 0 0 0 0 0 4.6368 9.6120 -1.3341 H 0 0 0 0 0 0 0 0 0 2.7812 6.6157 -1.8998 H 0 0 0 0 0 0 0 0 0 3.0232 8.2396 -1.3835 H 0 0 0 0 0 0 0 0 0 4.2747 7.4499 -2.2736 H 0 0 0 0 0 0 0 0 0 -0.3388 0.7534 -0.4732 H 0 0 0 0 0 0 0 0 0 -0.5383 0.5025 1.3111 H 0 0 0 0 0 0 0 0 0 4.8323 5.5840 -2.8270 H 0 0 0 0 0 0 0 0 0 5.3981 4.0081 -3.1288 H 0 0 0 0 0 0 0 0 0 3.7224 4.2636 -2.7030 H 0 0 0 0 0 0 0 0 0 5.5410 1.6602 1.1835 H 0 0 0 0 0 0 0 0 0 6.6169 2.9914 0.9960 H 0 0 0 0 0 0 0 0 0 5.0014 3.2440 1.6020 H 0 0 0 0 0 0 0 0 0 1.1594 -0.7432 2.4971 H 0 0 0 0 0 0 0 0 0 2.7464 -0.9487 1.7755 H 0 0 0 0 0 0 0 0 0 2.2657 0.6224 2.3976 H 0 0 0 0 0 0 0 0 0 4.8026 -0.2743 -3.6409 H 0 0 0 0 0 0 0 0 0 3.1247 0.0330 -3.2548 H 0 0 0 0 0 0 0 0 0 4.2549 1.3545 -3.3163 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 5 33 1 1 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 6 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 9 13 1 1 0 0 0 9 35 1 6 0 0 0 10 14 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 15 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 16 1 6 0 0 0 14 32 1 1 0 0 0 15 17 1 6 0 0 0 15 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 21 1 1 0 0 0 17 31 1 6 0 0 0 18 22 1 0 0 0 0 18 19 1 1 0 0 0 18 29 1 6 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 24 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 25 1 0 0 0 0 22 24 1 6 0 0 0 23 26 1 0 0 0 0 23 25 1 6 0 0 0 23 55 1 1 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 33 2 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 33 34 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 M END > 90487 > K $$$$ 90636 1016 111283D 90636 115124 1 1 V2000 29.9164 -10.6850 19.8820 N 0 0 0 0 0 0 0 0 0 29.0249 -10.4468 19.5791 H 0 0 0 0 0 0 0 0 0 34.3438 -11.2316 17.9373 N 0 0 0 0 0 0 0 0 0 32.4140 -9.9831 15.6442 H 0 0 0 0 0 0 0 0 0 34.5203 -8.5144 17.7414 O 0 0 0 0 0 0 0 0 0 34.9062 -5.3129 21.0189 N 0 0 0 0 0 0 0 0 0 35.5427 -5.8796 22.8382 H 0 0 0 0 0 0 0 0 0 31.7148 -6.9437 24.1254 N 0 0 0 0 0 0 0 0 0 31.3458 -5.9602 22.4250 H 0 0 0 0 0 0 0 0 0 35.5464 -10.6379 17.3552 C 0 0 0 0 0 0 0 0 0 35.2873 -9.2375 16.8158 C 0 0 1 0 0 0 0 0 0 33.8485 -8.8238 16.5411 C 0 0 1 0 0 0 0 0 0 32.6785 -9.8044 16.6770 C 0 0 2 0 0 0 0 0 0 31.3621 -9.2142 17.2359 C 0 0 0 0 0 0 0 0 0 31.1722 -8.7805 18.7094 C 0 0 1 0 0 0 0 0 0 31.1016 -10.0255 19.5741 C 0 0 0 0 0 0 0 0 0 34.3352 -11.5249 19.3657 C 0 0 0 0 0 0 0 0 0 33.6152 -10.4395 20.1654 C 0 0 0 0 0 0 0 0 0 32.1371 -10.7155 20.1974 C 0 0 0 0 0 0 0 0 0 31.5736 -11.7686 20.9000 C 0 0 0 0 0 0 0 0 0 32.1543 -12.7439 21.6995 C 0 0 0 0 0 0 0 0 0 31.3254 -13.6945 22.2876 C 0 0 0 0 0 0 0 0 0 30.2094 -11.7466 20.7005 C 0 0 0 0 0 0 0 0 0 29.9483 -13.6672 22.0799 C 0 0 0 0 0 0 0 0 0 29.3717 -12.6869 21.2793 C 0 0 0 0 0 0 0 0 0 31.0949 -6.6381 25.4085 C 0 0 0 0 0 0 0 0 0 31.6354 -5.3721 26.0020 C 0 0 0 0 0 0 0 0 0 32.0561 -4.3671 25.2230 C 0 0 0 0 0 0 0 0 0 31.9946 -4.4323 23.7131 C 0 0 2 0 0 0 0 0 0 32.1002 -5.8846 23.1925 C 0 0 1 0 0 0 0 0 0 33.4447 -6.3716 22.5995 C 0 0 2 0 0 0 0 0 0 33.0683 -3.5250 23.0824 C 0 0 2 0 0 0 0 0 0 34.6527 -5.4078 22.4454 C 0 0 2 0 0 0 0 0 0 33.1663 -6.6954 21.1566 C 0 0 0 0 0 0 0 0 0 32.2394 -7.5828 20.6301 C 0 0 0 0 0 0 0 0 0 32.0865 -7.6977 19.2489 C 0 0 0 0 0 0 0 0 0 33.9719 -5.9733 20.3092 C 0 0 0 0 0 0 0 0 0 32.7726 -6.8141 18.4142 C 0 0 0 0 0 0 0 0 0 34.4779 -4.1128 23.2543 C 0 0 2 0 0 0 0 0 0 33.7648 -5.9926 18.9402 C 0 0 0 0 0 0 0 0 0 32.5453 -8.1310 23.9866 C 0 0 0 0 0 0 0 0 0 33.0973 -11.1975 17.1760 C 0 0 0 0 0 0 0 0 0 33.8532 -7.5612 23.4689 C 0 0 0 0 0 0 0 0 0 29.5522 -7.3292 19.9137 O 0 0 0 0 0 0 0 0 0 28.2581 -6.7651 19.8849 C 0 0 0 0 0 0 0 0 0 29.7953 -8.1898 18.8841 C 0 0 0 0 0 0 0 0 0 28.9054 -8.4828 18.1185 O 0 0 0 0 0 0 0 0 0 32.4789 -6.7610 17.0825 O 0 0 0 0 0 0 0 0 0 32.3168 -5.4718 16.5215 C 0 0 0 0 0 0 0 0 0 36.4359 -8.3332 16.3700 C 0 0 0 0 0 0 0 0 0 37.2373 -8.9419 15.2222 C 0 0 0 0 0 0 0 0 0 36.0068 -4.6288 20.3867 C 0 0 0 0 0 0 0 0 0 34.6789 -4.4307 24.6245 O 0 0 0 0 0 0 0 0 0 35.5065 -3.1274 22.7563 C 0 0 0 0 0 0 0 0 0 35.2212 -2.3104 21.9118 O 0 0 0 0 0 0 0 0 0 30.5960 -3.8310 23.4451 C 0 0 0 0 0 0 0 0 0 30.1795 -3.6165 21.9876 C 0 0 0 0 0 0 0 0 0 36.7756 -3.1617 23.2534 O 0 0 0 0 0 0 0 0 0 37.5473 -2.0467 22.8492 C 0 0 0 0 0 0 0 0 0 32.9759 -2.2657 23.7354 O 0 0 0 0 0 0 0 0 0 32.9906 -1.1737 22.9260 C 0 0 0 0 0 0 0 0 0 32.8166 -1.2695 21.7346 O 0 0 0 0 0 0 0 0 0 33.2242 0.1722 23.5315 C 0 0 0 0 0 0 0 0 0 36.3392 -10.5679 18.0859 H 0 0 0 0 0 0 0 0 0 35.8858 -11.2588 16.5398 H 0 0 0 0 0 0 0 0 0 33.7419 -7.9956 15.8555 H 0 0 0 0 0 0 0 0 0 31.1128 -8.3658 16.6150 H 0 0 0 0 0 0 0 0 0 30.5990 -9.9531 17.0332 H 0 0 0 0 0 0 0 0 0 33.8739 -12.4885 19.5259 H 0 0 0 0 0 0 0 0 0 35.3516 -11.5935 19.7263 H 0 0 0 0 0 0 0 0 0 33.9755 -10.4601 21.1831 H 0 0 0 0 0 0 0 0 0 33.8505 -9.4766 19.7417 H 0 0 0 0 0 0 0 0 0 33.1921 -12.7656 21.8584 H 0 0 0 0 0 0 0 0 0 31.7432 -14.4423 22.8956 H 0 0 0 0 0 0 0 0 0 29.3383 -14.3932 22.5320 H 0 0 0 0 0 0 0 0 0 28.3351 -12.6557 21.1154 H 0 0 0 0 0 0 0 0 0 30.0341 -6.5114 25.2524 H 0 0 0 0 0 0 0 0 0 31.2383 -7.4489 26.1089 H 0 0 0 0 0 0 0 0 0 31.6810 -5.2712 27.0465 H 0 0 0 0 0 0 0 0 0 32.4340 -3.5003 25.6816 H 0 0 0 0 0 0 0 0 0 32.8857 -3.4583 22.0186 H 0 0 0 0 0 0 0 0 0 31.6549 -8.1676 21.2753 H 0 0 0 0 0 0 0 0 0 34.3522 -5.3925 18.3139 H 0 0 0 0 0 0 0 0 0 32.7014 -8.6632 24.9141 H 0 0 0 0 0 0 0 0 0 32.1100 -8.8016 23.2608 H 0 0 0 0 0 0 0 0 0 33.2735 -11.8105 16.3032 H 0 0 0 0 0 0 0 0 0 32.2869 -11.6613 17.7195 H 0 0 0 0 0 0 0 0 0 34.4427 -8.2899 22.9310 H 0 0 0 0 0 0 0 0 0 34.4085 -7.2004 24.3238 H 0 0 0 0 0 0 0 0 0 28.0626 -6.3003 18.9284 H 0 0 0 0 0 0 0 0 0 27.5146 -7.5260 20.0756 H 0 0 0 0 0 0 0 0 0 28.1899 -6.0099 20.6544 H 0 0 0 0 0 0 0 0 0 31.4927 -4.9621 17.0006 H 0 0 0 0 0 0 0 0 0 33.2092 -4.8696 16.6022 H 0 0 0 0 0 0 0 0 0 32.0855 -5.5837 15.4723 H 0 0 0 0 0 0 0 0 0 36.0368 -7.3813 16.0502 H 0 0 0 0 0 0 0 0 0 37.0897 -8.1590 17.2128 H 0 0 0 0 0 0 0 0 0 37.7038 -9.8610 15.5451 H 0 0 0 0 0 0 0 0 0 36.5858 -9.1428 14.3845 H 0 0 0 0 0 0 0 0 0 38.0057 -8.2472 14.9146 H 0 0 0 0 0 0 0 0 0 35.6819 -3.6561 20.0453 H 0 0 0 0 0 0 0 0 0 36.8357 -4.5127 21.0703 H 0 0 0 0 0 0 0 0 0 36.3605 -5.1911 19.5351 H 0 0 0 0 0 0 0 0 0 35.6043 -4.5814 24.7925 H 0 0 0 0 0 0 0 0 0 29.8494 -4.4674 23.8998 H 0 0 0 0 0 0 0 0 0 30.5369 -2.8623 23.9230 H 0 0 0 0 0 0 0 0 0 29.1899 -3.1824 21.9743 H 0 0 0 0 0 0 0 0 0 30.8539 -2.9349 21.4928 H 0 0 0 0 0 0 0 0 0 30.1478 -4.5488 21.4451 H 0 0 0 0 0 0 0 0 0 37.1061 -1.1307 23.2200 H 0 0 0 0 0 0 0 0 0 38.5433 -2.1358 23.2563 H 0 0 0 0 0 0 0 0 0 37.6157 -1.9971 21.7717 H 0 0 0 0 0 0 0 0 0 34.0346 0.1076 24.2423 H 0 0 0 0 0 0 0 0 0 33.4785 0.8787 22.7557 H 0 0 0 0 0 0 0 0 0 32.3261 0.4931 24.0355 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 1 2 1 0 0 0 0 3 10 1 0 0 0 0 3 42 1 0 0 0 0 3 17 1 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 37 1 0 0 0 0 6 33 1 0 0 0 0 6 52 1 0 0 0 0 7 33 1 0 0 0 0 8 30 1 0 0 0 0 8 26 1 0 0 0 0 8 41 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 64 1 0 0 0 0 10 65 1 0 0 0 0 11 12 1 1 0 0 0 11 50 1 0 0 0 0 12 13 1 6 0 0 0 12 66 1 1 0 0 0 13 42 1 6 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 14 67 1 0 0 0 0 14 68 1 0 0 0 0 15 46 1 1 0 0 0 15 16 1 6 0 0 0 15 36 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 17 69 1 0 0 0 0 17 70 1 0 0 0 0 18 19 1 0 0 0 0 18 71 1 0 0 0 0 18 72 1 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 73 1 0 0 0 0 22 24 1 0 0 0 0 22 74 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 75 1 0 0 0 0 25 76 1 0 0 0 0 26 27 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 28 2 0 0 0 0 27 79 1 0 0 0 0 28 29 1 0 0 0 0 28 80 1 0 0 0 0 29 32 1 1 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 6 0 0 0 31 33 1 0 0 0 0 31 34 1 1 0 0 0 31 43 1 6 0 0 0 32 60 1 0 0 0 0 32 39 1 6 0 0 0 32 81 1 1 0 0 0 33 39 1 6 0 0 0 34 37 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 82 1 0 0 0 0 36 38 2 0 0 0 0 37 40 2 0 0 0 0 38 48 1 0 0 0 0 38 40 1 0 0 0 0 39 53 1 6 0 0 0 39 54 1 1 0 0 0 40 83 1 0 0 0 0 41 43 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 90 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 46 47 2 0 0 0 0 48 49 1 0 0 0 0 49 93 1 0 0 0 0 49 94 1 0 0 0 0 49 95 1 0 0 0 0 50 51 1 0 0 0 0 50 96 1 0 0 0 0 50 97 1 0 0 0 0 51 98 1 0 0 0 0 51 99 1 0 0 0 0 51100 1 0 0 0 0 52101 1 0 0 0 0 52102 1 0 0 0 0 52103 1 0 0 0 0 53104 1 0 0 0 0 54 58 1 0 0 0 0 54 55 2 0 0 0 0 56 57 1 0 0 0 0 56105 1 0 0 0 0 56106 1 0 0 0 0 57107 1 0 0 0 0 57108 1 0 0 0 0 57109 1 0 0 0 0 58 59 1 0 0 0 0 59110 1 0 0 0 0 59111 1 0 0 0 0 59112 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 61 63 1 0 0 0 0 63113 1 0 0 0 0 63114 1 0 0 0 0 63115 1 0 0 0 0 M END > 90636 > K $$$$ 90829 1016 111283D 90829 64 66 0 1 V2000 -2.8495 3.8613 0.6355 N 0 0 0 0 0 0 0 0 0 -1.0786 5.1408 3.1236 N 0 0 0 0 0 0 0 0 0 -0.7809 7.6837 4.3054 O 0 0 0 0 0 0 0 0 0 -3.3733 2.5161 0.3985 C 0 0 0 0 0 0 0 0 0 -4.8664 2.4443 0.7283 C 0 0 0 0 0 0 0 0 0 -5.6905 3.4901 -0.0398 C 0 0 0 0 0 0 0 0 0 -5.7116 3.1592 -1.5427 C 0 0 0 0 0 0 0 0 0 -6.6350 4.0818 -2.3424 C 0 0 0 0 0 0 0 0 0 -8.0818 4.0383 -1.8222 C 0 0 0 0 0 0 0 0 0 -7.1417 3.4291 0.4634 C 0 0 0 0 0 0 0 0 0 -5.0731 4.8649 0.2700 C 0 0 0 0 0 0 0 0 0 -8.0832 4.3524 -0.3162 C 0 0 0 0 0 0 0 0 0 -3.5820 4.9166 -0.0626 C 0 0 0 0 0 0 0 0 0 0.2382 5.7701 3.2265 C 0 0 0 0 0 0 0 0 0 0.0826 7.2918 3.2535 C 0 0 0 0 0 0 0 0 0 -1.9872 5.5927 4.1766 C 0 0 0 0 0 0 0 0 0 -2.0725 7.1192 4.1689 C 0 0 0 0 0 0 0 0 0 -9.0622 4.9127 -2.6438 C 0 0 0 0 0 0 0 0 0 -10.4991 4.7454 -2.1262 C 0 0 0 0 0 0 0 0 0 -8.7121 6.4074 -2.6010 C 0 0 0 0 0 0 0 0 0 -9.0774 4.4699 -4.1152 C 0 0 0 0 0 0 0 0 0 -1.4021 3.9956 0.4654 C 0 0 0 0 0 0 0 0 0 -0.6036 3.2778 1.5550 C 0 0 0 0 0 0 0 0 0 -1.0727 3.6888 2.9516 C 0 0 0 0 0 0 0 0 0 -3.2112 2.2336 -0.6319 H 0 0 0 0 0 0 0 0 0 -2.8643 1.8016 1.0286 H 0 0 0 0 0 0 0 0 0 -5.2309 1.4506 0.5095 H 0 0 0 0 0 0 0 0 0 -4.9762 2.6190 1.7895 H 0 0 0 0 0 0 0 0 0 -4.7193 3.2240 -1.9625 H 0 0 0 0 0 0 0 0 0 -6.0593 2.1438 -1.6737 H 0 0 0 0 0 0 0 0 0 -6.2523 5.0903 -2.2984 H 0 0 0 0 0 0 0 0 0 -6.6027 3.7513 -3.3696 H 0 0 0 0 0 0 0 0 0 -8.4161 3.0145 -1.9240 H 0 0 0 0 0 0 0 0 0 -7.5090 2.4168 0.3653 H 0 0 0 0 0 0 0 0 0 -7.1775 3.6979 1.5099 H 0 0 0 0 0 0 0 0 0 -5.5758 5.6503 -0.2734 H 0 0 0 0 0 0 0 0 0 -5.1801 5.0677 1.3264 H 0 0 0 0 0 0 0 0 0 -7.7906 5.3782 -0.1498 H 0 0 0 0 0 0 0 0 0 -9.0745 4.2122 0.0880 H 0 0 0 0 0 0 0 0 0 -3.2107 5.8834 0.2482 H 0 0 0 0 0 0 0 0 0 -3.4378 4.8249 -1.1297 H 0 0 0 0 0 0 0 0 0 0.7244 5.4549 4.1391 H 0 0 0 0 0 0 0 0 0 0.8609 5.5029 2.3857 H 0 0 0 0 0 0 0 0 0 -0.3114 7.6282 2.3046 H 0 0 0 0 0 0 0 0 0 1.0507 7.7465 3.4049 H 0 0 0 0 0 0 0 0 0 -2.9778 5.1910 4.0169 H 0 0 0 0 0 0 0 0 0 -1.6233 5.2671 5.1410 H 0 0 0 0 0 0 0 0 0 -2.6909 7.4442 4.9929 H 0 0 0 0 0 0 0 0 0 -2.5288 7.4470 3.2452 H 0 0 0 0 0 0 0 0 0 -10.5970 5.1442 -1.1274 H 0 0 0 0 0 0 0 0 0 -11.1921 5.2766 -2.7633 H 0 0 0 0 0 0 0 0 0 -10.7722 3.6998 -2.1154 H 0 0 0 0 0 0 0 0 0 -7.7277 6.5802 -3.0101 H 0 0 0 0 0 0 0 0 0 -9.4247 6.9720 -3.1854 H 0 0 0 0 0 0 0 0 0 -8.7391 6.7762 -1.5864 H 0 0 0 0 0 0 0 0 0 -9.2935 3.4133 -4.1844 H 0 0 0 0 0 0 0 0 0 -9.8337 5.0136 -4.6636 H 0 0 0 0 0 0 0 0 0 -8.1253 4.6647 -4.5860 H 0 0 0 0 0 0 0 0 0 -1.1062 3.6224 -0.5052 H 0 0 0 0 0 0 0 0 0 -1.1286 5.0408 0.5177 H 0 0 0 0 0 0 0 0 0 -0.7160 2.2090 1.4512 H 0 0 0 0 0 0 0 0 0 0.4415 3.5201 1.4320 H 0 0 0 0 0 0 0 0 0 -0.4452 3.2247 3.6998 H 0 0 0 0 0 0 0 0 0 -2.0770 3.3054 3.0719 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 4 1 0 0 0 0 1 13 1 0 0 0 0 2 24 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 11 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 18 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 M END > 90829 > K $$$$ 92339 1016 111283D 92339 62 66 1 1 V2000 -2.3947 1.1016 -9.1910 O 0 0 0 0 0 0 0 0 0 -2.1937 0.6048 -4.3153 F 0 0 0 0 0 0 0 0 0 1.0174 -1.3539 -6.5642 F 0 0 0 0 0 0 0 0 0 -1.5036 -2.5696 -3.6789 H 0 0 0 0 0 0 0 0 0 -0.8696 -0.0279 -2.2253 H 0 0 0 0 0 0 0 0 0 -1.5472 0.6038 -0.0523 O 0 0 0 0 0 0 0 0 0 0.4906 -0.3509 0.4471 O 0 0 0 0 0 0 0 0 0 -0.2529 0.8431 0.4637 C 0 0 0 0 0 0 0 0 0 -1.7847 -0.7891 -0.0058 C 0 0 2 0 0 0 0 0 0 -0.3748 -1.3848 0.0493 C 0 0 1 0 0 0 0 0 0 -2.3396 -1.3063 -1.3418 C 0 0 1 0 0 0 0 0 0 -3.4742 -0.4647 -1.9399 C 0 0 0 0 0 0 0 0 0 -3.7533 -0.8597 -3.3996 C 0 0 1 0 0 0 0 0 0 -0.0076 -1.7714 -1.3864 C 0 0 0 0 0 0 0 0 0 -1.0973 -1.0857 -2.2069 C 0 0 1 0 0 0 0 0 0 -2.4982 -0.7488 -4.2953 C 0 0 2 0 0 0 0 0 0 -1.3034 -1.5095 -3.6656 C 0 0 1 0 0 0 0 0 0 -2.7152 -1.1852 -5.7715 C 0 0 1 0 0 0 0 0 0 -3.8966 -0.4578 -6.3881 C 0 0 0 0 0 0 0 0 0 -3.8002 0.2909 -7.4943 C 0 0 0 0 0 0 0 0 0 -0.0118 -1.2594 -4.4542 C 0 0 0 0 0 0 0 0 0 -1.3888 -0.9858 -6.4967 C 0 0 0 0 0 0 0 0 0 -2.4858 0.4408 -8.1848 C 0 0 0 0 0 0 0 0 0 -0.1657 -1.6605 -5.9193 C 0 0 1 0 0 0 0 0 0 -1.2878 -0.2406 -7.6097 C 0 0 0 0 0 0 0 0 0 -4.2815 -2.1683 -3.4380 O 0 0 0 0 0 0 0 0 0 -3.1008 -2.6647 -5.9408 C 0 0 0 0 0 0 0 0 0 -3.4743 0.4766 2.7515 O 0 0 0 0 0 0 0 0 0 -3.7921 -0.1973 1.5494 C 0 0 0 0 0 0 0 0 0 -2.7055 -1.1465 1.1298 C 0 0 0 0 0 0 0 0 0 -2.5743 -2.2052 1.6990 O 0 0 0 0 0 0 0 0 0 -2.7729 -2.7847 -1.2121 C 0 0 0 0 0 0 0 0 0 0.4689 1.8697 -0.4050 C 0 0 0 0 0 0 0 0 0 -0.3144 1.3069 1.9159 C 0 0 0 0 0 0 0 0 0 -0.3005 -2.2351 0.7128 H 0 0 0 0 0 0 0 0 0 -4.3744 -0.5918 -1.3566 H 0 0 0 0 0 0 0 0 0 -3.1988 0.5805 -1.9086 H 0 0 0 0 0 0 0 0 0 -4.5039 -0.1771 -3.7742 H 0 0 0 0 0 0 0 0 0 0.9790 -1.4178 -1.6489 H 0 0 0 0 0 0 0 0 0 -0.0552 -2.8433 -1.5117 H 0 0 0 0 0 0 0 0 0 -4.8399 -0.5432 -5.9339 H 0 0 0 0 0 0 0 0 0 -4.6458 0.7765 -7.8835 H 0 0 0 0 0 0 0 0 0 0.2433 -0.2095 -4.4032 H 0 0 0 0 0 0 0 0 0 0.7989 -1.8289 -4.0230 H 0 0 0 0 0 0 0 0 0 -0.2948 -2.7311 -5.9818 H 0 0 0 0 0 0 0 0 0 -0.3652 -0.1218 -8.0964 H 0 0 0 0 0 0 0 0 0 -5.1142 -2.1952 -2.9751 H 0 0 0 0 0 0 0 0 0 -4.0703 -2.8656 -5.5098 H 0 0 0 0 0 0 0 0 0 -3.1509 -2.9091 -6.9927 H 0 0 0 0 0 0 0 0 0 -2.3843 -3.3243 -5.4773 H 0 0 0 0 0 0 0 0 0 -4.2138 1.0162 3.0143 H 0 0 0 0 0 0 0 0 0 -4.6952 -0.7756 1.6813 H 0 0 0 0 0 0 0 0 0 -3.9478 0.5315 0.7667 H 0 0 0 0 0 0 0 0 0 -3.7181 -2.8439 -0.6918 H 0 0 0 0 0 0 0 0 0 -2.8842 -3.2594 -2.1731 H 0 0 0 0 0 0 0 0 0 -2.0526 -3.3577 -0.6470 H 0 0 0 0 0 0 0 0 0 1.4683 2.0298 -0.0275 H 0 0 0 0 0 0 0 0 0 0.5361 1.5031 -1.4175 H 0 0 0 0 0 0 0 0 0 -0.0742 2.8028 -0.3996 H 0 0 0 0 0 0 0 0 0 0.6871 1.4926 2.2766 H 0 0 0 0 0 0 0 0 0 -0.9016 2.2094 1.9921 H 0 0 0 0 0 0 0 0 0 -0.7633 0.5322 2.5186 H 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 16 1 0 0 0 0 3 24 1 0 0 0 0 4 17 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 30 1 1 0 0 0 9 10 1 0 0 0 0 9 11 1 6 0 0 0 10 14 1 6 0 0 0 10 35 1 1 0 0 0 11 15 1 6 0 0 0 11 12 1 0 0 0 0 11 32 1 1 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 26 1 1 0 0 0 13 16 1 6 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 6 0 0 0 16 18 1 6 0 0 0 16 17 1 1 0 0 0 17 21 1 6 0 0 0 18 22 1 6 0 0 0 18 19 1 0 0 0 0 18 27 1 1 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 25 1 0 0 0 0 24 45 1 1 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > 92339 > K $$$$ 92510 1016 111283D 92510 37 37 0 1 V2000 0.9439 3.8826 -0.1359 Cl 0 0 0 0 0 0 0 0 0 2.2012 1.5124 -0.1876 N 0 0 0 0 0 0 0 0 0 -0.1230 1.4158 -0.0646 N 0 0 0 0 0 0 0 0 0 3.8578 -0.5752 -0.2523 Cl 0 0 0 0 0 0 0 0 0 -1.5950 -0.7977 0.0353 Cl 0 0 0 0 0 0 0 0 0 2.2827 0.1640 -0.1714 C 0 0 0 0 0 0 0 0 0 1.1300 -0.6071 -0.0907 C 0 0 0 0 0 0 0 0 0 -0.0853 0.0654 -0.0463 C 0 0 0 0 0 0 0 0 0 1.0107 2.1445 -0.1287 C 0 0 0 0 0 0 0 0 0 1.1990 -2.1118 -0.0563 C 0 0 0 0 0 0 0 0 0 1.1837 -2.6624 -1.4838 C 0 0 0 0 0 0 0 0 0 1.2765 -4.1889 -1.4992 C 0 0 0 0 0 0 0 0 0 1.2861 -4.7296 -2.9305 C 0 0 0 0 0 0 0 0 0 1.3871 -6.2564 -2.9427 C 0 0 0 0 0 0 0 0 0 1.4074 -6.8001 -4.3727 C 0 0 0 0 0 0 0 0 0 1.5120 -8.3262 -4.3886 C 0 0 0 0 0 0 0 0 0 1.5200 -8.8583 -5.8225 C 0 0 0 0 0 0 0 0 0 1.6288 -10.3811 -5.8473 C 0 0 0 0 0 0 0 0 0 2.1065 -2.4259 0.4389 H 0 0 0 0 0 0 0 0 0 0.3634 -2.5118 0.5009 H 0 0 0 0 0 0 0 0 0 0.2677 -2.3603 -1.9718 H 0 0 0 0 0 0 0 0 0 2.0223 -2.2538 -2.0309 H 0 0 0 0 0 0 0 0 0 2.1876 -4.4927 -1.0033 H 0 0 0 0 0 0 0 0 0 0.4306 -4.6044 -0.9692 H 0 0 0 0 0 0 0 0 0 0.3767 -4.4295 -3.4323 H 0 0 0 0 0 0 0 0 0 2.1315 -4.3131 -3.4601 H 0 0 0 0 0 0 0 0 0 2.2954 -6.5542 -2.4377 H 0 0 0 0 0 0 0 0 0 0.5390 -6.6723 -2.4165 H 0 0 0 0 0 0 0 0 0 0.4996 -6.5023 -4.8784 H 0 0 0 0 0 0 0 0 0 2.2545 -6.3836 -4.8997 H 0 0 0 0 0 0 0 0 0 2.4241 -8.6271 -3.8925 H 0 0 0 0 0 0 0 0 0 0.6695 -8.7471 -3.8580 H 0 0 0 0 0 0 0 0 0 0.6065 -8.5641 -6.3194 H 0 0 0 0 0 0 0 0 0 2.3592 -8.4377 -6.3582 H 0 0 0 0 0 0 0 0 0 0.7897 -10.8196 -5.3265 H 0 0 0 0 0 0 0 0 0 1.6268 -10.7253 -6.8713 H 0 0 0 0 0 0 0 0 0 2.5481 -10.6923 -5.3725 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 M END > 92510 > K $$$$ 93419 1016 111283D 93419 71 75 1 1 V2000 11.1888 -15.1114 -0.0664 O 0 0 0 0 0 0 0 0 0 10.1691 -14.6086 0.6850 C 0 0 0 0 0 0 0 0 0 10.2830 -13.4607 1.4595 C 0 0 0 0 0 0 0 0 0 8.9609 -15.2885 0.6722 C 0 0 0 0 0 0 0 0 0 9.2193 -12.9988 2.2219 C 0 0 0 0 0 0 0 0 0 7.8887 -14.8354 1.4310 C 0 0 0 0 0 0 0 0 0 8.0101 -13.6971 2.2243 C 0 0 0 0 0 0 0 0 0 2.1070 -9.7039 2.1326 C 0 0 1 0 0 0 0 0 0 6.4883 -16.5540 0.6518 O 0 0 0 0 0 0 0 0 0 6.8256 -13.2666 3.0571 C 0 0 0 0 0 0 0 0 0 6.8861 -12.2652 3.7282 O 0 0 0 0 0 0 0 0 0 6.5955 -15.5965 1.3799 C 0 0 0 0 0 0 0 0 0 3.1783 -10.6605 2.6756 C 0 0 1 0 0 0 0 0 0 0.9464 -9.6693 3.1308 C 0 0 1 0 0 0 0 0 0 5.4355 -15.1742 2.2305 C 0 0 0 0 0 0 0 0 0 2.6496 -11.9432 2.9634 O 0 0 0 0 0 0 0 0 0 0.3990 -11.0852 3.2850 C 0 0 1 0 0 0 0 0 0 5.5516 -14.0717 3.0661 C 0 0 0 0 0 0 0 0 0 -0.0834 -11.4533 2.0010 O 0 0 0 0 0 0 0 0 0 4.2455 -15.8857 2.1846 C 0 0 0 0 0 0 0 0 0 1.5570 -11.9156 3.8614 C 0 0 1 0 0 0 0 0 0 4.4977 -13.7157 3.9026 C 0 0 0 0 0 0 0 0 0 3.2993 -14.4319 3.8650 C 0 0 0 0 0 0 0 0 0 3.1829 -15.5139 2.9963 C 0 0 0 0 0 0 0 0 0 1.9059 -16.3020 2.9253 C 0 0 0 0 0 0 0 0 0 1.1613 -13.2544 4.0832 O 0 0 0 0 0 0 0 0 0 2.1125 -14.0768 4.7365 C 0 0 1 0 0 0 0 0 0 1.7641 -17.1239 2.0495 O 0 0 0 0 0 0 0 0 0 1.3810 -15.3582 5.1533 C 0 0 1 0 0 0 0 0 0 0.8035 -16.0815 3.9295 C 0 0 1 0 0 0 0 0 0 2.3037 -16.2192 5.8030 O 0 0 0 0 0 0 0 0 0 12.0402 -14.1702 -0.6934 C 0 0 0 0 0 0 0 0 0 9.4888 -11.8607 2.9170 O 0 0 0 0 0 0 0 0 0 2.6081 -8.3894 1.9829 O 0 0 0 0 0 0 0 0 0 1.3632 -9.1873 4.3942 O 0 0 0 0 0 0 0 0 0 4.2917 -10.8761 1.6554 C 0 0 0 0 0 0 0 0 0 4.7191 -12.6590 4.7310 O 0 0 0 0 0 0 0 0 0 -0.5667 -12.7802 1.9353 C 0 0 0 0 0 0 0 0 0 -0.2767 -15.3373 3.3976 O 0 0 0 0 0 0 0 0 0 0.2464 -17.4412 4.3554 C 0 0 0 0 0 0 0 0 0 2.4189 -16.0096 7.1970 C 0 0 0 0 0 0 0 0 0 11.1840 -12.9245 1.4796 H 0 0 0 0 0 0 0 0 0 8.8659 -16.1514 0.0804 H 0 0 0 0 0 0 0 0 0 1.7325 -10.0796 1.1892 H 0 0 0 0 0 0 0 0 0 3.6096 -10.2296 3.5692 H 0 0 0 0 0 0 0 0 0 0.1652 -9.0375 2.7317 H 0 0 0 0 0 0 0 0 0 -0.4112 -11.0715 3.9995 H 0 0 0 0 0 0 0 0 0 4.1493 -16.7079 1.5357 H 0 0 0 0 0 0 0 0 0 1.8414 -11.4644 4.8040 H 0 0 0 0 0 0 0 0 0 2.4416 -13.6162 5.6547 H 0 0 0 0 0 0 0 0 0 0.5477 -15.0946 5.7898 H 0 0 0 0 0 0 0 0 0 11.4643 -13.4246 -1.2251 H 0 0 0 0 0 0 0 0 0 12.6858 -13.6888 0.0263 H 0 0 0 0 0 0 0 0 0 12.6582 -14.6921 -1.4096 H 0 0 0 0 0 0 0 0 0 8.7384 -11.5203 3.3859 H 0 0 0 0 0 0 0 0 0 3.1851 -8.3537 1.2266 H 0 0 0 0 0 0 0 0 0 1.6921 -8.2984 4.2774 H 0 0 0 0 0 0 0 0 0 5.0239 -11.5497 2.0698 H 0 0 0 0 0 0 0 0 0 3.8822 -11.3128 0.7562 H 0 0 0 0 0 0 0 0 0 4.7759 -9.9406 1.4191 H 0 0 0 0 0 0 0 0 0 3.9282 -12.3220 5.1212 H 0 0 0 0 0 0 0 0 0 -1.0715 -12.9204 0.9910 H 0 0 0 0 0 0 0 0 0 0.2580 -13.4765 1.9854 H 0 0 0 0 0 0 0 0 0 -1.2639 -12.9870 2.7355 H 0 0 0 0 0 0 0 0 0 -0.5725 -15.7478 2.5895 H 0 0 0 0 0 0 0 0 0 -0.1609 -17.9523 3.4949 H 0 0 0 0 0 0 0 0 0 1.0287 -18.0491 4.7868 H 0 0 0 0 0 0 0 0 0 -0.5402 -17.3010 5.0817 H 0 0 0 0 0 0 0 0 0 1.4708 -16.1846 7.6864 H 0 0 0 0 0 0 0 0 0 3.1416 -16.7095 7.5910 H 0 0 0 0 0 0 0 0 0 2.7593 -15.0080 7.4166 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 3 42 1 0 0 0 0 4 6 1 0 0 0 0 4 43 1 0 0 0 0 5 33 1 0 0 0 0 5 7 1 0 0 0 0 6 12 1 0 0 0 0 6 7 2 0 0 0 0 7 10 1 0 0 0 0 8 34 1 0 0 0 0 8 13 1 6 0 0 0 8 14 1 0 0 0 0 8 44 1 1 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 1 0 0 0 13 36 1 0 0 0 0 13 45 1 6 0 0 0 14 35 1 6 0 0 0 14 17 1 0 0 0 0 14 46 1 1 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 19 1 1 0 0 0 17 21 1 6 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 19 38 1 0 0 0 0 20 24 2 0 0 0 0 20 48 1 0 0 0 0 21 26 1 1 0 0 0 21 49 1 6 0 0 0 22 37 1 0 0 0 0 22 23 2 0 0 0 0 23 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 28 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 6 0 0 0 27 50 1 0 0 0 0 29 31 1 6 0 0 0 29 30 1 1 0 0 0 29 51 1 0 0 0 0 30 39 1 1 0 0 0 30 40 1 6 0 0 0 31 41 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 M END > 93419 > K $$$$ 93739 1016 111283D 93739 42 44 0 1 V2000 0.0373 1.4533 0.0533 C 0 0 0 0 0 0 0 0 0 -2.5778 0.6560 3.2845 C 0 0 0 0 0 0 0 0 0 -2.5010 2.0297 2.6919 C 0 0 0 0 0 0 0 0 0 -1.7069 -0.4306 2.7246 C 0 0 0 0 0 0 0 0 0 -1.6705 2.2833 1.6721 C 0 0 0 0 0 0 0 0 0 -0.8794 -0.1772 1.7022 C 0 0 0 0 0 0 0 0 0 -0.7921 1.2004 1.0861 C 0 0 0 0 0 0 0 0 0 1.9907 0.0359 0.8061 C 0 0 0 0 0 0 0 0 0 1.2346 0.5708 -0.2329 C 0 0 0 0 0 0 0 0 0 3.0895 -0.7708 0.5421 C 0 0 0 0 0 0 0 0 0 3.4518 -1.0516 -0.7687 C 0 0 0 0 0 0 0 0 0 1.6007 0.2844 -1.5440 C 0 0 0 0 0 0 0 0 0 2.7003 -0.5221 -1.8103 C 0 0 0 0 0 0 0 0 0 0.8754 3.3727 -1.3525 C 0 0 0 0 0 0 0 0 0 -0.1970 2.6347 -0.8643 C 0 0 0 0 0 0 0 0 0 0.6714 4.4596 -2.1971 C 0 0 0 0 0 0 0 0 0 -1.4855 3.0010 -1.2382 C 0 0 0 0 0 0 0 0 0 -0.6249 4.8289 -2.5521 C 0 0 0 0 0 0 0 0 0 -1.6984 4.0901 -2.0709 C 0 0 0 0 0 0 0 0 0 -0.8831 5.8950 -3.3599 N 0 0 0 0 0 0 0 0 0 1.8682 5.2151 -2.7080 C 0 0 0 0 0 0 0 0 0 -3.3637 0.4378 4.2329 N 0 0 0 0 0 0 0 0 0 4.5317 -1.8363 -1.0251 N 0 0 0 0 0 0 0 0 0 -3.1032 2.7966 3.0817 H 0 0 0 0 0 0 0 0 0 -1.7474 -1.3955 3.1365 H 0 0 0 0 0 0 0 0 0 -1.6371 3.2591 1.2863 H 0 0 0 0 0 0 0 0 0 -0.2899 -0.9617 1.3293 H 0 0 0 0 0 0 0 0 0 1.7364 0.2412 1.8043 H 0 0 0 0 0 0 0 0 0 3.6486 -1.1689 1.3367 H 0 0 0 0 0 0 0 0 0 1.0435 0.6766 -2.3435 H 0 0 0 0 0 0 0 0 0 2.9652 -0.7325 -2.8042 H 0 0 0 0 0 0 0 0 0 1.8540 3.1063 -1.0773 H 0 0 0 0 0 0 0 0 0 -2.3118 2.4529 -0.8929 H 0 0 0 0 0 0 0 0 0 -2.6799 4.3542 -2.3368 H 0 0 0 0 0 0 0 0 0 -1.7963 6.1162 -3.6039 H 0 0 0 0 0 0 0 0 0 -0.1650 6.4483 -3.7023 H 0 0 0 0 0 0 0 0 0 1.7658 5.4105 -3.7653 H 0 0 0 0 0 0 0 0 0 1.9538 6.1516 -2.1762 H 0 0 0 0 0 0 0 0 0 2.7724 4.6438 -2.5575 H 0 0 0 0 0 0 0 0 0 -3.4373 -0.4427 4.6340 H 0 0 0 0 0 0 0 0 0 4.7868 -2.0398 -1.9390 H 0 0 0 0 0 0 0 0 0 5.0593 -2.2006 -0.2962 H 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 9 1 0 0 0 0 1 7 2 0 0 0 0 2 22 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 24 1 0 0 0 0 4 6 2 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 23 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 16 21 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > 93739 > K $$$$ 95580 1016 111283D 95580 34 33 0 1 V2000 2.2239 6.7853 -3.7493 C 0 0 0 0 0 0 0 0 0 2.7231 6.9987 -4.8267 O 0 0 0 0 0 0 0 0 0 -6.8838 9.9956 0.1217 C 0 0 0 0 0 0 0 0 0 -7.8913 9.3429 0.2462 O 0 0 0 0 0 0 0 0 0 3.0684 6.2022 -2.6571 C 0 0 0 0 0 0 0 0 0 -5.6875 9.3644 0.0084 N 0 0 0 0 0 0 0 0 0 -6.9714 11.4895 0.0969 C 0 0 0 0 0 0 0 0 0 0.9103 7.0898 -3.5876 N 0 0 0 0 0 0 0 0 0 0.2066 6.8883 -2.3493 C 0 0 0 0 0 0 0 0 0 -1.2407 7.3690 -2.4566 C 0 0 0 0 0 0 0 0 0 -1.9930 7.1542 -1.1421 C 0 0 0 0 0 0 0 0 0 -3.4371 7.6496 -1.2396 C 0 0 0 0 0 0 0 0 0 -4.1811 7.4209 0.0782 C 0 0 0 0 0 0 0 0 0 -5.6223 7.9282 0.0287 C 0 0 0 0 0 0 0 0 0 4.0702 6.0460 -3.0284 H 0 0 0 0 0 0 0 0 0 3.0990 6.8840 -1.8208 H 0 0 0 0 0 0 0 0 0 2.6510 5.2571 -2.3444 H 0 0 0 0 0 0 0 0 0 -4.8790 9.8919 -0.0872 H 0 0 0 0 0 0 0 0 0 -6.4816 11.8891 0.9720 H 0 0 0 0 0 0 0 0 0 -6.4894 11.8635 -0.7937 H 0 0 0 0 0 0 0 0 0 -8.0095 11.7860 0.0980 H 0 0 0 0 0 0 0 0 0 0.4451 7.4587 -4.3559 H 0 0 0 0 0 0 0 0 0 0.2102 5.8355 -2.1016 H 0 0 0 0 0 0 0 0 0 0.6999 7.4382 -1.5593 H 0 0 0 0 0 0 0 0 0 -1.2419 8.4214 -2.7031 H 0 0 0 0 0 0 0 0 0 -1.7348 6.8231 -3.2479 H 0 0 0 0 0 0 0 0 0 -1.9936 6.1000 -0.9017 H 0 0 0 0 0 0 0 0 0 -1.4875 7.6932 -0.3530 H 0 0 0 0 0 0 0 0 0 -3.4370 8.7020 -1.4862 H 0 0 0 0 0 0 0 0 0 -3.9469 7.1068 -2.0232 H 0 0 0 0 0 0 0 0 0 -4.1983 6.3597 0.2824 H 0 0 0 0 0 0 0 0 0 -3.6672 7.9212 0.8865 H 0 0 0 0 0 0 0 0 0 -6.1397 7.5684 0.9076 H 0 0 0 0 0 0 0 0 0 -6.1185 7.5264 -0.8447 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 1 5 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 M END > 95580 > K $$$$ 95678 1016 111283D 95678 21 21 0 1 V2000 -0.4446 1.6436 -0.1642 N 0 0 0 0 0 0 0 0 0 -2.5794 -0.2150 -0.0520 N 0 0 0 0 0 0 0 0 0 -0.2468 0.3024 -0.2218 C 0 0 0 0 0 0 0 0 0 1.0424 -0.2032 -0.3402 C 0 0 0 0 0 0 0 0 0 2.1075 0.6886 -0.3948 C 0 0 0 0 0 0 0 0 0 1.8817 2.0571 -0.3321 C 0 0 0 0 0 0 0 0 0 0.5805 2.5248 -0.2150 C 0 0 0 0 0 0 0 0 0 -1.4073 -0.6464 -0.1588 C 0 0 0 0 0 0 0 0 0 1.2289 -1.5507 -0.3995 O 0 0 0 0 0 0 0 0 0 -3.6044 -0.9488 0.0083 N 0 0 0 0 0 0 0 0 0 -4.8406 -0.3998 0.1238 C 0 0 0 0 0 0 0 0 0 -5.0404 1.1484 0.1861 S 0 0 0 0 0 0 0 0 0 -5.9172 -1.2209 0.1857 N 0 0 0 0 0 0 0 0 0 3.0888 0.3268 -0.4839 H 0 0 0 0 0 0 0 0 0 2.6859 2.7315 -0.3727 H 0 0 0 0 0 0 0 0 0 0.3891 3.5568 -0.1659 H 0 0 0 0 0 0 0 0 0 -1.2266 -1.6799 -0.2053 H 0 0 0 0 0 0 0 0 0 2.1531 -1.7601 -0.4865 H 0 0 0 0 0 0 0 0 0 -3.5311 -1.9163 -0.0262 H 0 0 0 0 0 0 0 0 0 -6.8081 -0.8474 0.2703 H 0 0 0 0 0 0 0 0 0 -5.8030 -2.1824 0.1460 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 9 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END > 95678 > K $$$$ 95848 1016 111283D 95848 38 40 1 1 V2000 1.8114 -1.9122 0.5152 O 0 0 0 0 0 0 0 0 0 0.4006 0.3953 -2.4379 O 0 0 0 0 0 0 0 0 0 0.5626 -1.2026 0.6937 C 0 0 1 0 0 0 0 0 0 0.3535 -0.9166 2.1597 C 0 0 0 0 0 0 0 0 0 -0.9206 -0.6546 2.6396 C 0 0 0 0 0 0 0 0 0 -1.1111 -0.3919 3.9870 C 0 0 0 0 0 0 0 0 0 -0.0282 -0.3903 4.8531 C 0 0 0 0 0 0 0 0 0 1.4357 -0.9185 3.0241 C 0 0 0 0 0 0 0 0 0 0.6157 0.1218 -0.0828 C 0 0 1 0 0 0 0 0 0 1.2453 -0.6527 4.3715 C 0 0 0 0 0 0 0 0 0 0.9306 -0.2025 -1.5266 C 0 0 0 0 0 0 0 0 0 1.9141 -1.2755 -1.7892 C 0 0 0 0 0 0 0 0 0 3.2383 -3.1126 -0.9677 C 0 0 0 0 0 0 0 0 0 3.7494 -3.2960 -2.2438 C 0 0 0 0 0 0 0 0 0 2.3161 -2.0988 -0.7346 C 0 0 0 0 0 0 0 0 0 3.3494 -2.4761 -3.2906 C 0 0 0 0 0 0 0 0 0 2.4304 -1.4626 -3.0700 C 0 0 0 0 0 0 0 0 0 -0.6439 0.7858 0.0013 O 0 0 0 0 0 0 0 0 0 -1.5529 0.0677 -0.8292 C 0 0 0 0 0 0 0 0 0 -0.5169 -2.0014 0.2090 O 0 0 0 0 0 0 0 0 0 -0.4453 -3.2542 0.8858 C 0 0 0 0 0 0 0 0 0 1.6398 0.9577 0.4586 O 0 0 0 0 0 0 0 0 0 -1.7583 -0.6558 1.9689 H 0 0 0 0 0 0 0 0 0 -2.0966 -0.1894 4.3597 H 0 0 0 0 0 0 0 0 0 -0.1757 -0.1863 5.8961 H 0 0 0 0 0 0 0 0 0 2.4204 -1.1257 2.6518 H 0 0 0 0 0 0 0 0 0 2.0831 -0.6507 5.0416 H 0 0 0 0 0 0 0 0 0 3.5553 -3.7529 -0.1668 H 0 0 0 0 0 0 0 0 0 4.4609 -4.0788 -2.4231 H 0 0 0 0 0 0 0 0 0 3.7525 -2.6273 -4.2733 H 0 0 0 0 0 0 0 0 0 2.1240 -0.8308 -3.8830 H 0 0 0 0 0 0 0 0 0 -1.1881 0.0707 -1.8556 H 0 0 0 0 0 0 0 0 0 -1.6310 -0.9611 -0.4778 H 0 0 0 0 0 0 0 0 0 -2.5333 0.5366 -0.7913 H 0 0 0 0 0 0 0 0 0 -1.2519 -3.9010 0.5453 H 0 0 0 0 0 0 0 0 0 0.5130 -3.7275 0.6735 H 0 0 0 0 0 0 0 0 0 -0.5387 -3.0936 1.9598 H 0 0 0 0 0 0 0 0 0 1.7378 1.7058 -0.1421 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 20 1 1 0 0 0 3 9 1 6 0 0 0 3 4 1 0 0 0 0 4 8 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 10 2 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 6 0 0 0 9 11 1 1 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 M END > 95848 > K $$$$ 96932 1016 111283D 96932 49 52 0 2 V2000 -1.4482 -4.3143 -1.6683 S 0 0 0 0 0 0 0 0 0 0.4766 -4.9703 -3.3283 N 0 0 0 0 0 0 0 0 0 -2.1768 -6.4465 2.7454 N 0 0 0 0 0 0 0 0 0 -3.2097 -8.3739 1.4116 S 0 3 0 0 0 0 0 0 0 -4.6935 -8.8317 3.7008 C 0 0 0 0 0 0 0 0 0 -3.7361 -8.1052 3.0058 C 0 0 0 0 0 0 0 0 0 -4.9924 -8.4587 5.0057 C 0 0 0 0 0 0 0 0 0 -4.3402 -7.3794 5.5921 C 0 0 0 0 0 0 0 0 0 -3.0788 -7.0286 3.5778 C 0 0 0 0 0 0 0 0 0 -3.3840 -6.6596 4.8837 C 0 0 0 0 0 0 0 0 0 -1.3188 -1.8461 -3.0349 C 0 0 0 0 0 0 0 0 0 -0.8647 -3.1460 -2.8599 C 0 0 0 0 0 0 0 0 0 -0.7417 -1.0656 -4.0294 C 0 0 0 0 0 0 0 0 0 0.1441 -3.6794 -3.6456 C 0 0 0 0 0 0 0 0 0 0.2669 -1.5889 -4.8308 C 0 0 0 0 0 0 0 0 0 0.7096 -2.8938 -4.6448 C 0 0 0 0 0 0 0 0 0 -2.1319 -7.0436 1.5215 C 0 0 0 0 0 0 0 0 0 -0.2927 -5.5040 -2.3244 C 0 0 0 0 0 0 0 0 0 1.5421 -5.6776 -4.0010 C 0 0 0 0 0 0 0 0 0 0.9859 -6.3872 -5.2325 C 0 0 0 0 0 0 0 0 0 -0.1966 -6.7711 -1.8866 C 0 0 0 0 0 0 0 0 0 -0.8924 -7.3507 -0.6758 C 0 0 0 0 0 0 0 0 0 -1.1553 -8.8311 -0.7312 C 0 0 0 0 0 0 0 0 0 -1.2437 -6.5951 0.3815 C 0 0 0 0 0 0 0 0 0 -1.3600 -5.3182 3.1287 C 0 0 0 0 0 0 0 0 0 -2.1320 -4.0280 2.8676 C 0 0 0 0 0 0 0 0 0 -5.1846 -9.6466 3.2541 H 0 0 0 0 0 0 0 0 0 -5.7140 -8.9935 5.5534 H 0 0 0 0 0 0 0 0 0 -4.5733 -7.1055 6.5807 H 0 0 0 0 0 0 0 0 0 -2.9033 -5.8459 5.3423 H 0 0 0 0 0 0 0 0 0 -2.0837 -1.4596 -2.4279 H 0 0 0 0 0 0 0 0 0 -1.0671 -0.0773 -4.1774 H 0 0 0 0 0 0 0 0 0 0.6976 -0.9944 -5.5826 H 0 0 0 0 0 0 0 0 0 1.4681 -3.2733 -5.2621 H 0 0 0 0 0 0 0 0 0 2.3235 -4.9976 -4.3080 H 0 0 0 0 0 0 0 0 0 2.0098 -6.3991 -3.3476 H 0 0 0 0 0 0 0 0 0 1.7780 -6.9255 -5.7321 H 0 0 0 0 0 0 0 0 0 0.2129 -7.0820 -4.9389 H 0 0 0 0 0 0 0 0 0 0.5669 -5.6609 -5.9137 H 0 0 0 0 0 0 0 0 0 0.4125 -7.4259 -2.4338 H 0 0 0 0 0 0 0 0 0 -0.4966 -9.2979 -1.4498 H 0 0 0 0 0 0 0 0 0 -0.9745 -9.2924 0.2282 H 0 0 0 0 0 0 0 0 0 -2.1734 -9.0056 -1.0469 H 0 0 0 0 0 0 0 0 0 -0.8730 -5.6145 0.4271 H 0 0 0 0 0 0 0 0 0 -1.1002 -5.3651 4.1777 H 0 0 0 0 0 0 0 0 0 -0.4292 -5.2957 2.5793 H 0 0 0 0 0 0 0 0 0 -1.5314 -3.1787 3.1595 H 0 0 0 0 0 0 0 0 0 -2.3717 -3.9483 1.8173 H 0 0 0 0 0 0 0 0 0 -3.0475 -4.0248 3.4413 H 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 25 1 0 0 0 0 3 17 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 27 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 10 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 31 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 24 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 M CHG 1 4 1 M END > 96932 > K $$$$ 97338 1016 111283D 97338 88 94 1 1 V2000 0.3956 4.4431 -1.9046 C 0 0 0 0 0 0 0 0 0 -0.7914 3.6888 -2.5120 C 0 0 0 0 0 0 0 0 0 -0.9287 2.3428 -1.9575 N 0 0 0 0 0 0 0 0 0 0.2519 1.4998 -2.1583 C 0 0 2 0 0 0 0 0 0 1.4904 2.1841 -1.6440 C 0 0 0 0 0 0 0 0 0 2.5616 1.3983 -1.2467 C 0 0 0 0 0 0 0 0 0 3.7586 1.9913 -0.8474 C 0 0 0 0 0 0 0 0 0 3.8722 3.3778 -0.8154 C 0 0 0 0 0 0 0 0 0 2.7690 4.1547 -1.1620 C 0 0 0 0 0 0 0 0 0 1.5752 3.5691 -1.5661 C 0 0 0 0 0 0 0 0 0 -1.4212 2.3173 -0.5811 C 0 0 0 0 0 0 0 0 0 5.0810 3.8978 -0.4389 O 0 0 0 0 0 0 0 0 0 4.8257 1.2187 -0.4859 O 0 0 0 0 0 0 0 0 0 5.5081 0.6942 -1.6064 C 0 0 0 0 0 0 0 0 0 5.2625 5.2994 -0.4451 C 0 0 0 0 0 0 0 0 0 4.3565 -3.2710 2.8378 C 0 0 0 0 0 0 0 0 0 4.3870 -4.7614 2.4907 C 0 0 0 0 0 0 0 0 0 4.6164 -4.9695 1.0610 N 0 0 0 0 0 0 0 0 0 3.5269 -4.3960 0.2671 C 0 0 1 0 0 0 0 0 0 3.4165 -2.9059 0.5150 C 0 0 0 0 0 0 0 0 0 3.0029 -2.0120 -0.4665 C 0 0 0 0 0 0 0 0 0 2.7757 -0.6752 -0.1916 C 0 0 0 0 0 0 0 0 0 2.9616 -0.2003 1.1070 C 0 0 0 0 0 0 0 0 0 3.4753 -1.0692 2.0664 C 0 0 0 0 0 0 0 0 0 3.7319 -2.4033 1.7738 C 0 0 0 0 0 0 0 0 0 5.9817 -4.6991 0.6159 C 0 0 0 0 0 0 0 0 0 2.6344 1.0936 1.4097 O 0 0 0 0 0 0 0 0 0 3.4031 1.7397 2.4074 C 0 0 0 0 0 0 0 0 0 2.3719 0.0492 -1.2777 O 0 0 0 0 0 0 0 0 0 0.5071 1.1419 -3.6310 C 0 0 0 0 0 0 0 0 0 -0.5019 0.1686 -4.1709 C 0 0 0 0 0 0 0 0 0 -1.6835 0.5874 -4.7653 C 0 0 0 0 0 0 0 0 0 -2.5744 -0.3534 -5.2655 C 0 0 0 0 0 0 0 0 0 -2.3083 -1.7184 -5.1708 C 0 0 0 0 0 0 0 0 0 -0.2383 -1.1890 -4.0703 C 0 0 0 0 0 0 0 0 0 -1.1270 -2.1419 -4.5635 C 0 0 0 0 0 0 0 0 0 -3.1591 -2.6765 -5.6532 O 0 0 0 0 0 0 0 0 0 -4.4846 -2.3123 -5.9886 C 0 0 0 0 0 0 0 0 0 3.5231 -4.8801 -1.1905 C 0 0 0 0 0 0 0 0 0 2.3092 -4.5427 -2.0285 C 0 0 0 0 0 0 0 0 0 1.0970 -4.1383 -1.4726 C 0 0 0 0 0 0 0 0 0 0.0289 -3.7918 -2.2891 C 0 0 0 0 0 0 0 0 0 0.1566 -3.8570 -3.6705 C 0 0 0 0 0 0 0 0 0 1.3462 -4.2987 -4.2299 C 0 0 0 0 0 0 0 0 0 2.4163 -4.6375 -3.4118 C 0 0 0 0 0 0 0 0 0 -0.8769 -3.4862 -4.4746 O 0 0 0 0 0 0 0 0 0 2.6269 -4.8224 0.6878 H 0 0 0 0 0 0 0 0 0 0.1230 0.5692 -1.6199 H 0 0 0 0 0 0 0 0 0 0.6976 5.2289 -2.5818 H 0 0 0 0 0 0 0 0 0 0.0657 4.8946 -0.9806 H 0 0 0 0 0 0 0 0 0 -1.6973 4.2555 -2.3494 H 0 0 0 0 0 0 0 0 0 -0.6505 3.6202 -3.5797 H 0 0 0 0 0 0 0 0 0 2.8302 5.2006 -1.1216 H 0 0 0 0 0 0 0 0 0 -2.3422 2.8766 -0.5049 H 0 0 0 0 0 0 0 0 0 -1.6171 1.2994 -0.2753 H 0 0 0 0 0 0 0 0 0 -0.6932 2.7453 0.0940 H 0 0 0 0 0 0 0 0 0 6.3318 0.0896 -1.2560 H 0 0 0 0 0 0 0 0 0 4.8574 0.0751 -2.2081 H 0 0 0 0 0 0 0 0 0 5.9053 1.4979 -2.2110 H 0 0 0 0 0 0 0 0 0 4.6349 5.7582 0.3054 H 0 0 0 0 0 0 0 0 0 6.2950 5.5123 -0.2094 H 0 0 0 0 0 0 0 0 0 5.0426 5.7143 -1.4187 H 0 0 0 0 0 0 0 0 0 3.8518 -3.1328 3.7830 H 0 0 0 0 0 0 0 0 0 5.3795 -2.9395 2.9456 H 0 0 0 0 0 0 0 0 0 5.1468 -5.2562 3.0800 H 0 0 0 0 0 0 0 0 0 3.4336 -5.1952 2.7585 H 0 0 0 0 0 0 0 0 0 2.8473 -2.3143 -1.4536 H 0 0 0 0 0 0 0 0 0 3.6728 -0.7167 3.0341 H 0 0 0 0 0 0 0 0 0 6.6867 -5.2077 1.2578 H 0 0 0 0 0 0 0 0 0 6.1263 -5.0658 -0.3895 H 0 0 0 0 0 0 0 0 0 6.1872 -3.6385 0.6375 H 0 0 0 0 0 0 0 0 0 4.4606 1.5693 2.2539 H 0 0 0 0 0 0 0 0 0 3.2221 2.8025 2.3488 H 0 0 0 0 0 0 0 0 0 3.1126 1.3961 3.3896 H 0 0 0 0 0 0 0 0 0 0.5327 2.0246 -4.2501 H 0 0 0 0 0 0 0 0 0 1.4794 0.6750 -3.7093 H 0 0 0 0 0 0 0 0 0 -1.9035 1.6118 -4.8385 H 0 0 0 0 0 0 0 0 0 -3.4578 -0.0183 -5.7202 H 0 0 0 0 0 0 0 0 0 0.6560 -1.4902 -3.6113 H 0 0 0 0 0 0 0 0 0 -5.0626 -3.2126 -6.1375 H 0 0 0 0 0 0 0 0 0 -4.9458 -1.7423 -5.1939 H 0 0 0 0 0 0 0 0 0 -4.4940 -1.7417 -6.9060 H 0 0 0 0 0 0 0 0 0 4.3945 -4.4721 -1.6807 H 0 0 0 0 0 0 0 0 0 3.6177 -5.9567 -1.1761 H 0 0 0 0 0 0 0 0 0 0.9718 -4.0839 -0.4319 H 0 0 0 0 0 0 0 0 0 -0.8790 -3.4776 -1.8647 H 0 0 0 0 0 0 0 0 0 1.4299 -4.3713 -5.2732 H 0 0 0 0 0 0 0 0 0 3.3137 -4.9661 -3.8473 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 51 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 6 0 0 0 4 48 1 1 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 29 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 53 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 18 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 6 0 0 0 19 47 1 1 0 0 0 20 25 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 67 1 0 0 0 0 22 29 1 0 0 0 0 22 23 2 0 0 0 0 23 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 28 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 30 31 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 35 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 77 1 0 0 0 0 33 34 2 0 0 0 0 33 78 1 0 0 0 0 34 37 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 35 79 1 0 0 0 0 36 46 1 0 0 0 0 37 38 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 40 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 40 41 2 0 0 0 0 40 45 1 0 0 0 0 41 42 1 0 0 0 0 41 85 1 0 0 0 0 42 43 2 0 0 0 0 42 86 1 0 0 0 0 43 46 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 M END > 97338 > K $$$$ 97703 1016 111283D 97703 35 38 1 1 V2000 0.1068 1.4506 0.0093 O 0 0 0 0 0 0 0 0 0 1.9343 2.7708 -0.3736 O 0 0 0 0 0 0 0 0 0 -0.3163 -1.4768 -4.0303 C 0 0 0 0 0 0 0 0 0 0.6279 -1.9682 -3.1653 C 0 0 0 0 0 0 0 0 0 -1.1969 -0.4753 -3.5950 C 0 0 0 0 0 0 0 0 0 -2.1731 0.0472 -4.4563 C 0 0 0 0 0 0 0 0 0 -3.0194 1.0265 -4.0027 C 0 0 0 0 0 0 0 0 0 0.7240 -1.4873 -1.8647 C 0 0 0 0 0 0 0 0 0 -1.0989 0.0142 -2.2714 C 0 0 0 0 0 0 0 0 0 -2.9229 1.5079 -2.7013 C 0 0 0 0 0 0 0 0 0 -0.1226 -0.5086 -1.4115 C 0 0 0 0 0 0 0 0 0 -1.9790 1.0166 -1.8369 C 0 0 0 0 0 0 0 0 0 0.0025 -0.0027 0.0031 C 0 0 1 0 0 0 0 0 0 1.2886 -0.4864 0.6280 C 0 0 0 0 0 0 0 0 0 1.7004 -1.7081 1.1253 C 0 0 0 0 0 0 0 0 0 2.9774 -1.8363 1.6526 C 0 0 0 0 0 0 0 0 0 2.1476 0.6065 0.6460 C 0 0 0 0 0 0 0 0 0 3.8362 -0.7483 1.6811 C 0 0 0 0 0 0 0 0 0 3.4282 0.4770 1.1797 C 0 0 0 0 0 0 0 0 0 1.4281 1.7480 0.0362 C 0 0 0 0 0 0 0 0 0 -1.2014 -0.4548 0.8330 C 0 0 0 0 0 0 0 0 0 -0.3729 -1.8593 -5.0341 H 0 0 0 0 0 0 0 0 0 1.3014 -2.7356 -3.5004 H 0 0 0 0 0 0 0 0 0 -2.2634 -0.3123 -5.4662 H 0 0 0 0 0 0 0 0 0 -3.7666 1.4256 -4.6640 H 0 0 0 0 0 0 0 0 0 1.4714 -1.8866 -1.2039 H 0 0 0 0 0 0 0 0 0 -3.5957 2.2761 -2.3665 H 0 0 0 0 0 0 0 0 0 -1.9202 1.4020 -0.8342 H 0 0 0 0 0 0 0 0 0 1.0373 -2.5529 1.1044 H 0 0 0 0 0 0 0 0 0 3.3024 -2.7850 2.0421 H 0 0 0 0 0 0 0 0 0 4.8233 -0.8556 2.0940 H 0 0 0 0 0 0 0 0 0 4.0980 1.3176 1.2043 H 0 0 0 0 0 0 0 0 0 -1.1363 -0.0218 1.8303 H 0 0 0 0 0 0 0 0 0 -2.1201 -0.1221 0.3522 H 0 0 0 0 0 0 0 0 0 -1.2042 -1.5415 0.9079 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 20 2 0 0 0 0 3 5 2 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 8 2 0 0 0 0 4 23 1 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 1 0 0 0 14 17 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 20 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END > 97703 > K $$$$ 97911 1016 111283D 97911 41 42 0 1 V2000 0.7466 1.3590 0.7769 O 0 0 0 0 0 0 0 0 0 3.8345 -1.8470 5.3057 N 0 0 0 0 0 0 0 0 0 2.3583 -0.9609 3.0938 C 0 0 0 0 0 0 0 0 0 3.1670 -0.1068 3.8385 C 0 0 0 0 0 0 0 0 0 1.5567 -0.4703 2.0691 C 0 0 0 0 0 0 0 0 0 1.5441 0.8863 1.7774 C 0 0 0 0 0 0 0 0 0 3.1552 1.2523 3.5371 C 0 0 0 0 0 0 0 0 0 2.3543 1.7428 2.5139 C 0 0 0 0 0 0 0 0 0 -0.6622 3.0750 -0.0037 C 0 0 0 0 0 0 0 0 0 -0.1622 2.3405 1.0636 C 0 0 0 0 0 0 0 0 0 -1.6001 4.0797 0.2009 C 0 0 0 0 0 0 0 0 0 -2.0560 4.3685 1.4817 C 0 0 0 0 0 0 0 0 0 -0.6155 2.6374 2.3469 C 0 0 0 0 0 0 0 0 0 -1.5515 3.6433 2.5557 C 0 0 0 0 0 0 0 0 0 -3.0826 5.4566 1.6661 C 0 0 0 0 0 0 0 0 0 -3.4689 6.0734 0.7020 O 0 0 0 0 0 0 0 0 0 -3.6528 5.8125 3.0066 C 0 0 0 0 0 0 0 0 0 4.0347 -0.6597 4.9484 C 0 0 0 0 0 0 0 0 0 5.0944 0.1960 5.5948 C 0 0 0 0 0 0 0 0 0 4.3758 -2.4892 6.2519 N 0 0 0 0 0 0 0 0 0 2.6831 -3.9859 6.3130 N 0 0 0 0 0 0 0 0 0 3.7883 -3.6039 6.7513 C 0 0 0 0 0 0 0 0 0 4.4059 -4.3046 7.7315 N 0 0 0 0 0 0 0 0 0 2.3498 -1.9907 3.3041 H 0 0 0 0 0 0 0 0 0 0.9548 -1.1234 1.5097 H 0 0 0 0 0 0 0 0 0 3.7506 1.9237 4.0813 H 0 0 0 0 0 0 0 0 0 2.3601 2.7690 2.2928 H 0 0 0 0 0 0 0 0 0 -0.3248 2.8653 -0.9755 H 0 0 0 0 0 0 0 0 0 -1.9669 4.6242 -0.6199 H 0 0 0 0 0 0 0 0 0 -0.2523 2.0988 3.1712 H 0 0 0 0 0 0 0 0 0 -1.8740 3.8497 3.5335 H 0 0 0 0 0 0 0 0 0 -4.0720 4.9348 3.4754 H 0 0 0 0 0 0 0 0 0 -2.8781 6.2284 3.6333 H 0 0 0 0 0 0 0 0 0 -4.4326 6.5480 2.8727 H 0 0 0 0 0 0 0 0 0 5.9224 -0.3975 5.9506 H 0 0 0 0 0 0 0 0 0 5.4932 0.8967 4.8774 H 0 0 0 0 0 0 0 0 0 4.6585 0.7358 6.4222 H 0 0 0 0 0 0 0 0 0 5.2158 -2.2084 6.6417 H 0 0 0 0 0 0 0 0 0 2.2552 -4.7771 6.6688 H 0 0 0 0 0 0 0 0 0 5.2635 -4.0112 8.0733 H 0 0 0 0 0 0 0 0 0 3.9952 -5.1026 8.0967 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 20 1 0 0 0 0 2 18 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 4 18 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 97911 > K $$$$ 98447 1016 111283D 98447 20 20 0 2 V2000 -0.0659 1.2599 0.3019 C 0 0 0 0 0 0 0 0 0 1.0196 1.9486 -0.2113 C 0 0 0 0 0 0 0 0 0 0.0678 -0.0579 0.7052 C 0 0 0 0 0 0 0 0 0 2.2446 1.3267 -0.3250 C 0 0 0 0 0 0 0 0 0 1.2851 -0.6953 0.5985 C 0 0 0 0 0 0 0 0 0 2.3888 -0.0059 0.0805 C 0 0 0 0 0 0 0 0 0 3.7611 -1.9420 -0.5441 C 0 0 0 0 0 0 0 0 0 -1.3758 1.9381 0.4259 N 0 3 0 0 0 0 0 0 0 -2.3332 1.3354 0.8770 O 0 0 0 0 0 0 0 0 0 -1.4960 3.0988 0.0770 O 0 5 0 0 0 0 0 0 0 3.6890 -0.6764 -0.0369 C 0 0 0 0 0 0 0 0 0 5.0052 -2.6509 -0.5261 C 0 0 0 0 0 0 0 0 0 5.9922 -3.2132 -0.5118 N 0 0 0 0 0 0 0 0 0 2.5925 -2.5606 -1.0943 C 0 0 0 0 0 0 0 0 0 1.6657 -3.0513 -1.5307 N 0 0 0 0 0 0 0 0 0 0.9065 2.9763 -0.5238 H 0 0 0 0 0 0 0 0 0 -0.7842 -0.5878 1.1048 H 0 0 0 0 0 0 0 0 0 3.0905 1.8653 -0.7260 H 0 0 0 0 0 0 0 0 0 1.3877 -1.7230 0.9139 H 0 0 0 0 0 0 0 0 0 4.5887 -0.1687 0.2778 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 11 20 1 0 0 0 0 12 13 3 0 0 0 0 14 15 3 0 0 0 0 M CHG 2 8 1 10 -1 M END > 98447 > K $$$$ 98542 1016 111283D 98542 51 53 0 1 V2000 -1.6321 -3.9549 -5.1406 N 0 0 0 0 0 0 0 0 0 -5.0977 -8.5363 -6.4661 C 0 0 0 0 0 0 0 0 0 -4.0326 -9.1539 -5.8177 C 0 0 0 0 0 0 0 0 0 -4.9999 -7.1891 -6.7976 C 0 0 0 0 0 0 0 0 0 -2.8671 -8.4599 -5.5089 C 0 0 0 0 0 0 0 0 0 -3.8319 -6.4977 -6.4965 C 0 0 0 0 0 0 0 0 0 -2.7547 -7.1187 -5.8725 C 0 0 0 0 0 0 0 0 0 -1.4743 -4.9163 -6.0796 C 0 0 0 0 0 0 0 0 0 -1.3144 -4.5561 -7.4175 C 0 0 0 0 0 0 0 0 0 -1.1900 -5.4947 -8.4375 C 0 0 0 0 0 0 0 0 0 -1.0313 -5.1005 -9.7642 C 0 0 0 0 0 0 0 0 0 -1.2797 -3.2016 -7.7417 C 0 0 0 0 0 0 0 0 0 -0.9754 -3.7450 -10.0795 C 0 0 0 0 0 0 0 0 0 -1.4206 -2.2386 -6.7507 C 0 0 0 0 0 0 0 0 0 -1.6039 -2.6382 -5.4361 C 0 0 0 0 0 0 0 0 0 -1.1031 -2.8053 -9.0611 C 0 0 0 0 0 0 0 0 0 -0.9275 -5.9858 -10.8016 O 0 0 0 0 0 0 0 0 0 -0.6997 -7.3543 -10.5315 C 0 0 0 0 0 0 0 0 0 -0.7944 -3.4075 -11.3936 O 0 0 0 0 0 0 0 0 0 -0.7751 -2.0441 -11.7699 C 0 0 0 0 0 0 0 0 0 -6.0720 -6.6004 -7.4085 O 0 0 0 0 0 0 0 0 0 -5.8870 -5.3683 -8.0784 C 0 0 0 0 0 0 0 0 0 -1.4861 -6.3423 -5.5959 C 0 0 0 0 0 0 0 0 0 -6.2537 -9.1840 -6.8053 O 0 0 0 0 0 0 0 0 0 -6.4759 -10.5047 -6.3537 C 0 0 0 0 0 0 0 0 0 -1.7507 -9.1773 -4.7855 C 0 0 0 0 0 0 0 0 0 -0.7132 -8.6084 -4.5450 O 0 0 0 0 0 0 0 0 0 -1.8720 -10.6031 -4.3372 C 0 0 0 0 0 0 0 0 0 -4.1112 -10.1655 -5.5575 H 0 0 0 0 0 0 0 0 0 -3.7681 -5.4832 -6.7478 H 0 0 0 0 0 0 0 0 0 -1.2178 -6.5167 -8.2064 H 0 0 0 0 0 0 0 0 0 -1.3907 -1.2158 -6.9869 H 0 0 0 0 0 0 0 0 0 -1.7197 -1.9251 -4.6740 H 0 0 0 0 0 0 0 0 0 -1.0665 -1.7817 -9.2863 H 0 0 0 0 0 0 0 0 0 -0.5214 -7.8555 -11.4716 H 0 0 0 0 0 0 0 0 0 0.1714 -7.4834 -9.9046 H 0 0 0 0 0 0 0 0 0 -1.5652 -7.7992 -10.0626 H 0 0 0 0 0 0 0 0 0 -1.7147 -1.5698 -11.5244 H 0 0 0 0 0 0 0 0 0 0.0401 -1.5238 -11.2873 H 0 0 0 0 0 0 0 0 0 -0.6318 -1.9854 -12.8390 H 0 0 0 0 0 0 0 0 0 -5.0895 -5.4392 -8.8060 H 0 0 0 0 0 0 0 0 0 -6.8029 -5.1264 -8.5968 H 0 0 0 0 0 0 0 0 0 -5.6740 -4.5777 -7.3732 H 0 0 0 0 0 0 0 0 0 -1.3372 -6.3244 -4.5256 H 0 0 0 0 0 0 0 0 0 -0.6411 -6.8529 -6.0354 H 0 0 0 0 0 0 0 0 0 -5.7339 -11.1775 -6.7591 H 0 0 0 0 0 0 0 0 0 -6.4648 -10.5424 -5.2734 H 0 0 0 0 0 0 0 0 0 -7.4496 -10.8225 -6.6977 H 0 0 0 0 0 0 0 0 0 -0.9713 -10.8830 -3.8112 H 0 0 0 0 0 0 0 0 0 -2.7168 -10.7047 -3.6722 H 0 0 0 0 0 0 0 0 0 -1.9991 -11.2506 -5.1923 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 2 0 0 0 0 2 24 1 0 0 0 0 2 4 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 3 29 1 0 0 0 0 4 21 1 0 0 0 0 4 6 1 0 0 0 0 5 26 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 23 1 0 0 0 0 8 23 1 0 0 0 0 8 9 2 0 0 0 0 9 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 17 1 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 14 2 0 0 0 0 13 19 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END > 98542 > K $$$$ 98904 1016 111283D 98904 37 41 0 2 V2000 -0.0193 1.7804 0.0647 S 0 3 0 0 0 0 0 0 0 0.0075 -0.0030 0.1062 C 0 0 0 0 0 0 0 0 0 1.3281 -0.2560 -0.0120 C 0 0 0 0 0 0 0 0 0 1.6814 2.0408 -0.1020 C 0 0 0 0 0 0 0 0 0 2.4782 3.2505 -0.2076 C 0 0 0 0 0 0 0 0 0 1.8994 4.5234 -0.1840 C 0 0 0 0 0 0 0 0 0 2.7001 5.6384 -0.2873 C 0 0 0 0 0 0 0 0 0 3.8808 3.1321 -0.3376 C 0 0 0 0 0 0 0 0 0 4.0769 5.5156 -0.4152 C 0 0 0 0 0 0 0 0 0 4.6704 4.2705 -0.4405 C 0 0 0 0 0 0 0 0 0 4.4515 1.7744 -0.3578 C 0 0 0 0 0 0 0 0 0 3.6060 0.6673 -0.2500 C 0 0 0 0 0 0 0 0 0 4.1506 -0.6151 -0.2696 C 0 0 0 0 0 0 0 0 0 5.5125 -0.7831 -0.3939 C 0 0 0 0 0 0 0 0 0 5.8309 1.5909 -0.4834 C 0 0 0 0 0 0 0 0 0 6.3516 0.3161 -0.5004 C 0 0 0 0 0 0 0 0 0 2.2127 0.7978 -0.1213 N 0 0 0 0 0 0 0 0 0 1.8230 -1.6503 -0.0237 C 0 0 0 0 0 0 0 0 0 2.1679 -2.2812 1.1717 C 0 0 0 0 0 0 0 0 0 2.6289 -3.5817 1.1540 C 0 0 0 0 0 0 0 0 0 2.7497 -4.2596 -0.0457 C 0 0 0 0 0 0 0 0 0 2.4097 -3.6392 -1.2349 C 0 0 0 0 0 0 0 0 0 1.9413 -2.3416 -1.2300 C 0 0 0 0 0 0 0 0 0 -0.8150 -0.6965 0.2008 H 0 0 0 0 0 0 0 0 0 0.8293 4.6312 -0.0855 H 0 0 0 0 0 0 0 0 0 2.2517 6.6207 -0.2689 H 0 0 0 0 0 0 0 0 0 4.6885 6.4021 -0.4957 H 0 0 0 0 0 0 0 0 0 5.7421 4.1813 -0.5398 H 0 0 0 0 0 0 0 0 0 3.5054 -1.4772 -0.1869 H 0 0 0 0 0 0 0 0 0 5.9302 -1.7790 -0.4083 H 0 0 0 0 0 0 0 0 0 6.4862 2.4453 -0.5672 H 0 0 0 0 0 0 0 0 0 7.4174 0.1717 -0.5975 H 0 0 0 0 0 0 0 0 0 2.0747 -1.7528 2.1090 H 0 0 0 0 0 0 0 0 0 2.8962 -4.0713 2.0788 H 0 0 0 0 0 0 0 0 0 3.1113 -5.2772 -0.0543 H 0 0 0 0 0 0 0 0 0 2.5065 -4.1736 -2.1684 H 0 0 0 0 0 0 0 0 0 1.6716 -1.8601 -2.1584 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 17 1 0 0 0 0 4 5 1 0 0 0 0 5 8 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 1 1 M END > 98904 > K $$$$ 99016 1016 111283D 99016 52 57 1 1 V2000 0.0204 1.5050 -0.0344 C 0 0 0 0 0 0 0 0 0 1.2280 2.1882 -0.0335 C 0 0 0 0 0 0 0 0 0 0.0073 0.1163 -0.0306 C 0 0 0 0 0 0 0 0 0 1.1989 -0.6050 -0.0171 C 0 0 0 0 0 0 0 0 0 2.4090 0.0883 -0.0308 C 0 0 0 0 0 0 0 0 0 0.0352 -2.7593 0.7538 C 0 0 1 0 0 0 0 0 0 1.2263 -2.1270 0.0090 C 0 0 1 0 0 0 0 0 0 1.2459 -2.6121 -1.4520 C 0 0 0 0 0 0 0 0 0 2.5258 -2.1883 -2.1758 C 0 0 0 0 0 0 0 0 0 3.5998 -0.5792 -0.0397 N 0 0 0 0 0 0 0 0 0 4.4284 -0.0772 -0.0827 H 0 0 0 0 0 0 0 0 0 3.7095 -2.4971 -1.3745 N 0 0 0 0 0 0 0 0 0 0.1136 -4.2216 0.7588 N 0 0 0 0 0 0 0 0 0 -0.0046 -2.3303 2.1261 N 0 0 0 0 0 0 0 0 0 2.5795 -4.1366 0.8135 C 0 0 0 0 0 0 0 0 0 -0.8662 -2.2778 2.5682 H 0 0 0 0 0 0 0 0 0 3.6714 -2.0150 0.0077 C 0 0 2 0 0 0 0 0 0 2.4768 -2.6009 0.7839 C 0 0 1 0 0 0 0 0 0 1.3132 -4.7808 1.3815 C 0 0 0 0 0 0 0 0 0 1.1267 -2.0040 2.8164 C 0 0 0 0 0 0 0 0 0 2.3847 -2.1206 2.2257 C 0 0 0 0 0 0 0 0 0 1.0066 -1.5497 4.1236 C 0 0 0 0 0 0 0 0 0 3.3918 -1.3435 4.2805 C 0 0 0 0 0 0 0 0 0 2.1362 -1.2160 4.8568 C 0 0 0 0 0 0 0 0 0 3.5142 -1.7976 2.9738 C 0 0 0 0 0 0 0 0 0 2.4195 1.4773 -0.0350 C 0 0 0 0 0 0 0 0 0 -1.1101 -4.8705 1.2196 C 0 0 0 0 0 0 0 0 0 4.9550 -2.1867 -2.0701 C 0 0 0 0 0 0 0 0 0 -0.8835 2.0403 -0.0377 H 0 0 0 0 0 0 0 0 0 1.2420 3.2384 -0.0321 H 0 0 0 0 0 0 0 0 0 -0.9177 -0.3780 -0.0371 H 0 0 0 0 0 0 0 0 0 -0.8799 -2.4754 0.2530 H 0 0 0 0 0 0 0 0 0 1.1913 -3.6900 -1.4812 H 0 0 0 0 0 0 0 0 0 0.3884 -2.2263 -1.9849 H 0 0 0 0 0 0 0 0 0 2.5727 -2.7115 -3.1203 H 0 0 0 0 0 0 0 0 0 2.4940 -1.1274 -2.3824 H 0 0 0 0 0 0 0 0 0 2.7217 -4.5140 -0.1879 H 0 0 0 0 0 0 0 0 0 3.4325 -4.4420 1.4028 H 0 0 0 0 0 0 0 0 0 4.5872 -2.3229 0.4928 H 0 0 0 0 0 0 0 0 0 1.2749 -4.6249 2.4509 H 0 0 0 0 0 0 0 0 0 1.3611 -5.8453 1.2013 H 0 0 0 0 0 0 0 0 0 0.0561 -1.4584 4.5592 H 0 0 0 0 0 0 0 0 0 4.2493 -1.0960 4.8342 H 0 0 0 0 0 0 0 0 0 2.0396 -0.8686 5.8432 H 0 0 0 0 0 0 0 0 0 4.4739 -1.8909 2.5614 H 0 0 0 0 0 0 0 0 0 3.3341 1.9921 -0.0388 H 0 0 0 0 0 0 0 0 0 -1.0411 -5.9380 1.0690 H 0 0 0 0 0 0 0 0 0 -1.2647 -4.6729 2.2711 H 0 0 0 0 0 0 0 0 0 -1.9621 -4.5033 0.6657 H 0 0 0 0 0 0 0 0 0 5.0531 -1.1186 -2.2046 H 0 0 0 0 0 0 0 0 0 5.8004 -2.5473 -1.5021 H 0 0 0 0 0 0 0 0 0 4.9680 -2.6648 -3.0388 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 29 1 0 0 0 0 2 26 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 26 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 1 0 0 0 6 7 1 6 0 0 0 6 32 1 0 0 0 0 7 18 1 1 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 17 1 0 0 0 0 10 11 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 20 1 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 18 1 1 0 0 0 17 39 1 0 0 0 0 18 21 1 1 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 21 25 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END > 99016 > K $$$$ 99027 1016 111283D 99027 20 21 0 1 V2000 -3.0033 -3.2260 -1.8349 Br 0 0 0 0 0 0 0 0 0 -0.0668 1.3473 0.1968 O 0 0 0 0 0 0 0 0 0 1.0308 3.2720 0.2815 O 0 0 0 0 0 0 0 0 0 -1.1633 -0.7352 0.0991 C 0 0 0 0 0 0 0 0 0 -1.1488 -2.1223 0.0025 C 0 0 0 0 0 0 0 0 0 0.0221 -0.0118 0.0933 C 0 0 0 0 0 0 0 0 0 1.2324 -0.6918 -0.0162 C 0 0 0 0 0 0 0 0 0 0.0643 -2.7908 -0.1114 C 0 0 0 0 0 0 0 0 0 2.5094 0.0917 -0.0215 C 0 0 0 0 0 0 0 0 0 1.0908 2.0696 0.1918 C 0 0 0 0 0 0 0 0 0 2.4400 1.4231 0.0785 C 0 0 0 0 0 0 0 0 0 1.2549 -2.0768 -0.1187 C 0 0 0 0 0 0 0 0 0 -2.4343 -2.8988 0.0186 C 0 0 0 0 0 0 0 0 0 -2.0749 -0.2196 0.1789 H 0 0 0 0 0 0 0 0 0 0.0851 -3.8384 -0.1912 H 0 0 0 0 0 0 0 0 0 3.4380 -0.3931 -0.1020 H 0 0 0 0 0 0 0 0 0 3.3089 2.0113 0.0786 H 0 0 0 0 0 0 0 0 0 2.1699 -2.5861 -0.2019 H 0 0 0 0 0 0 0 0 0 -3.2040 -2.3446 0.5356 H 0 0 0 0 0 0 0 0 0 -2.2911 -3.8460 0.5181 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M END > 99027 > K $$$$ 99733 1016 111283D 99733 18 19 0 1 V2000 -1.0270 -0.6426 0.0080 O 0 0 0 0 0 0 0 0 0 -0.0345 1.3462 0.0068 N 0 0 0 0 0 0 0 0 0 1.1762 -0.7205 -0.0126 N 0 0 0 0 0 0 0 0 0 1.0864 3.2708 0.0085 O 0 0 0 0 0 0 0 0 0 3.5714 1.8407 -0.0215 N 0 0 0 0 0 0 0 0 0 3.4724 -0.8429 -0.0351 N 0 0 0 0 0 0 0 0 0 3.4663 -1.8145 -0.0403 H 0 0 0 0 0 0 0 0 0 4.5773 -0.2115 -0.0420 N 0 0 0 0 0 0 0 0 0 0.0068 -0.0202 0.0010 C 0 0 0 0 0 0 0 0 0 2.2963 -0.1613 -0.0204 C 0 0 0 0 0 0 0 0 0 2.4262 1.3257 -0.0140 C 0 0 0 0 0 0 0 0 0 1.1243 2.0634 0.0013 C 0 0 0 0 0 0 0 0 0 4.6829 1.0439 -0.0360 C 0 0 0 0 0 0 0 0 0 -1.2933 2.0465 0.0189 C 0 0 0 0 0 0 0 0 0 5.6371 1.4833 -0.0424 H 0 0 0 0 0 0 0 0 0 -2.1334 1.3656 0.0196 H 0 0 0 0 0 0 0 0 0 -1.3553 2.6676 0.9015 H 0 0 0 0 0 0 0 0 0 -1.3659 2.6784 -0.8552 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 10 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 11 2 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 7 1 0 0 0 0 8 13 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 M END > 99733 > K $$$$ 100856 1016 111283D 100856 45 47 0 1 V2000 4.1555 8.1567 -2.8946 O 0 0 0 0 0 0 0 0 0 3.5376 7.3950 -0.8882 N 0 0 0 0 0 0 0 0 0 -0.2132 8.0559 -6.3240 O 0 0 0 0 0 0 0 0 0 1.4147 6.5002 -0.6150 N 0 0 0 0 0 0 0 0 0 -1.2797 7.8598 -1.3754 H 0 0 0 0 0 0 0 0 0 -0.2061 7.2350 -10.3804 C 0 0 0 0 0 0 0 0 0 0.2469 8.4661 -9.9176 C 0 0 0 0 0 0 0 0 0 -0.6634 6.2808 -9.4774 C 0 0 0 0 0 0 0 0 0 -0.6652 6.5549 -8.1199 C 0 0 0 0 0 0 0 0 0 0.2452 8.7410 -8.5622 C 0 0 0 0 0 0 0 0 0 -0.2108 7.7863 -7.6595 C 0 0 0 0 0 0 0 0 0 2.0295 7.2929 -2.7489 C 0 0 0 0 0 0 0 0 0 1.1036 6.7203 -1.9304 C 0 0 0 0 0 0 0 0 0 3.3018 7.6399 -2.1854 C 0 0 0 0 0 0 0 0 0 -0.2240 6.3465 -2.4711 C 0 0 0 0 0 0 0 0 0 -0.3393 5.2831 -3.3706 C 0 0 0 0 0 0 0 0 0 -1.5796 4.9384 -3.8693 C 0 0 0 0 0 0 0 0 0 -2.7098 5.6412 -3.4752 C 0 0 0 0 0 0 0 0 0 -1.3645 7.0465 -2.0692 C 0 0 0 0 0 0 0 0 0 -2.5988 6.6960 -2.5803 C 0 0 0 0 0 0 0 0 0 2.6329 6.8459 -0.1243 C 0 0 0 0 0 0 0 0 0 -0.2088 6.9623 -11.7426 N 0 0 0 0 0 0 0 0 0 2.9173 6.6144 1.1887 N 0 0 0 0 0 0 0 0 0 0.6213 9.1110 -5.8029 C 0 0 0 0 0 0 0 0 0 0.9194 8.8428 -4.3246 C 0 0 0 0 0 0 0 0 0 1.7397 7.5572 -4.1970 C 0 0 0 0 0 0 0 0 0 0.7534 6.0903 -0.0267 H 0 0 0 0 0 0 0 0 0 0.6003 9.2041 -10.6110 H 0 0 0 0 0 0 0 0 0 -1.0130 5.3305 -9.8321 H 0 0 0 0 0 0 0 0 0 -1.0178 5.8188 -7.4237 H 0 0 0 0 0 0 0 0 0 0.5941 9.6894 -8.2045 H 0 0 0 0 0 0 0 0 0 0.5343 4.7405 -3.6767 H 0 0 0 0 0 0 0 0 0 -1.6715 4.1243 -4.5614 H 0 0 0 0 0 0 0 0 0 -3.6701 5.3700 -3.8648 H 0 0 0 0 0 0 0 0 0 -3.4759 7.2355 -2.2799 H 0 0 0 0 0 0 0 0 0 0.1097 7.6267 -12.3757 H 0 0 0 0 0 0 0 0 0 -0.5282 6.1050 -12.0697 H 0 0 0 0 0 0 0 0 0 3.7842 6.8566 1.5514 H 0 0 0 0 0 0 0 0 0 2.2521 6.2054 1.7695 H 0 0 0 0 0 0 0 0 0 1.5591 9.1485 -6.3557 H 0 0 0 0 0 0 0 0 0 0.1089 10.0671 -5.8977 H 0 0 0 0 0 0 0 0 0 1.4826 9.6758 -3.9075 H 0 0 0 0 0 0 0 0 0 -0.0170 8.7312 -3.7815 H 0 0 0 0 0 0 0 0 0 2.6740 7.6669 -4.7443 H 0 0 0 0 0 0 0 0 0 1.1758 6.7246 -4.6076 H 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 14 1 0 0 0 0 2 21 2 0 0 0 0 3 11 1 0 0 0 0 3 24 1 0 0 0 0 4 21 1 0 0 0 0 4 13 1 0 0 0 0 4 27 1 0 0 0 0 5 19 1 0 0 0 0 6 22 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 15 19 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END > 100856 > K $$$$ 102811 1016 111283D 102811 32 34 1 1 V2000 3.4909 -4.7973 3.4877 N 0 0 0 0 0 0 0 0 0 3.7634 -2.7861 2.2903 N 0 0 0 0 0 0 0 0 0 7.6089 -4.8222 2.8507 H 0 0 0 0 0 0 0 0 0 6.9724 -4.1472 2.5628 N 0 0 0 0 0 0 0 0 0 5.8047 -1.2863 -0.4385 O 0 0 0 0 0 0 0 0 0 7.2779 -3.0277 1.8632 N 0 0 0 0 0 0 0 0 0 4.8174 -5.0722 3.4489 C 0 0 0 0 0 0 0 0 0 5.6447 -4.1721 2.7930 C 0 0 0 0 0 0 0 0 0 5.0880 -3.0451 2.2310 C 0 0 0 0 0 0 0 0 0 6.1294 -2.3373 1.6616 C 0 0 0 0 0 0 0 0 0 6.0046 -1.0269 0.9412 C 0 0 1 0 0 0 0 0 0 7.2771 -0.1895 1.0701 C 0 0 1 0 0 0 0 0 0 8.0385 -0.6276 -0.1746 C 0 0 1 0 0 0 0 0 0 6.8654 -0.6758 -1.1490 C 0 0 1 0 0 0 0 0 0 2.9623 -3.6816 2.9196 C 0 0 0 0 0 0 0 0 0 5.2752 -6.2013 4.0449 N 0 0 0 0 0 0 0 0 0 8.1061 -0.7423 -3.2107 O 0 0 0 0 0 0 0 0 0 7.1839 -1.4609 -2.4184 C 0 0 0 0 0 0 0 0 0 9.0694 0.2774 -0.5140 O 0 0 0 0 0 0 0 0 0 6.9339 1.1808 1.0199 O 0 0 0 0 0 0 0 0 0 5.1722 -0.4720 1.3504 H 0 0 0 0 0 0 0 0 0 7.8308 -0.4012 1.9744 H 0 0 0 0 0 0 0 0 0 8.4341 -1.6233 -0.0257 H 0 0 0 0 0 0 0 0 0 6.5853 0.3330 -1.4216 H 0 0 0 0 0 0 0 0 0 1.9262 -3.5118 2.9689 H 0 0 0 0 0 0 0 0 0 4.6481 -6.7942 4.4880 H 0 0 0 0 0 0 0 0 0 6.2190 -6.4219 4.0341 H 0 0 0 0 0 0 0 0 0 8.1742 -1.1621 -4.0636 H 0 0 0 0 0 0 0 0 0 7.5946 -2.4248 -2.1514 H 0 0 0 0 0 0 0 0 0 6.2604 -1.6147 -2.9589 H 0 0 0 0 0 0 0 0 0 9.4057 0.0478 -1.3765 H 0 0 0 0 0 0 0 0 0 7.7366 1.6882 0.9277 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 15 2 0 0 0 0 2 15 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 10 2 0 0 0 0 7 16 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 21 1 0 0 0 0 12 20 1 1 0 0 0 12 13 1 6 0 0 0 12 22 1 0 0 0 0 13 19 1 1 0 0 0 13 14 1 6 0 0 0 13 23 1 0 0 0 0 14 18 1 6 0 0 0 14 24 1 1 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 M END > 102811 > K $$$$ 102815 1016 111283D 102815 76 81 1 1 V2000 8.4442 -12.8560 -4.4445 O 0 0 0 0 0 0 0 0 0 7.3615 -11.2530 -5.7549 O 0 0 0 0 0 0 0 0 0 9.8829 -5.8917 -5.5579 O 0 0 0 0 0 0 0 0 0 6.0466 -9.3915 -6.5532 O 0 0 0 0 0 0 0 0 0 7.9087 -13.4197 -6.7391 C 0 0 1 0 0 0 0 0 0 9.3230 -13.0052 -7.1678 C 0 0 1 0 0 0 0 0 0 7.5117 -12.6311 -5.4837 C 0 0 1 0 0 0 0 0 0 10.2960 -13.1037 -5.9824 C 0 0 2 0 0 0 0 0 0 9.7360 -12.3696 -4.7533 C 0 0 1 0 0 0 0 0 0 9.6275 -10.8921 -5.0247 C 0 0 0 0 0 0 0 0 0 3.8768 -5.1039 -8.0612 C 0 0 1 0 0 0 0 0 0 3.5608 -3.6026 -7.9910 C 0 0 2 0 0 0 0 0 0 5.2304 -5.4701 -7.4921 C 0 0 0 0 0 0 0 0 0 5.4977 -6.7966 -7.1842 C 0 0 0 0 0 0 0 0 0 6.7202 -7.1637 -6.6427 C 0 0 0 0 0 0 0 0 0 6.9433 -8.6114 -6.3388 C 0 0 0 0 0 0 0 0 0 8.2545 -9.0733 -5.7810 C 0 0 0 0 0 0 0 0 0 8.4165 -10.4265 -5.5166 C 0 0 0 0 0 0 0 0 0 4.7796 -2.8439 -8.5187 C 0 0 0 0 0 0 0 0 0 6.2221 -4.5176 -7.2687 C 0 0 0 0 0 0 0 0 0 7.7053 -6.2157 -6.3904 C 0 0 0 0 0 0 0 0 0 9.2771 -8.1609 -5.5387 C 0 0 0 0 0 0 0 0 0 10.6658 -9.9944 -4.8112 C 0 0 0 0 0 0 0 0 0 6.0158 -3.0724 -7.6484 C 0 0 1 0 0 0 0 0 0 7.4343 -4.8765 -6.6838 C 0 0 0 0 0 0 0 0 0 9.0189 -6.6944 -5.8103 C 0 0 0 0 0 0 0 0 0 10.4972 -8.6379 -5.0539 C 0 0 0 0 0 0 0 0 0 9.8496 -13.7446 -8.3240 N 0 0 0 0 0 0 0 0 0 9.6414 -15.1904 -8.3571 C 0 0 0 0 0 0 0 0 0 9.5748 -13.1050 -9.6086 C 0 0 0 0 0 0 0 0 0 11.5569 -12.5510 -6.3041 O 0 0 0 0 0 0 0 0 0 10.5823 -12.6779 -3.5170 C 0 0 0 0 0 0 0 0 0 7.0159 -13.2501 -7.8243 O 0 0 0 0 0 0 0 0 0 11.5978 -7.8882 -4.7771 O 0 0 0 0 0 0 0 0 0 8.2832 -3.8397 -6.4383 O 0 0 0 0 0 0 0 0 0 7.0990 -2.6393 -8.4488 O 0 0 0 0 0 0 0 0 0 7.6040 -1.3663 -8.0973 C 0 0 0 0 0 0 0 0 0 2.7707 -5.8728 -7.3979 C 0 0 0 0 0 0 0 0 0 1.8525 -6.3096 -8.0506 O 0 0 0 0 0 0 0 0 0 2.8292 -6.0630 -6.0510 O 0 0 0 0 0 0 0 0 0 1.8238 -6.9315 -5.5693 C 0 0 0 0 0 0 0 0 0 3.1625 -3.1090 -6.5933 C 0 0 0 0 0 0 0 0 0 2.4787 -3.3807 -8.8675 O 0 0 0 0 0 0 0 0 0 7.9256 -14.4625 -6.4571 H 0 0 0 0 0 0 0 0 0 9.2763 -11.9596 -7.4360 H 0 0 0 0 0 0 0 0 0 6.5482 -12.9987 -5.1600 H 0 0 0 0 0 0 0 0 0 10.4131 -14.1470 -5.7254 H 0 0 0 0 0 0 0 0 0 3.8822 -5.3883 -9.1032 H 0 0 0 0 0 0 0 0 0 4.7703 -7.5356 -7.3600 H 0 0 0 0 0 0 0 0 0 4.9952 -3.1947 -9.5181 H 0 0 0 0 0 0 0 0 0 4.5698 -1.7860 -8.5721 H 0 0 0 0 0 0 0 0 0 11.5958 -10.3313 -4.4601 H 0 0 0 0 0 0 0 0 0 5.9260 -2.5107 -6.7275 H 0 0 0 0 0 0 0 0 0 10.2338 -15.6301 -9.1468 H 0 0 0 0 0 0 0 0 0 9.9348 -15.6418 -7.4211 H 0 0 0 0 0 0 0 0 0 8.5997 -15.4111 -8.5460 H 0 0 0 0 0 0 0 0 0 8.5140 -13.1206 -9.8166 H 0 0 0 0 0 0 0 0 0 9.9127 -12.0783 -9.5925 H 0 0 0 0 0 0 0 0 0 10.0989 -13.6156 -10.4038 H 0 0 0 0 0 0 0 0 0 11.9026 -12.9969 -7.0728 H 0 0 0 0 0 0 0 0 0 10.1985 -12.1286 -2.6697 H 0 0 0 0 0 0 0 0 0 10.5280 -13.7342 -3.2989 H 0 0 0 0 0 0 0 0 0 11.6152 -12.4093 -3.6827 H 0 0 0 0 0 0 0 0 0 6.1220 -13.4014 -7.5352 H 0 0 0 0 0 0 0 0 0 11.5007 -6.9746 -5.0078 H 0 0 0 0 0 0 0 0 0 9.1400 -4.1110 -6.1429 H 0 0 0 0 0 0 0 0 0 8.4226 -1.1228 -8.7586 H 0 0 0 0 0 0 0 0 0 6.8395 -0.6090 -8.1986 H 0 0 0 0 0 0 0 0 0 7.9744 -1.3755 -7.0815 H 0 0 0 0 0 0 0 0 0 0.8455 -6.4968 -5.7187 H 0 0 0 0 0 0 0 0 0 1.8707 -7.8906 -6.0674 H 0 0 0 0 0 0 0 0 0 1.9785 -7.0871 -4.5116 H 0 0 0 0 0 0 0 0 0 3.0374 -2.0363 -6.6083 H 0 0 0 0 0 0 0 0 0 2.2232 -3.5559 -6.3023 H 0 0 0 0 0 0 0 0 0 3.9143 -3.3704 -5.8634 H 0 0 0 0 0 0 0 0 0 2.2501 -2.4564 -8.8927 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 26 2 0 0 0 0 4 16 2 0 0 0 0 5 33 1 0 0 0 0 5 7 1 6 0 0 0 5 6 1 0 0 0 0 5 44 1 1 0 0 0 6 28 1 1 0 0 0 6 8 1 0 0 0 0 6 45 1 6 0 0 0 7 46 1 6 0 0 0 8 31 1 0 0 0 0 8 9 1 6 0 0 0 8 47 1 1 0 0 0 9 10 1 6 0 0 0 9 32 1 1 0 0 0 10 18 2 0 0 0 0 10 23 1 0 0 0 0 11 38 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 11 48 1 1 0 0 0 12 43 1 0 0 0 0 12 19 1 1 0 0 0 12 42 1 6 0 0 0 13 20 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 19 24 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 27 2 0 0 0 0 23 52 1 0 0 0 0 24 36 1 1 0 0 0 24 53 1 6 0 0 0 25 35 1 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 40 1 0 0 0 0 38 39 2 0 0 0 0 40 41 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 43 76 1 0 0 0 0 M END > 102815 > K $$$$ 102866 1016 111283D 102866 35 38 1 1 V2000 -3.3504 -1.6386 4.1571 C 0 0 0 0 0 0 0 0 0 -1.5063 -1.2708 2.4919 C 0 0 0 0 0 0 0 0 0 -2.1944 -2.0127 3.5933 C 0 0 0 0 0 0 0 0 0 -4.0118 -2.5613 5.1440 C 0 0 0 0 0 0 0 0 0 -0.7994 -2.4517 1.8327 C 0 0 1 0 0 0 0 0 0 -1.4721 -3.2492 4.0365 C 0 0 1 0 0 0 0 0 0 -3.5772 -3.8229 5.2882 C 0 0 0 0 0 0 0 0 0 0.5608 -2.1873 1.2344 C 0 0 0 0 0 0 0 0 0 -2.4493 -4.3598 4.4400 C 0 0 1 0 0 0 0 0 0 0.1258 -4.5303 2.6314 C 0 0 0 0 0 0 0 0 0 0.8184 -4.5846 1.2865 C 0 0 1 0 0 0 0 0 0 0.2783 -5.3823 3.4748 O 0 0 0 0 0 0 0 0 0 -0.6907 -3.4631 2.8536 N 0 0 0 0 0 0 0 0 0 -0.5396 -4.8284 0.0942 S 0 0 0 0 0 0 0 0 0 -1.7680 -3.2499 0.5196 S 0 0 0 0 0 0 0 0 0 1.3680 -3.2676 0.9982 N 0 0 0 0 0 0 0 0 0 0.9248 -1.0655 0.9726 O 0 0 0 0 0 0 0 0 0 -3.0301 -4.9315 3.2887 O 0 0 0 0 0 0 0 0 0 1.7764 -5.7774 1.1996 C 0 0 0 0 0 0 0 0 0 2.2792 -5.9260 -0.1137 O 0 0 0 0 0 0 0 0 0 2.7020 -3.0866 0.4845 C 0 0 0 0 0 0 0 0 0 -3.7923 -0.7174 3.9125 H 0 0 0 0 0 0 0 0 0 -2.1907 -0.7841 1.8121 H 0 0 0 0 0 0 0 0 0 -0.7980 -0.5687 2.9080 H 0 0 0 0 0 0 0 0 0 -4.8191 -2.2151 5.7204 H 0 0 0 0 0 0 0 0 0 -0.8328 -3.0024 4.8735 H 0 0 0 0 0 0 0 0 0 -4.0334 -4.4504 5.9962 H 0 0 0 0 0 0 0 0 0 -1.8935 -5.1142 4.9809 H 0 0 0 0 0 0 0 0 0 -3.5584 -5.6799 3.5457 H 0 0 0 0 0 0 0 0 0 2.5921 -5.6280 1.8935 H 0 0 0 0 0 0 0 0 0 1.2391 -6.6737 1.4772 H 0 0 0 0 0 0 0 0 0 2.7790 -6.7344 -0.1736 H 0 0 0 0 0 0 0 0 0 2.9581 -2.0382 0.4135 H 0 0 0 0 0 0 0 0 0 3.4178 -3.5607 1.1408 H 0 0 0 0 0 0 0 0 0 2.7747 -3.5305 -0.4983 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 3 2 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 25 1 0 0 0 0 5 15 1 1 0 0 0 5 13 1 0 0 0 0 5 8 1 6 0 0 0 6 13 1 0 0 0 0 6 9 1 1 0 0 0 6 26 1 6 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 17 2 0 0 0 0 8 16 1 0 0 0 0 9 18 1 1 0 0 0 9 28 1 6 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 1 0 0 0 11 16 1 6 0 0 0 11 19 1 0 0 0 0 14 15 1 0 0 0 0 16 21 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END > 102866 > K $$$$ 103248 1016 111283D 103248 105111 1 1 V2000 -1.2286 0.8510 8.0036 C 0 0 0 0 0 0 0 0 0 -2.5981 0.5188 8.5933 C 0 0 0 0 0 0 0 0 0 0.2129 2.5716 7.2909 C 0 0 0 0 0 0 0 0 0 -3.6922 1.1096 7.7452 C 0 0 0 0 0 0 0 0 0 -5.0038 0.7271 7.9834 C 0 0 0 0 0 0 0 0 0 0.3426 4.0490 6.9171 C 0 0 1 0 0 0 0 0 0 -1.9957 2.4529 6.4663 C 0 0 1 0 0 0 0 0 0 -3.4106 2.0206 6.7440 C 0 0 0 0 0 0 0 0 0 -6.0337 1.2545 7.2217 C 0 0 0 0 0 0 0 0 0 -0.5531 4.3434 5.7111 C 0 0 1 0 0 0 0 0 0 -1.9873 3.9229 6.0421 C 0 0 0 0 0 0 0 0 0 -4.4376 2.5513 5.9792 C 0 0 0 0 0 0 0 0 0 -5.7490 2.1733 6.2129 C 0 0 0 0 0 0 0 0 0 -5.5585 0.0011 3.0541 C 0 0 0 0 0 0 0 0 0 -4.3338 0.4048 3.5589 C 0 0 0 0 0 0 0 0 0 -5.6181 -1.0072 2.1065 C 0 0 0 0 0 0 0 0 0 -3.1690 -0.1985 3.1154 C 0 0 0 0 0 0 0 0 0 0.7401 6.1629 4.5860 C 0 0 1 0 0 0 0 0 0 2.0510 6.3229 6.6873 C 0 0 0 0 0 0 0 0 0 -4.4528 -1.6111 1.6631 C 0 0 0 0 0 0 0 0 0 -3.2282 -1.2072 2.1679 C 0 0 0 0 0 0 0 0 0 1.9592 5.8105 5.3979 C 0 0 0 0 0 0 0 0 0 3.1451 6.0327 7.4837 C 0 0 0 0 0 0 0 0 0 -1.7142 2.5102 0.4377 C 0 0 0 0 0 0 0 0 0 -0.4604 4.2462 1.4938 C 0 0 1 0 0 0 0 0 0 1.9901 5.2157 2.6249 C 0 0 0 0 0 0 0 0 0 2.9677 5.0048 4.9064 C 0 0 0 0 0 0 0 0 0 4.1635 5.2225 6.9857 C 0 0 0 0 0 0 0 0 0 -1.8356 3.7900 -0.4170 C 0 0 0 0 0 0 0 0 0 -1.5271 4.9170 0.5983 C 0 0 0 0 0 0 0 0 0 2.9267 4.4111 3.5240 C 0 0 0 0 0 0 0 0 0 4.0694 4.7147 5.7019 C 0 0 0 0 0 0 0 0 0 -7.3206 0.8762 7.4595 O 0 0 0 0 0 0 0 0 0 -6.7550 2.6970 5.4584 O 0 0 0 0 0 0 0 0 0 3.2230 6.5365 8.7466 O 0 0 0 0 0 0 0 0 0 5.2483 4.9337 7.7574 O 0 0 0 0 0 0 0 0 0 -1.1743 2.2786 7.6674 N 0 0 0 0 0 0 0 0 0 0.7245 5.4059 3.3370 N 0 0 0 0 0 0 0 0 0 -1.4466 4.9475 3.5050 O 0 0 0 0 0 0 0 0 0 -0.4283 4.8926 2.8507 C 0 0 0 0 0 0 0 0 0 -0.5533 1.9967 2.5975 C 0 0 0 0 0 0 0 0 0 -0.8808 2.8456 1.5937 N 0 0 0 0 0 0 0 0 0 0.1483 2.3774 3.5117 O 0 0 0 0 0 0 0 0 0 -1.0071 0.7246 2.5814 O 0 0 0 0 0 0 0 0 0 -7.6116 -0.0772 8.5067 C 0 0 0 0 0 0 0 0 0 -6.4564 3.6657 4.4277 C 0 0 0 0 0 0 0 0 0 3.2242 7.9674 8.9518 C 0 0 0 0 0 0 0 0 0 6.3024 4.0929 7.2358 C 0 0 0 0 0 0 0 0 0 -0.5174 5.8422 5.3985 C 0 0 0 0 0 0 0 0 0 -0.0911 4.9167 8.1013 C 0 0 0 0 0 0 0 0 0 0.6926 4.5093 9.3487 C 0 0 0 0 0 0 0 0 0 -1.8350 0.2403 3.6612 C 0 0 0 0 0 0 0 0 0 -0.4539 0.6172 8.7313 H 0 0 0 0 0 0 0 0 0 -1.0698 0.2609 7.1014 H 0 0 0 0 0 0 0 0 0 -2.7198 -0.5621 8.6358 H 0 0 0 0 0 0 0 0 0 -2.6644 0.9266 9.6007 H 0 0 0 0 0 0 0 0 0 0.4941 1.9557 6.4383 H 0 0 0 0 0 0 0 0 0 0.8724 2.3498 8.1280 H 0 0 0 0 0 0 0 0 0 -5.2217 0.0190 8.7614 H 0 0 0 0 0 0 0 0 0 1.3766 4.2633 6.6665 H 0 0 0 0 0 0 0 0 0 -1.5797 1.8499 5.6680 H 0 0 0 0 0 0 0 0 0 -0.1991 3.7807 4.8499 H 0 0 0 0 0 0 0 0 0 -2.6149 4.0546 5.1638 H 0 0 0 0 0 0 0 0 0 -2.3687 4.5359 6.8566 H 0 0 0 0 0 0 0 0 0 -4.2174 3.2577 5.2009 H 0 0 0 0 0 0 0 0 0 -6.4626 0.4670 3.4006 H 0 0 0 0 0 0 0 0 0 -4.2869 1.1853 4.2919 H 0 0 0 0 0 0 0 0 0 -6.5683 -1.3206 1.7146 H 0 0 0 0 0 0 0 0 0 0.7571 7.2288 4.3630 H 0 0 0 0 0 0 0 0 0 1.2650 6.9461 7.0692 H 0 0 0 0 0 0 0 0 0 -4.4991 -2.3935 0.9280 H 0 0 0 0 0 0 0 0 0 -2.3242 -1.6756 1.8245 H 0 0 0 0 0 0 0 0 0 -2.7025 2.1935 0.7688 H 0 0 0 0 0 0 0 0 0 -1.2460 1.7189 -0.1454 H 0 0 0 0 0 0 0 0 0 0.5157 4.3119 1.0167 H 0 0 0 0 0 0 0 0 0 2.4359 6.1815 2.3971 H 0 0 0 0 0 0 0 0 0 1.8260 4.6680 1.7000 H 0 0 0 0 0 0 0 0 0 -1.1014 3.7857 -1.2231 H 0 0 0 0 0 0 0 0 0 -2.8436 3.8936 -0.8177 H 0 0 0 0 0 0 0 0 0 -2.4144 5.1740 1.1779 H 0 0 0 0 0 0 0 0 0 -1.1258 5.7980 0.0977 H 0 0 0 0 0 0 0 0 0 2.5733 3.3829 3.5849 H 0 0 0 0 0 0 0 0 0 3.9299 4.4211 3.1010 H 0 0 0 0 0 0 0 0 0 4.8554 4.0921 5.3163 H 0 0 0 0 0 0 0 0 0 -8.6857 -0.2559 8.5485 H 0 0 0 0 0 0 0 0 0 -7.0980 -1.0159 8.3009 H 0 0 0 0 0 0 0 0 0 -7.2744 0.3166 9.4651 H 0 0 0 0 0 0 0 0 0 -5.9814 4.5399 4.8724 H 0 0 0 0 0 0 0 0 0 -5.7837 3.2239 3.6930 H 0 0 0 0 0 0 0 0 0 -7.3794 3.9692 3.9343 H 0 0 0 0 0 0 0 0 0 3.2941 8.1818 10.0191 H 0 0 0 0 0 0 0 0 0 4.0778 8.4110 8.4401 H 0 0 0 0 0 0 0 0 0 2.3038 8.3962 8.5585 H 0 0 0 0 0 0 0 0 0 6.7306 4.5519 6.3450 H 0 0 0 0 0 0 0 0 0 7.0805 3.9744 7.9894 H 0 0 0 0 0 0 0 0 0 5.8976 3.1144 6.9789 H 0 0 0 0 0 0 0 0 0 -1.3999 6.1178 4.8249 H 0 0 0 0 0 0 0 0 0 -0.5101 6.4085 6.3221 H 0 0 0 0 0 0 0 0 0 0.1037 5.9609 7.8821 H 0 0 0 0 0 0 0 0 0 -1.1555 4.7813 8.2798 H 0 0 0 0 0 0 0 0 0 0.4939 3.4634 9.5756 H 0 0 0 0 0 0 0 0 0 1.7576 4.6457 9.1692 H 0 0 0 0 0 0 0 0 0 0.3830 5.1262 10.1894 H 0 0 0 0 0 0 0 0 0 -1.9941 1.0298 4.3827 H 0 0 0 0 0 0 0 0 0 -1.3483 -0.6041 4.1475 H 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 1 2 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 2 4 1 0 0 0 0 2 55 1 0 0 0 0 2 56 1 0 0 0 0 3 37 1 0 0 0 0 3 6 1 0 0 0 0 3 57 1 0 0 0 0 3 58 1 0 0 0 0 4 8 2 0 0 0 0 4 5 1 0 0 0 0 5 9 2 0 0 0 0 5 59 1 0 0 0 0 6 10 1 1 0 0 0 6 50 1 6 0 0 0 6 60 1 0 0 0 0 7 37 1 6 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 61 1 1 0 0 0 8 12 1 0 0 0 0 9 33 1 0 0 0 0 9 13 1 0 0 0 0 10 49 1 0 0 0 0 10 11 1 6 0 0 0 10 62 1 1 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 12 13 2 0 0 0 0 12 65 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 66 1 0 0 0 0 15 17 2 0 0 0 0 15 67 1 0 0 0 0 16 20 1 0 0 0 0 16 68 1 0 0 0 0 17 52 1 0 0 0 0 17 21 1 0 0 0 0 18 38 1 1 0 0 0 18 22 1 0 0 0 0 18 49 1 6 0 0 0 18 69 1 0 0 0 0 19 23 1 0 0 0 0 19 22 2 0 0 0 0 19 70 1 0 0 0 0 20 21 2 0 0 0 0 20 71 1 0 0 0 0 21 72 1 0 0 0 0 22 27 1 0 0 0 0 23 35 1 0 0 0 0 23 28 2 0 0 0 0 24 42 1 0 0 0 0 24 29 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 42 1 0 0 0 0 25 40 1 6 0 0 0 25 30 1 1 0 0 0 25 75 1 0 0 0 0 26 38 1 0 0 0 0 26 31 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 31 1 0 0 0 0 27 32 2 0 0 0 0 28 36 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 31 82 1 0 0 0 0 31 83 1 0 0 0 0 32 84 1 0 0 0 0 33 45 1 0 0 0 0 34 46 1 0 0 0 0 35 47 1 0 0 0 0 36 48 1 0 0 0 0 38 40 1 0 0 0 0 39 40 2 0 0 0 0 41 44 1 0 0 0 0 41 43 2 0 0 0 0 41 42 1 0 0 0 0 44 52 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 48 94 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 49 97 1 0 0 0 0 49 98 1 0 0 0 0 50 51 1 0 0 0 0 50 99 1 0 0 0 0 50100 1 0 0 0 0 51101 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 52104 1 0 0 0 0 52105 1 0 0 0 0 M END > 103248 > K $$$$ 104117 1016 111283D 104117 44 46 0 1 V2000 -0.4708 -0.5027 0.1380 C 0 0 0 0 0 0 0 0 0 -1.4683 -1.3045 -0.3650 C 0 0 0 0 0 0 0 0 0 0.8354 -0.6413 -0.3486 C 0 0 0 0 0 0 0 0 0 -1.1832 -2.2502 -1.3542 C 0 0 0 0 0 0 0 0 0 1.1282 -1.5888 -1.3384 C 0 0 0 0 0 0 0 0 0 0.1229 -2.3839 -1.8347 C 0 0 0 0 0 0 0 0 0 -2.0086 -3.0108 -5.8941 Cl 0 0 0 0 0 0 0 0 0 -5.9383 -2.9088 -0.3475 Cl 0 0 0 0 0 0 0 0 0 -2.1886 -3.0501 -1.8544 N 0 0 0 0 0 0 0 0 0 2.9840 0.5576 -2.0003 N 0 0 0 0 0 0 0 0 0 2.8945 0.6836 -0.6491 C 0 0 0 0 0 0 0 0 0 4.1764 0.8569 -2.3634 C 0 0 0 0 0 0 0 0 0 4.9685 1.1995 -1.3124 O 0 0 0 0 0 0 0 0 0 4.1047 1.4631 -0.2951 C 0 0 0 0 0 0 0 0 0 4.2956 2.1775 0.6690 O 0 0 0 0 0 0 0 0 0 -2.1116 -2.3839 -4.2060 C 0 0 0 0 0 0 0 0 0 -4.5197 -2.4872 -1.3779 C 0 0 0 0 0 0 0 0 0 -3.3344 -3.3922 -1.0206 C 0 0 0 0 0 0 0 0 0 -2.1087 -3.5551 -3.2196 C 0 0 0 0 0 0 0 0 0 1.9247 0.2110 0.1879 C 0 0 0 0 0 0 0 0 0 4.6642 0.8490 -3.7796 C 0 0 0 0 0 0 0 0 0 3.7961 0.4774 -4.8131 C 0 0 0 0 0 0 0 0 0 4.2499 0.4731 -6.1226 C 0 0 0 0 0 0 0 0 0 5.5616 0.8374 -6.4079 C 0 0 0 0 0 0 0 0 0 6.4247 1.2064 -5.3815 C 0 0 0 0 0 0 0 0 0 5.9798 1.2189 -4.0702 C 0 0 0 0 0 0 0 0 0 -0.6942 0.2181 0.8909 H 0 0 0 0 0 0 0 0 0 -2.4640 -1.2013 0.0035 H 0 0 0 0 0 0 0 0 0 2.1235 -1.6952 -1.7094 H 0 0 0 0 0 0 0 0 0 0.3426 -3.1040 -2.5899 H 0 0 0 0 0 0 0 0 0 -1.2588 -1.7420 -4.0075 H 0 0 0 0 0 0 0 0 0 -3.0288 -1.8152 -4.0879 H 0 0 0 0 0 0 0 0 0 -4.7782 -2.6264 -2.4231 H 0 0 0 0 0 0 0 0 0 -4.2474 -1.4495 -1.2076 H 0 0 0 0 0 0 0 0 0 -3.6172 -4.4295 -1.1833 H 0 0 0 0 0 0 0 0 0 -3.0838 -3.2541 0.0288 H 0 0 0 0 0 0 0 0 0 -1.1920 -4.1296 -3.3488 H 0 0 0 0 0 0 0 0 0 -2.9598 -4.2008 -3.4264 H 0 0 0 0 0 0 0 0 0 1.9315 0.4559 1.2243 H 0 0 0 0 0 0 0 0 0 2.7904 0.1971 -4.5967 H 0 0 0 0 0 0 0 0 0 3.5937 0.1910 -6.9131 H 0 0 0 0 0 0 0 0 0 5.9062 0.8328 -7.4145 H 0 0 0 0 0 0 0 0 0 7.4286 1.4835 -5.6058 H 0 0 0 0 0 0 0 0 0 6.6416 1.5058 -3.2847 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 2 4 2 0 0 0 0 2 28 1 0 0 0 0 3 20 1 0 0 0 0 3 5 1 0 0 0 0 4 9 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END > 104117 > K $$$$ 104129 1016 111283D 104129 53 55 0 1 V2000 0.5545 8.9680 -6.6321 Cl 0 0 0 0 0 0 0 0 0 2.2081 4.1827 -4.7471 Cl 0 0 0 0 0 0 0 0 0 -0.0518 1.3721 0.0224 N 0 0 0 0 0 0 0 0 0 -1.9007 0.3294 -1.0804 N 0 0 0 0 0 0 0 0 0 -1.5523 0.0859 1.1543 N 0 0 0 0 0 0 0 0 0 -0.5254 0.7982 1.1663 C 0 0 0 0 0 0 0 0 0 0.9763 3.5088 0.2748 C 0 0 0 0 0 0 0 0 0 2.1220 4.2925 0.3021 C 0 0 0 0 0 0 0 0 0 1.0729 2.1401 0.0597 C 0 0 0 0 0 0 0 0 0 2.3208 1.5561 -0.1160 C 0 0 0 0 0 0 0 0 0 3.3711 3.7098 0.1198 C 0 0 0 0 0 0 0 0 0 3.4672 2.3389 -0.0886 C 0 0 0 0 0 0 0 0 0 -2.2487 -0.1525 0.0189 C 0 0 0 0 0 0 0 0 0 -0.7446 1.1644 -1.2306 C 0 0 0 0 0 0 0 0 0 3.7518 7.8874 -4.4733 C 0 0 0 0 0 0 0 0 0 3.5821 6.5142 -4.3363 C 0 0 0 0 0 0 0 0 0 2.8230 8.6415 -5.1778 C 0 0 0 0 0 0 0 0 0 2.4691 5.8990 -4.9024 C 0 0 0 0 0 0 0 0 0 1.7172 8.0243 -5.7465 C 0 0 0 0 0 0 0 0 0 1.5412 6.6543 -5.6078 C 0 0 0 0 0 0 0 0 0 4.6072 5.7203 -3.5731 C 0 0 0 0 0 0 0 0 0 4.1080 5.5198 -2.1434 C 0 0 0 0 0 0 0 0 0 5.1376 4.7947 -1.2744 C 0 0 0 0 0 0 0 0 0 4.6138 4.5576 0.1441 C 0 0 0 0 0 0 0 0 0 -1.2535 2.4863 -1.8082 C 0 0 0 0 0 0 0 0 0 0.1556 0.4558 -2.2442 C 0 0 0 0 0 0 0 0 0 0.0874 0.9693 2.3624 N 0 0 0 0 0 0 0 0 0 -3.3499 -0.9321 0.0738 N 0 0 0 0 0 0 0 0 0 0.0340 3.9498 0.4164 H 0 0 0 0 0 0 0 0 0 2.0395 5.3277 0.4612 H 0 0 0 0 0 0 0 0 0 2.3950 0.5202 -0.2701 H 0 0 0 0 0 0 0 0 0 4.4073 1.8906 -0.2257 H 0 0 0 0 0 0 0 0 0 4.5860 8.3608 -4.0441 H 0 0 0 0 0 0 0 0 0 2.9561 9.6782 -5.2806 H 0 0 0 0 0 0 0 0 0 0.7040 6.1884 -6.0372 H 0 0 0 0 0 0 0 0 0 4.7659 4.7612 -4.0459 H 0 0 0 0 0 0 0 0 0 5.5488 6.2509 -3.5557 H 0 0 0 0 0 0 0 0 0 3.8911 6.4813 -1.6996 H 0 0 0 0 0 0 0 0 0 3.1962 4.9410 -2.1827 H 0 0 0 0 0 0 0 0 0 5.3858 3.8442 -1.7257 H 0 0 0 0 0 0 0 0 0 6.0351 5.3941 -1.2161 H 0 0 0 0 0 0 0 0 0 4.4060 5.5096 0.6121 H 0 0 0 0 0 0 0 0 0 5.3758 4.0570 0.7242 H 0 0 0 0 0 0 0 0 0 -1.8236 2.3008 -2.7068 H 0 0 0 0 0 0 0 0 0 -1.8890 2.9719 -1.0823 H 0 0 0 0 0 0 0 0 0 -0.4250 3.1362 -2.0480 H 0 0 0 0 0 0 0 0 0 -0.3981 0.2492 -3.1485 H 0 0 0 0 0 0 0 0 0 1.0065 1.0744 -2.4884 H 0 0 0 0 0 0 0 0 0 0.5022 -0.4763 -1.8229 H 0 0 0 0 0 0 0 0 0 -0.2794 0.5426 3.1512 H 0 0 0 0 0 0 0 0 0 0.8856 1.5111 2.4406 H 0 0 0 0 0 0 0 0 0 -3.6296 -1.3103 0.9206 H 0 0 0 0 0 0 0 0 0 -3.8564 -1.1109 -0.7324 H 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 3 9 1 0 0 0 0 4 14 1 0 0 0 0 4 13 2 0 0 0 0 5 13 1 0 0 0 0 5 6 2 0 0 0 0 6 27 1 0 0 0 0 7 9 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 11 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 12 2 0 0 0 0 10 31 1 0 0 0 0 11 24 1 0 0 0 0 11 12 1 0 0 0 0 12 32 1 0 0 0 0 13 28 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 33 1 0 0 0 0 16 21 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END > 104129 > K $$$$ 104801 1016 111283D 104801 25 25 0 1 V2000 0.0454 1.3446 0.0384 C 0 0 0 0 0 0 0 0 0 1.2253 1.2543 -0.2079 O 0 0 0 0 0 0 0 0 0 -0.9164 1.3962 -1.1199 C 0 0 0 0 0 0 0 0 0 -2.6699 2.1148 -0.8823 Br 0 0 0 0 0 0 0 0 0 -0.5093 0.9319 -2.3104 C 0 0 0 0 0 0 0 0 0 0.4589 0.5351 -2.3982 H 0 0 0 0 0 0 0 0 0 0.5346 1.8710 2.4237 C 0 0 0 0 0 0 0 0 0 0.1844 1.9620 3.7650 C 0 0 0 0 0 0 0 0 0 -0.3758 1.4008 1.4849 C 0 0 0 0 0 0 0 0 0 -1.6362 0.9968 1.9139 C 0 0 0 0 0 0 0 0 0 -1.0830 1.5759 4.1927 C 0 0 0 0 0 0 0 0 0 -1.9838 1.0893 3.2554 C 0 0 0 0 0 0 0 0 0 -1.5278 1.6353 5.4819 O 0 0 0 0 0 0 0 0 0 -0.6313 2.0697 6.4860 C 0 0 0 0 0 0 0 0 0 -1.3664 0.9419 -3.5413 C 0 0 0 0 0 0 0 0 0 -2.5052 1.4279 -3.5407 O 0 0 0 0 0 0 0 0 0 -0.8808 0.4044 -4.6850 O 0 0 0 0 0 0 0 0 0 1.4968 2.1634 2.1173 H 0 0 0 0 0 0 0 0 0 0.8892 2.3266 4.4506 H 0 0 0 0 0 0 0 0 0 -2.3387 0.6148 1.2347 H 0 0 0 0 0 0 0 0 0 -2.9389 0.7883 3.5714 H 0 0 0 0 0 0 0 0 0 0.2274 1.4150 6.5365 H 0 0 0 0 0 0 0 0 0 -0.3114 3.0854 6.3007 H 0 0 0 0 0 0 0 0 0 -1.1408 2.0400 7.4381 H 0 0 0 0 0 0 0 0 0 -1.5538 0.5035 -5.3489 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 5 15 1 0 0 0 0 5 6 1 0 0 0 0 7 9 2 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 11 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 25 1 0 0 0 0 M END > 104801 > K $$$$ 105014 1016 111283D 105014 31 33 1 1 V2000 7.3549 1.0066 6.3647 Cl 0 0 0 0 0 0 0 0 0 7.7939 -1.6117 5.9628 N 0 0 0 0 0 0 0 0 0 7.3020 -0.3341 4.0426 N 0 0 0 0 0 0 0 0 0 7.7774 -3.6231 2.9084 N 0 0 0 0 0 0 0 0 0 6.4236 -1.2945 -0.1278 O 0 0 0 0 0 0 0 0 0 7.2733 -1.6577 1.9968 N 0 0 0 0 0 0 0 0 0 7.9144 -2.7541 5.2441 C 0 0 0 0 0 0 0 0 0 7.7226 -2.6825 3.8727 C 0 0 0 0 0 0 0 0 0 7.4162 -1.4617 3.3132 C 0 0 0 0 0 0 0 0 0 7.4938 -2.9683 1.7586 C 0 0 0 0 0 0 0 0 0 7.4939 -0.4211 5.3814 C 0 0 0 0 0 0 0 0 0 6.9482 -0.6653 1.0207 C 0 0 1 0 0 0 0 0 0 8.1996 0.0436 0.5237 C 0 0 0 0 0 0 0 0 0 7.6304 0.6646 -0.7399 C 0 0 1 0 0 0 0 0 0 6.7295 -0.4678 -1.2372 C 0 0 1 0 0 0 0 0 0 8.2145 -3.9138 5.8796 N 0 0 0 0 0 0 0 0 0 7.7192 -0.5292 -3.4249 O 0 0 0 0 0 0 0 0 0 7.4108 -1.3259 -2.3006 C 0 0 0 0 0 0 0 0 0 6.8436 1.7823 -0.3845 O 0 0 0 0 0 0 0 0 0 7.4495 -3.4193 0.8090 H 0 0 0 0 0 0 0 0 0 6.2339 0.0497 1.4140 H 0 0 0 0 0 0 0 0 0 8.5654 0.7782 1.2247 H 0 0 0 0 0 0 0 0 0 8.9673 -0.6780 0.2867 H 0 0 0 0 0 0 0 0 0 8.3921 0.9347 -1.4597 H 0 0 0 0 0 0 0 0 0 5.8319 -0.0394 -1.6602 H 0 0 0 0 0 0 0 0 0 8.3397 -3.9183 6.8413 H 0 0 0 0 0 0 0 0 0 8.3041 -4.7394 5.3775 H 0 0 0 0 0 0 0 0 0 8.1052 -1.0792 -4.0998 H 0 0 0 0 0 0 0 0 0 8.3138 -1.7547 -1.8891 H 0 0 0 0 0 0 0 0 0 6.7372 -2.1260 -2.5748 H 0 0 0 0 0 0 0 0 0 7.4147 2.5052 -0.1428 H 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 7 2 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 3 9 1 0 0 0 0 4 10 2 0 0 0 0 4 8 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 12 1 0 0 0 0 6 10 1 0 0 0 0 6 9 1 0 0 0 0 7 16 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 20 1 0 0 0 0 12 13 1 1 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 1 0 0 0 14 15 1 6 0 0 0 14 24 1 0 0 0 0 15 18 1 6 0 0 0 15 25 1 1 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > 105014 > K $$$$ 105808 1016 111283D 105808 19 20 0 1 V2000 2.1349 6.2335 -0.3137 Br 0 0 0 0 0 0 0 0 0 -0.0703 4.0895 -0.0894 O 0 0 0 0 0 0 0 0 0 4.6330 1.6955 -0.3688 O 0 0 0 0 0 0 0 0 0 -0.0495 1.2670 0.0136 N 0 0 0 0 0 0 0 0 0 0.9962 3.5242 -0.1447 C 0 0 0 0 0 0 0 0 0 1.0714 2.0217 -0.0998 C 0 0 0 0 0 0 0 0 0 2.2571 4.3341 -0.2595 C 0 0 0 0 0 0 0 0 0 2.3103 1.3985 -0.1761 C 0 0 0 0 0 0 0 0 0 3.4557 3.7353 -0.3229 C 0 0 0 0 0 0 0 0 0 2.3784 0.0116 -0.1403 C 0 0 0 0 0 0 0 0 0 -0.0073 -0.0852 0.0557 C 0 0 0 0 0 0 0 0 0 1.2154 -0.7373 -0.0229 C 0 0 0 0 0 0 0 0 0 3.5529 2.2319 -0.2954 C 0 0 0 0 0 0 0 0 0 4.6478 4.5310 -0.4174 N 0 0 0 0 0 0 0 0 0 3.3095 -0.4725 -0.2017 H 0 0 0 0 0 0 0 0 0 -0.8976 -0.6361 0.1474 H 0 0 0 0 0 0 0 0 0 1.2592 -1.7864 0.0063 H 0 0 0 0 0 0 0 0 0 4.9267 4.6473 -1.3714 H 0 0 0 0 0 0 0 0 0 5.3958 4.1266 0.1113 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 5 2 0 0 0 0 3 13 2 0 0 0 0 4 11 1 0 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 M END > 105808 > K $$$$ 106296 1016 111283D 106296 34 36 0 1 V2000 0.1646 0.8743 -0.3122 N 0 0 0 0 0 0 0 0 0 -0.2633 0.5399 -1.2756 N 0 0 0 0 0 0 0 0 0 3.8122 2.8123 0.0698 C 0 0 0 0 0 0 0 0 0 3.4718 2.2185 -1.1398 C 0 0 0 0 0 0 0 0 0 2.9094 2.7848 1.1264 C 0 0 0 0 0 0 0 0 0 2.2502 1.5734 -1.2807 C 0 0 0 0 0 0 0 0 0 1.6888 2.1371 0.9841 C 0 0 0 0 0 0 0 0 0 1.3582 1.5194 -0.2153 C 0 0 0 0 0 0 0 0 0 -1.4929 -0.0398 -1.3428 C 0 0 0 0 0 0 0 0 0 -1.7391 -1.2399 -0.6765 C 0 0 0 0 0 0 0 0 0 -2.5059 0.5676 -2.0805 C 0 0 0 0 0 0 0 0 0 -2.2754 1.7647 -2.7514 C 0 0 0 0 0 0 0 0 0 -3.2883 2.3662 -3.4861 C 0 0 0 0 0 0 0 0 0 -2.9967 -1.8210 -0.7502 C 0 0 0 0 0 0 0 0 0 -3.7675 -0.0242 -2.1506 C 0 0 0 0 0 0 0 0 0 -4.5416 1.7736 -3.5543 C 0 0 0 0 0 0 0 0 0 -4.0098 -1.2185 -1.4827 C 0 0 0 0 0 0 0 0 0 -4.7807 0.5799 -2.8867 C 0 0 0 0 0 0 0 0 0 5.1486 3.4786 0.2298 C 0 0 0 0 0 0 0 0 0 -0.8067 -1.9034 0.0612 O 0 0 0 0 0 0 0 0 0 4.1377 2.2538 -1.9516 H 0 0 0 0 0 0 0 0 0 3.1476 3.2524 2.0367 H 0 0 0 0 0 0 0 0 0 1.9999 1.1230 -2.1957 H 0 0 0 0 0 0 0 0 0 1.0114 2.1135 1.7864 H 0 0 0 0 0 0 0 0 0 -1.3312 2.2238 -2.7069 H 0 0 0 0 0 0 0 0 0 -3.1052 3.2696 -3.9901 H 0 0 0 0 0 0 0 0 0 -3.1756 -2.7239 -0.2451 H 0 0 0 0 0 0 0 0 0 -5.3079 2.2284 -4.1106 H 0 0 0 0 0 0 0 0 0 -4.9569 -1.6718 -1.5275 H 0 0 0 0 0 0 0 0 0 -5.7324 0.1377 -2.9427 H 0 0 0 0 0 0 0 0 0 5.0906 4.4962 -0.1280 H 0 0 0 0 0 0 0 0 0 5.4423 3.4835 1.2695 H 0 0 0 0 0 0 0 0 0 5.8962 2.9441 -0.3383 H 0 0 0 0 0 0 0 0 0 0.0242 -1.4410 0.0543 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 20 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M END > 106296 > K $$$$ 106408 1016 111283D 106408 43 45 1 1 V2000 -2.1844 4.4357 -2.5113 H 0 0 0 0 0 0 0 0 0 -1.6315 3.7340 -2.1373 N 0 0 0 0 0 0 0 0 0 0.9616 1.2300 0.1924 O 0 0 0 0 0 0 0 0 0 -0.3880 0.9358 -1.4884 N 0 0 0 0 0 0 0 0 0 -0.4404 1.7142 -3.3994 H 0 0 0 0 0 0 0 0 0 -0.1544 5.4745 -1.5419 C 0 0 0 0 0 0 0 0 0 -0.4780 4.1130 -1.4848 C 0 0 0 0 0 0 0 0 0 0.9272 5.9981 -0.8438 C 0 0 0 0 0 0 0 0 0 0.3818 3.2678 -0.7724 C 0 0 0 0 0 0 0 0 0 1.7133 5.1625 -0.0674 C 0 0 0 0 0 0 0 0 0 0.3172 1.7642 -0.6802 C 0 0 0 0 0 0 0 0 0 1.4378 3.8064 -0.0437 C 0 0 0 0 0 0 0 0 0 -2.1610 2.4143 -2.3422 C 0 0 1 0 0 0 0 0 0 -1.1213 1.3371 -2.6501 C 0 0 2 0 0 0 0 0 0 -1.7371 0.0154 -3.1473 C 0 0 0 0 0 0 0 0 0 -1.1986 -0.9961 -2.1821 C 0 0 0 0 0 0 0 0 0 -0.4554 -0.3937 -1.2543 C 0 0 0 0 0 0 0 0 0 1.2489 7.4630 -0.9265 C 0 0 0 0 0 0 0 0 0 -0.8704 6.3708 -2.2763 O 0 0 0 0 0 0 0 0 0 -2.9472 2.1186 -1.2059 O 0 0 0 0 0 0 0 0 0 -4.2071 2.7662 -1.2022 C 0 0 0 0 0 0 0 0 0 -1.4711 -2.4744 -2.2685 C 0 0 0 0 0 0 0 0 0 -0.9754 -3.3499 -1.3814 C 0 0 0 0 0 0 0 0 0 -1.2634 -4.8174 -1.5012 C 0 0 0 0 0 0 0 0 0 -1.9481 -5.2350 -2.4026 O 0 0 0 0 0 0 0 0 0 -0.7682 -5.7074 -0.6106 N 0 0 0 0 0 0 0 0 0 2.5124 5.5464 0.4965 H 0 0 0 0 0 0 0 0 0 2.0484 3.1798 0.5393 H 0 0 0 0 0 0 0 0 0 -2.7955 2.4461 -3.2197 H 0 0 0 0 0 0 0 0 0 -2.8169 0.0259 -3.1051 H 0 0 0 0 0 0 0 0 0 -1.4022 -0.2095 -4.1495 H 0 0 0 0 0 0 0 0 0 0.0161 -0.8781 -0.4497 H 0 0 0 0 0 0 0 0 0 0.5115 8.0231 -0.3709 H 0 0 0 0 0 0 0 0 0 2.2284 7.6620 -0.5155 H 0 0 0 0 0 0 0 0 0 1.2348 7.7801 -1.9591 H 0 0 0 0 0 0 0 0 0 -1.1093 5.9966 -3.1159 H 0 0 0 0 0 0 0 0 0 -4.7891 2.4609 -2.0606 H 0 0 0 0 0 0 0 0 0 -4.7467 2.4835 -0.3102 H 0 0 0 0 0 0 0 0 0 -4.0989 3.8420 -1.2084 H 0 0 0 0 0 0 0 0 0 -2.0711 -2.8310 -3.0544 H 0 0 0 0 0 0 0 0 0 -0.3760 -3.0212 -0.5860 H 0 0 0 0 0 0 0 0 0 -0.9803 -6.6471 -0.7186 H 0 0 0 0 0 0 0 0 0 -0.2097 -5.4177 0.1262 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 13 1 0 0 0 0 2 7 1 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 14 1 0 0 0 0 6 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 18 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 27 1 0 0 0 0 12 28 1 0 0 0 0 13 20 1 6 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 22 1 0 0 0 0 16 17 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END > 106408 > K $$$$ 106995 1016 111283D 106995 33 35 0 1 V2000 2.1603 5.4361 -8.2727 N 0 0 0 0 0 0 0 0 0 4.5608 4.1994 -8.3526 N 0 0 0 0 0 0 0 0 0 5.8957 1.9849 -8.0250 O 0 0 0 0 0 0 0 0 0 3.5590 2.1240 -7.7158 C 0 0 0 0 0 0 0 0 0 2.4158 1.4098 -7.3800 C 0 0 0 0 0 0 0 0 0 3.4653 3.4775 -8.0179 C 0 0 0 0 0 0 0 0 0 1.1828 2.0514 -7.3468 C 0 0 0 0 0 0 0 0 0 2.2285 4.1160 -7.9799 C 0 0 0 0 0 0 0 0 0 1.0814 3.4028 -7.6449 C 0 0 0 0 0 0 0 0 0 5.6388 6.2333 -8.9902 C 0 0 0 0 0 0 0 0 0 4.4936 5.5198 -8.6478 C 0 0 0 0 0 0 0 0 0 5.5341 7.5858 -9.2852 C 0 0 0 0 0 0 0 0 0 3.2566 6.1581 -8.6038 C 0 0 0 0 0 0 0 0 0 4.3016 8.2247 -9.2386 C 0 0 0 0 0 0 0 0 0 3.1578 7.5131 -8.8961 C 0 0 0 0 0 0 0 0 0 0.4757 10.0838 -9.0166 C 0 0 0 0 0 0 0 0 0 1.7757 9.5433 -9.1485 O 0 0 0 0 0 0 0 0 0 1.8319 8.2169 -8.8459 C 0 0 0 0 0 0 0 0 0 0.8280 7.6162 -8.5412 O 0 0 0 0 0 0 0 0 0 6.8748 5.6687 -9.0525 O 0 0 0 0 0 0 0 0 0 -0.1550 3.9672 -7.5927 O 0 0 0 0 0 0 0 0 0 4.8749 1.4032 -7.7419 C 0 0 0 0 0 0 0 0 0 2.5441 0.0874 -7.0907 O 0 0 0 0 0 0 0 0 0 0.3157 1.5164 -7.0951 H 0 0 0 0 0 0 0 0 0 6.3976 8.1245 -9.5447 H 0 0 0 0 0 0 0 0 0 4.2362 9.2495 -9.4634 H 0 0 0 0 0 0 0 0 0 -0.2096 9.6002 -9.6990 H 0 0 0 0 0 0 0 0 0 0.1146 9.9653 -8.0040 H 0 0 0 0 0 0 0 0 0 0.5099 11.1381 -9.2491 H 0 0 0 0 0 0 0 0 0 6.8322 4.7417 -8.8299 H 0 0 0 0 0 0 0 0 0 -0.1105 4.8946 -7.8129 H 0 0 0 0 0 0 0 0 0 4.9101 0.3785 -7.5109 H 0 0 0 0 0 0 0 0 0 1.7014 -0.2992 -6.8708 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 8 2 0 0 0 0 2 11 1 0 0 0 0 2 6 2 0 0 0 0 3 22 2 0 0 0 0 4 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 23 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 M END > 106995 > K $$$$ 107067 1016 111283D 107067 57 60 1 1 V2000 -9.7376 0.5160 -4.6173 H 0 0 0 0 0 0 0 0 0 -8.0329 0.0552 -3.4775 O 0 0 0 0 0 0 0 0 0 -10.5908 -1.9457 -3.6826 O 0 0 0 0 0 0 0 0 0 -10.3793 0.4591 -1.1056 O 0 0 0 0 0 0 0 0 0 -11.7437 -0.9811 -1.5767 H 0 0 0 0 0 0 0 0 0 -8.1583 -0.1823 -0.6186 O 0 0 0 0 0 0 0 0 0 -8.1110 -1.9581 0.2849 H 0 0 0 0 0 0 0 0 0 -7.6681 -2.3078 -1.7248 C 0 0 2 0 0 0 0 0 0 -8.0533 -2.0473 -2.6944 H 0 0 0 0 0 0 0 0 0 -5.8421 -1.6390 -0.6939 H 0 0 0 0 0 0 0 0 0 -6.2043 -1.9499 -1.6304 C 0 0 0 0 0 0 0 0 0 -5.3396 -2.0085 -2.6591 C 0 0 0 0 0 0 0 0 0 -3.9039 -1.6341 -2.3718 C 0 0 0 0 0 0 0 0 0 -3.6422 -1.3938 -1.3823 H 0 0 0 0 0 0 0 0 0 -2.9446 -1.5898 -3.3077 C 0 0 0 0 0 0 0 0 0 -3.1745 -1.8004 -4.3070 H 0 0 0 0 0 0 0 0 0 -1.5294 -1.2392 -2.9406 C 0 0 0 0 0 0 0 0 0 1.4407 -0.6806 -2.6805 O 0 0 0 0 0 0 0 0 0 -1.7887 -1.3773 -5.9658 O 0 0 0 0 0 0 0 0 0 -9.0072 0.7757 -1.2285 C 0 0 1 0 0 0 0 0 0 -8.6870 1.0456 -2.7151 C 0 0 2 0 0 0 0 0 0 -9.4291 0.1106 -3.6654 C 0 0 2 0 0 0 0 0 0 -10.2600 -0.9726 -3.0456 C 0 0 0 0 0 0 0 0 0 -10.6750 -0.8269 -1.6105 C 0 0 1 0 0 0 0 0 0 -8.4829 -1.5634 -0.6507 C 0 0 2 0 0 0 0 0 0 -9.9963 -1.8347 -0.6864 C 0 0 1 0 0 0 0 0 0 -0.7543 -1.1783 -5.3750 C 0 0 0 0 0 0 0 0 0 -0.5945 -1.1000 -3.8954 C 0 0 0 0 0 0 0 0 0 0.5693 -0.9721 -6.0566 C 0 0 0 0 0 0 0 0 0 0.8568 -0.8296 -3.7255 C 0 0 0 0 0 0 0 0 0 -8.5134 2.4657 -3.2536 C 0 0 0 0 0 0 0 0 0 -8.8236 2.0093 -0.3506 C 0 0 0 0 0 0 0 0 0 -10.5880 -1.7060 0.7195 C 0 0 0 0 0 0 0 0 0 -7.7510 -3.8296 -1.5642 C 0 0 0 0 0 0 0 0 0 -5.7716 -2.4324 -4.0436 C 0 0 0 0 0 0 0 0 0 -1.2680 -1.0794 -1.6136 O 0 0 0 0 0 0 0 0 0 1.4601 -0.7707 -4.9374 N 0 0 0 0 0 0 0 0 0 -10.2116 -2.8336 -1.0328 H 0 0 0 0 0 0 0 0 0 0.8375 -1.8498 -6.6270 H 0 0 0 0 0 0 0 0 0 0.5313 -0.1028 -6.6972 H 0 0 0 0 0 0 0 0 0 -8.2858 2.4395 -4.3091 H 0 0 0 0 0 0 0 0 0 -9.4214 3.0294 -3.0981 H 0 0 0 0 0 0 0 0 0 -7.6972 2.9469 -2.7362 H 0 0 0 0 0 0 0 0 0 -9.0747 1.7479 0.6665 H 0 0 0 0 0 0 0 0 0 -7.7956 2.3374 -0.3858 H 0 0 0 0 0 0 0 0 0 -9.4777 2.8035 -0.6781 H 0 0 0 0 0 0 0 0 0 -11.6528 -1.8853 0.6888 H 0 0 0 0 0 0 0 0 0 -10.1334 -2.4371 1.3721 H 0 0 0 0 0 0 0 0 0 -10.4053 -0.7169 1.1144 H 0 0 0 0 0 0 0 0 0 -8.7631 -4.1803 -1.6909 H 0 0 0 0 0 0 0 0 0 -7.1389 -4.3112 -2.3128 H 0 0 0 0 0 0 0 0 0 -7.3970 -4.1172 -0.5841 H 0 0 0 0 0 0 0 0 0 -5.1296 -2.0250 -4.8080 H 0 0 0 0 0 0 0 0 0 -5.7427 -3.5107 -4.1019 H 0 0 0 0 0 0 0 0 0 -6.7674 -2.0893 -4.2750 H 0 0 0 0 0 0 0 0 0 -0.3714 -0.8076 -1.4470 H 0 0 0 0 0 0 0 0 0 2.4120 -0.6059 -5.0310 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 2 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 24 1 0 0 0 0 6 20 1 0 0 0 0 6 25 1 0 0 0 0 7 25 1 0 0 0 0 8 25 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 1 0 0 0 8 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 15 2 0 0 0 0 13 14 1 0 0 0 0 15 17 1 0 0 0 0 15 16 1 0 0 0 0 17 36 1 0 0 0 0 17 28 2 0 0 0 0 18 30 2 0 0 0 0 19 27 2 0 0 0 0 20 21 1 6 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 6 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 26 1 1 0 0 0 25 26 1 1 0 0 0 26 33 1 1 0 0 0 26 38 1 0 0 0 0 27 29 1 0 0 0 0 27 28 1 0 0 0 0 28 30 1 0 0 0 0 29 37 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 30 37 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 32 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 37 57 1 0 0 0 0 M END > 107067 > K $$$$ 107412 1016 111283D 107412 139147 1 1 V2000 -7.8300 3.9980 -12.8431 H 0 0 0 0 0 0 0 0 0 -7.6164 3.1753 -13.3115 N 0 0 0 0 0 0 0 0 0 -5.2471 2.3960 -7.3140 O 0 0 0 0 0 0 0 0 0 -5.3523 0.1060 -7.2660 O 0 0 0 0 0 0 0 0 0 -2.0410 -3.2118 -6.4339 O 0 0 0 0 0 0 0 0 0 -0.4767 -4.7377 -6.1895 O 0 0 0 0 0 0 0 0 0 15.4805 -14.7142 -2.3276 H 0 0 0 0 0 0 0 0 0 15.8152 -15.4129 -1.7418 N 0 0 0 0 0 0 0 0 0 10.6211 -6.4238 -4.0687 O 0 0 0 0 0 0 0 0 0 10.2374 -8.4056 -3.1567 O 0 0 0 0 0 0 0 0 0 10.1126 -13.8092 -3.2309 O 0 0 0 0 0 0 0 0 0 9.2272 -12.7922 -1.4061 O 0 0 0 0 0 0 0 0 0 7.7342 -8.3169 -4.5121 C 0 0 0 0 0 0 0 0 0 8.4251 -7.1643 -4.4263 C 0 0 0 0 0 0 0 0 0 8.1934 -9.5141 -3.7425 C 0 0 0 0 0 0 0 0 0 7.3960 -10.6487 -3.7226 C 0 0 0 0 0 0 0 0 0 7.7670 -11.7400 -2.9489 C 0 0 0 0 0 0 0 0 0 8.9305 -11.7058 -2.1886 C 0 0 0 0 0 0 0 0 0 9.3978 -9.4822 -3.0518 C 0 0 0 0 0 0 0 0 0 9.8250 -7.3118 -3.8726 C 0 0 0 0 0 0 0 0 0 9.7419 -10.5706 -2.2487 C 0 0 0 0 0 0 0 0 0 0.0639 -1.2738 -6.2895 C 0 0 0 0 0 0 0 0 0 -1.3743 -0.9076 -6.5349 C 0 0 0 0 0 0 0 0 0 0.4203 -2.5723 -6.2401 C 0 0 0 0 0 0 0 0 0 -1.7270 0.4246 -6.6963 C 0 0 0 0 0 0 0 0 0 -3.0473 0.7696 -6.9395 C 0 0 0 0 0 0 0 0 0 -0.7276 -3.5598 -6.2881 C 0 0 0 0 0 0 0 0 0 -2.3524 -1.8941 -6.6027 C 0 0 0 0 0 0 0 0 0 -4.0396 -0.2028 -7.0222 C 0 0 0 0 0 0 0 0 0 -3.6791 -1.5374 -6.8460 C 0 0 0 0 0 0 0 0 0 5.4120 -2.3099 -5.9567 C 0 0 0 0 0 0 0 0 0 4.2475 -3.0561 -6.0545 C 0 0 0 0 0 0 0 0 0 4.5941 -4.3821 -5.8299 C 0 0 0 0 0 0 0 0 0 5.9205 -4.4158 -5.4129 C 0 0 0 0 0 0 0 0 0 -5.6144 1.2517 -8.0650 C 0 0 1 0 0 0 0 0 0 -7.1094 1.3710 -8.3744 C 0 0 1 0 0 0 0 0 0 -7.3656 2.6765 -9.1502 C 0 0 1 0 0 0 0 0 0 -5.4386 3.6570 -7.9345 C 0 0 0 0 0 0 0 0 0 -6.9210 3.8709 -8.2911 C 0 0 1 0 0 0 0 0 0 10.3090 -13.6036 -1.8446 C 0 0 1 0 0 0 0 0 0 10.3442 -14.9767 -1.1545 C 0 0 1 0 0 0 0 0 0 11.3957 -15.8959 -1.7944 C 0 0 1 0 0 0 0 0 0 11.1090 -14.5675 -3.8945 C 0 0 0 0 0 0 0 0 0 11.2474 -15.9901 -3.3194 C 0 0 1 0 0 0 0 0 0 -7.0547 2.0468 -12.7387 C 0 0 0 0 0 0 0 0 0 -6.9062 1.1030 -13.7405 C 0 0 0 0 0 0 0 0 0 -7.3739 1.6491 -14.9233 C 0 0 0 0 0 0 0 0 0 -7.8202 2.9312 -14.6534 C 0 0 0 0 0 0 0 0 0 15.0336 -16.3116 -1.0308 C 0 0 0 0 0 0 0 0 0 15.8916 -17.1372 -0.3243 C 0 0 0 0 0 0 0 0 0 17.1915 -16.7503 -0.5946 C 0 0 0 0 0 0 0 0 0 17.1442 -15.6859 -1.4767 C 0 0 0 0 0 0 0 0 0 -8.4193 3.8932 -15.6328 C 0 0 0 0 0 0 0 0 0 -6.6712 1.8616 -11.2952 C 0 0 0 0 0 0 0 0 0 -6.2592 0.7920 -10.9132 O 0 0 0 0 0 0 0 0 0 -6.7799 2.9008 -10.4249 O 0 0 0 0 0 0 0 0 0 -7.0309 5.1721 -8.8584 O 0 0 0 0 0 0 0 0 0 -8.2057 5.4997 -9.5776 C 0 0 0 0 0 0 0 0 0 -5.0142 4.6770 -6.8760 C 0 0 0 0 0 0 0 0 0 -4.5054 3.8664 -9.1364 C 0 0 0 0 0 0 0 0 0 -7.6948 0.2671 -9.0385 O 0 0 0 0 0 0 0 0 0 -4.7460 -2.5958 -6.9230 C 0 0 0 0 0 0 0 0 0 0.9144 -0.2247 -6.1287 O 0 0 0 0 0 0 0 0 0 1.6985 -3.0928 -6.1520 N 0 0 0 0 0 0 0 0 0 2.8921 -2.4458 -6.3429 C 0 0 0 0 0 0 0 0 0 2.9019 -1.3150 -6.7603 O 0 0 0 0 0 0 0 0 0 3.7007 -5.5892 -6.0154 C 0 0 0 0 0 0 0 0 0 6.4417 -3.1392 -5.5495 N 0 0 0 0 0 0 0 0 0 18.3378 -14.9710 -2.0330 C 0 0 0 0 0 0 0 0 0 6.5913 -5.6700 -4.8982 C 0 0 0 0 0 0 0 0 0 5.8260 -6.5294 -4.5382 O 0 0 0 0 0 0 0 0 0 7.9339 -5.9245 -4.7944 N 0 0 0 0 0 0 0 0 0 13.5313 -16.4262 -0.9912 C 0 0 0 0 0 0 0 0 0 13.0534 -17.4106 -0.4755 O 0 0 0 0 0 0 0 0 0 12.7191 -15.4611 -1.5121 O 0 0 0 0 0 0 0 0 0 12.3585 -16.6371 -3.9293 O 0 0 0 0 0 0 0 0 0 12.4140 -18.0474 -3.8022 C 0 0 0 0 0 0 0 0 0 6.6126 -8.5061 -5.2615 O 0 0 0 0 0 0 0 0 0 10.5763 -14.6434 -5.3247 C 0 0 0 0 0 0 0 0 0 12.4378 -13.8034 -3.9117 C 0 0 0 0 0 0 0 0 0 11.0032 -10.5106 -1.4363 C 0 0 0 0 0 0 0 0 0 10.6420 -14.9263 0.2282 O 0 0 0 0 0 0 0 0 0 6.5137 -10.6740 -4.2942 H 0 0 0 0 0 0 0 0 0 7.1592 -12.5957 -2.9386 H 0 0 0 0 0 0 0 0 0 -0.9985 1.1788 -6.6357 H 0 0 0 0 0 0 0 0 0 -3.2789 1.7827 -7.0585 H 0 0 0 0 0 0 0 0 0 5.4892 -1.2796 -6.1572 H 0 0 0 0 0 0 0 0 0 -5.0695 1.1752 -8.9966 H 0 0 0 0 0 0 0 0 0 -7.5971 1.4524 -7.4129 H 0 0 0 0 0 0 0 0 0 -8.4370 2.7353 -9.2767 H 0 0 0 0 0 0 0 0 0 -7.4925 3.8475 -7.3733 H 0 0 0 0 0 0 0 0 0 11.2430 -13.1096 -1.6252 H 0 0 0 0 0 0 0 0 0 9.3708 -15.4231 -1.3011 H 0 0 0 0 0 0 0 0 0 11.1966 -16.8793 -1.3920 H 0 0 0 0 0 0 0 0 0 10.3370 -16.5312 -3.5379 H 0 0 0 0 0 0 0 0 0 -6.5066 0.1392 -13.6213 H 0 0 0 0 0 0 0 0 0 -7.3881 1.1740 -15.8600 H 0 0 0 0 0 0 0 0 0 15.6044 -17.9233 0.3099 H 0 0 0 0 0 0 0 0 0 18.0610 -17.1880 -0.2007 H 0 0 0 0 0 0 0 0 0 -9.0504 3.3660 -16.3327 H 0 0 0 0 0 0 0 0 0 -9.0085 4.6254 -15.1008 H 0 0 0 0 0 0 0 0 0 -7.6278 4.3968 -16.1682 H 0 0 0 0 0 0 0 0 0 -8.1226 6.5268 -9.9069 H 0 0 0 0 0 0 0 0 0 -8.3003 4.8801 -10.4576 H 0 0 0 0 0 0 0 0 0 -9.0935 5.4078 -8.9680 H 0 0 0 0 0 0 0 0 0 -3.9758 4.5214 -6.6186 H 0 0 0 0 0 0 0 0 0 -5.1405 5.6826 -7.2527 H 0 0 0 0 0 0 0 0 0 -5.6090 4.5547 -5.9833 H 0 0 0 0 0 0 0 0 0 -4.7018 3.1663 -9.9313 H 0 0 0 0 0 0 0 0 0 -4.6423 4.8662 -9.5228 H 0 0 0 0 0 0 0 0 0 -3.4765 3.7385 -8.8346 H 0 0 0 0 0 0 0 0 0 -7.4866 -0.5266 -8.5524 H 0 0 0 0 0 0 0 0 0 -5.2372 -2.6797 -5.9642 H 0 0 0 0 0 0 0 0 0 -5.4804 -2.3286 -7.6694 H 0 0 0 0 0 0 0 0 0 -4.3226 -3.5545 -7.1845 H 0 0 0 0 0 0 0 0 0 1.5768 -0.4322 -5.4783 H 0 0 0 0 0 0 0 0 0 1.7458 -4.0332 -5.9291 H 0 0 0 0 0 0 0 0 0 4.2748 -6.4752 -6.2522 H 0 0 0 0 0 0 0 0 0 3.1091 -5.7825 -5.1300 H 0 0 0 0 0 0 0 0 0 3.0509 -5.4290 -6.8643 H 0 0 0 0 0 0 0 0 0 7.3624 -2.8722 -5.3839 H 0 0 0 0 0 0 0 0 0 18.0655 -14.4305 -2.9270 H 0 0 0 0 0 0 0 0 0 18.7102 -14.2776 -1.2934 H 0 0 0 0 0 0 0 0 0 19.1123 -15.6863 -2.2689 H 0 0 0 0 0 0 0 0 0 8.5602 -5.2045 -4.9745 H 0 0 0 0 0 0 0 0 0 11.6111 -18.5082 -4.3597 H 0 0 0 0 0 0 0 0 0 13.3505 -18.3991 -4.2132 H 0 0 0 0 0 0 0 0 0 12.3653 -18.3631 -2.7700 H 0 0 0 0 0 0 0 0 0 6.5867 -7.9054 -5.9985 H 0 0 0 0 0 0 0 0 0 10.4515 -13.6427 -5.7118 H 0 0 0 0 0 0 0 0 0 11.2575 -15.1934 -5.9574 H 0 0 0 0 0 0 0 0 0 9.6114 -15.1292 -5.3257 H 0 0 0 0 0 0 0 0 0 12.8749 -13.7626 -2.9266 H 0 0 0 0 0 0 0 0 0 13.1369 -14.2855 -4.5790 H 0 0 0 0 0 0 0 0 0 12.2597 -12.7917 -4.2455 H 0 0 0 0 0 0 0 0 0 11.7987 -11.0072 -1.9723 H 0 0 0 0 0 0 0 0 0 11.2909 -9.4843 -1.2616 H 0 0 0 0 0 0 0 0 0 10.8472 -10.9989 -0.4845 H 0 0 0 0 0 0 0 0 0 9.9928 -14.3933 0.6742 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 45 1 0 0 0 0 2 48 1 0 0 0 0 3 35 1 0 0 0 0 3 38 1 0 0 0 0 4 29 1 0 0 0 0 4 35 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 27 2 0 0 0 0 7 8 1 0 0 0 0 8 49 1 0 0 0 0 8 52 1 0 0 0 0 9 20 2 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 40 1 0 0 0 0 11 43 1 0 0 0 0 12 18 1 0 0 0 0 12 40 1 0 0 0 0 13 78 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 14 72 1 0 0 0 0 14 20 1 0 0 0 0 15 19 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 83 1 0 0 0 0 17 18 1 0 0 0 0 17 84 1 0 0 0 0 18 21 2 0 0 0 0 19 21 1 0 0 0 0 21 81 1 0 0 0 0 22 63 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 28 2 0 0 0 0 23 25 1 0 0 0 0 24 64 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 25 85 1 0 0 0 0 26 29 1 0 0 0 0 26 86 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 30 62 1 0 0 0 0 31 68 1 0 0 0 0 31 32 2 0 0 0 0 31 87 1 0 0 0 0 32 65 1 0 0 0 0 32 33 1 0 0 0 0 33 67 1 0 0 0 0 33 34 2 0 0 0 0 34 68 1 0 0 0 0 34 70 1 0 0 0 0 35 36 1 1 0 0 0 35 88 1 6 0 0 0 36 61 1 6 0 0 0 36 37 1 1 0 0 0 36 89 1 0 0 0 0 37 56 1 6 0 0 0 37 39 1 1 0 0 0 37 90 1 0 0 0 0 38 39 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 39 57 1 1 0 0 0 39 91 1 0 0 0 0 40 41 1 6 0 0 0 40 92 1 1 0 0 0 41 82 1 6 0 0 0 41 42 1 0 0 0 0 41 93 1 0 0 0 0 42 75 1 0 0 0 0 42 44 1 1 0 0 0 42 94 1 6 0 0 0 43 44 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 44 76 1 6 0 0 0 44 95 1 0 0 0 0 45 54 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 46 96 1 0 0 0 0 47 48 2 0 0 0 0 47 97 1 0 0 0 0 48 53 1 0 0 0 0 49 73 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 50 98 1 0 0 0 0 51 52 2 0 0 0 0 51 99 1 0 0 0 0 52 69 1 0 0 0 0 53100 1 0 0 0 0 53101 1 0 0 0 0 53102 1 0 0 0 0 54 56 1 0 0 0 0 54 55 2 0 0 0 0 57 58 1 0 0 0 0 58103 1 0 0 0 0 58104 1 0 0 0 0 58105 1 0 0 0 0 59106 1 0 0 0 0 59107 1 0 0 0 0 59108 1 0 0 0 0 60109 1 0 0 0 0 60110 1 0 0 0 0 60111 1 0 0 0 0 61112 1 0 0 0 0 62113 1 0 0 0 0 62114 1 0 0 0 0 62115 1 0 0 0 0 63116 1 0 0 0 0 64 65 1 0 0 0 0 64117 1 0 0 0 0 65 66 2 0 0 0 0 67118 1 0 0 0 0 67119 1 0 0 0 0 67120 1 0 0 0 0 68121 1 0 0 0 0 69122 1 0 0 0 0 69123 1 0 0 0 0 69124 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 72125 1 0 0 0 0 73 75 1 0 0 0 0 73 74 2 0 0 0 0 76 77 1 0 0 0 0 77126 1 0 0 0 0 77127 1 0 0 0 0 77128 1 0 0 0 0 78129 1 0 0 0 0 79130 1 0 0 0 0 79131 1 0 0 0 0 79132 1 0 0 0 0 80133 1 0 0 0 0 80134 1 0 0 0 0 80135 1 0 0 0 0 81136 1 0 0 0 0 81137 1 0 0 0 0 81138 1 0 0 0 0 82139 1 0 0 0 0 M END > 107412 > K $$$$ 107415 1016 111283D 107415 31 34 1 1 V2000 0.0378 1.4285 -0.1101 N 0 0 0 0 0 0 0 0 0 0.3755 -1.7091 -1.9215 O 0 0 0 0 0 0 0 0 0 -0.4680 -3.7045 -2.5888 O 0 0 0 0 0 0 0 0 0 -0.6372 -2.5559 -2.2591 C 0 0 0 0 0 0 0 0 0 -1.9719 -1.9117 -2.1791 C 0 0 0 0 0 0 0 0 0 -1.7180 -0.6727 -1.7735 C 0 0 0 0 0 0 0 0 0 -0.2468 -0.4917 -1.5278 C 0 0 1 0 0 0 0 0 0 -0.0238 -0.0426 -0.0703 C 0 0 1 0 0 0 0 0 0 0.0904 0.7677 -2.3160 C 0 0 0 0 0 0 0 0 0 1.0863 -0.7638 0.7033 C 0 0 0 0 0 0 0 0 0 2.4329 -0.0514 0.6384 C 0 0 0 0 0 0 0 0 0 -2.6499 0.4805 -1.5511 C 0 0 0 0 0 0 0 0 0 2.2341 1.3876 1.1076 C 0 0 0 0 0 0 0 0 0 -0.5586 1.8096 -1.3904 C 0 0 1 0 0 0 0 0 0 -2.0697 1.6714 -1.3315 C 0 0 0 0 0 0 0 0 0 1.3276 2.0965 0.1074 C 0 0 0 0 0 0 0 0 0 -2.9024 -2.3439 -2.3985 H 0 0 0 0 0 0 0 0 0 -0.9193 -0.2965 0.4803 H 0 0 0 0 0 0 0 0 0 1.1612 0.8892 -2.3787 H 0 0 0 0 0 0 0 0 0 -0.3346 0.7645 -3.3100 H 0 0 0 0 0 0 0 0 0 0.7948 -0.7907 1.7445 H 0 0 0 0 0 0 0 0 0 1.1861 -1.7825 0.3574 H 0 0 0 0 0 0 0 0 0 3.1333 -0.5469 1.2954 H 0 0 0 0 0 0 0 0 0 2.8172 -0.0756 -0.3718 H 0 0 0 0 0 0 0 0 0 -3.6939 0.3618 -1.5687 H 0 0 0 0 0 0 0 0 0 1.7839 1.4044 2.0903 H 0 0 0 0 0 0 0 0 0 3.1885 1.8929 1.1479 H 0 0 0 0 0 0 0 0 0 -0.3089 2.8162 -1.6955 H 0 0 0 0 0 0 0 0 0 -2.6610 2.5121 -1.1158 H 0 0 0 0 0 0 0 0 0 1.8869 2.1678 -0.8149 H 0 0 0 0 0 0 0 0 0 1.1440 3.1026 0.4568 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 6 0 0 0 8 10 1 1 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 15 2 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 1 0 0 0 14 28 1 6 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 M END > 107415 > K $$$$ 109444 1016 111283D 109444 63 67 1 1 V2000 3.2753 1.6577 0.0759 N 0 0 0 0 0 0 0 0 0 -1.4017 2.0394 -0.6000 N 0 0 0 0 0 0 0 0 0 0.5092 1.8593 0.9152 C 0 0 0 0 0 0 0 0 0 1.3438 0.8838 1.7467 C 0 0 1 0 0 0 0 0 0 -0.6063 1.0970 0.1965 C 0 0 2 0 0 0 0 0 0 0.0059 0.0358 -0.7193 C 0 0 1 0 0 0 0 0 0 1.9610 -0.1705 0.8253 C 0 0 1 0 0 0 0 0 0 0.8456 -0.9367 0.1119 C 0 0 1 0 0 0 0 0 0 -1.1137 -0.7388 -1.4205 C 0 0 0 0 0 0 0 0 0 -2.5389 1.2914 -1.1480 C 0 0 0 0 0 0 0 0 0 -2.0326 0.2475 -2.1456 C 0 0 0 0 0 0 0 0 0 2.8387 0.5060 -0.1959 C 0 0 0 0 0 0 0 0 0 3.1325 -0.2364 -1.4654 C 0 0 0 0 0 0 0 0 0 3.6867 0.7225 -2.5211 C 0 0 0 0 0 0 0 0 0 4.7710 1.5893 -1.8711 C 0 0 0 0 0 0 0 0 0 4.1247 2.4591 -0.7926 C 0 0 0 0 0 0 0 0 0 2.4408 1.6371 2.4541 C 0 0 0 0 0 0 0 0 0 2.5003 3.0152 2.3665 C 0 0 0 0 0 0 0 0 0 3.5066 3.7063 3.0153 C 0 0 0 0 0 0 0 0 0 4.4530 3.0191 3.7520 C 0 0 0 0 0 0 0 0 0 4.3929 1.6407 3.8403 C 0 0 0 0 0 0 0 0 0 3.3843 0.9502 3.1951 C 0 0 0 0 0 0 0 0 0 -0.0329 -1.6114 1.1338 C 0 0 0 0 0 0 0 0 0 -0.1615 -2.9875 1.1338 C 0 0 0 0 0 0 0 0 0 -0.9674 -3.6065 2.0712 C 0 0 0 0 0 0 0 0 0 -1.6444 -2.8491 3.0085 C 0 0 0 0 0 0 0 0 0 -1.5150 -1.4727 3.0090 C 0 0 0 0 0 0 0 0 0 -0.7058 -0.8541 2.0747 C 0 0 0 0 0 0 0 0 0 -1.9568 3.0227 0.3396 C 0 0 0 0 0 0 0 0 0 0.0708 2.6119 1.5704 H 0 0 0 0 0 0 0 0 0 1.1480 2.3473 0.1789 H 0 0 0 0 0 0 0 0 0 0.7055 0.3948 2.4824 H 0 0 0 0 0 0 0 0 0 -1.2476 0.6127 0.9329 H 0 0 0 0 0 0 0 0 0 0.6389 0.5187 -1.4638 H 0 0 0 0 0 0 0 0 0 2.5586 -0.8648 1.4161 H 0 0 0 0 0 0 0 0 0 1.2839 -1.6895 -0.5433 H 0 0 0 0 0 0 0 0 0 -0.6804 -1.4309 -2.1426 H 0 0 0 0 0 0 0 0 0 -1.6890 -1.2960 -0.6812 H 0 0 0 0 0 0 0 0 0 -3.0692 0.7915 -0.3374 H 0 0 0 0 0 0 0 0 0 -3.2159 1.9793 -1.6545 H 0 0 0 0 0 0 0 0 0 -1.4778 0.7440 -2.9418 H 0 0 0 0 0 0 0 0 0 -2.8797 -0.2899 -2.5717 H 0 0 0 0 0 0 0 0 0 3.8665 -1.0171 -1.2657 H 0 0 0 0 0 0 0 0 0 2.2152 -0.6926 -1.8377 H 0 0 0 0 0 0 0 0 0 4.1184 0.1520 -3.3434 H 0 0 0 0 0 0 0 0 0 2.8846 1.3590 -2.8948 H 0 0 0 0 0 0 0 0 0 5.5285 0.9489 -1.4190 H 0 0 0 0 0 0 0 0 0 5.2315 2.2260 -2.6266 H 0 0 0 0 0 0 0 0 0 3.5225 3.2328 -1.2689 H 0 0 0 0 0 0 0 0 0 4.9057 2.9300 -0.1956 H 0 0 0 0 0 0 0 0 0 1.7608 3.5521 1.7909 H 0 0 0 0 0 0 0 0 0 3.5536 4.7831 2.9464 H 0 0 0 0 0 0 0 0 0 5.2396 3.5589 4.2583 H 0 0 0 0 0 0 0 0 0 5.1326 1.1037 4.4156 H 0 0 0 0 0 0 0 0 0 3.3353 -0.1263 3.2673 H 0 0 0 0 0 0 0 0 0 0.3675 -3.5793 0.4013 H 0 0 0 0 0 0 0 0 0 -1.0685 -4.6817 2.0708 H 0 0 0 0 0 0 0 0 0 -2.2745 -3.3326 3.7403 H 0 0 0 0 0 0 0 0 0 -2.0441 -0.8808 3.7412 H 0 0 0 0 0 0 0 0 0 -0.6019 0.2208 2.0774 H 0 0 0 0 0 0 0 0 0 -2.5589 3.7483 -0.2073 H 0 0 0 0 0 0 0 0 0 -2.5807 2.5123 1.0734 H 0 0 0 0 0 0 0 0 0 -1.1427 3.5373 0.8501 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 12 2 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 17 1 6 0 0 0 4 7 1 1 0 0 0 4 32 1 0 0 0 0 5 6 1 1 0 0 0 5 33 1 0 0 0 0 6 8 1 6 0 0 0 6 9 1 1 0 0 0 6 34 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 1 0 0 0 7 35 1 6 0 0 0 8 23 1 0 0 0 0 8 36 1 1 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END > 109444 > K $$$$ 111041 1016 111283D 111041 21 22 0 1 V2000 2.5265 -0.2191 0.4193 O 0 0 0 0 0 0 0 0 0 0.0485 0.0229 0.2585 H 0 0 0 0 0 0 0 0 0 0.0180 0.9906 0.1873 N 0 0 0 0 0 0 0 0 0 -2.1961 0.9063 0.0715 O 0 0 0 0 0 0 0 0 0 2.5003 0.9863 0.3293 C 0 0 0 0 0 0 0 0 0 1.1832 1.7083 0.1997 C 0 0 0 0 0 0 0 0 0 3.7897 1.7637 0.3472 C 0 0 0 0 0 0 0 0 0 1.1708 3.0498 0.0980 C 0 0 0 0 0 0 0 0 0 3.7673 3.0981 0.2408 C 0 0 0 0 0 0 0 0 0 -0.1436 3.7762 -0.0246 C 0 0 0 0 0 0 0 0 0 -1.1982 1.5841 0.0778 C 0 0 0 0 0 0 0 0 0 -1.2844 3.0754 -0.0340 C 0 0 0 0 0 0 0 0 0 2.4600 3.8277 0.1059 C 0 0 0 0 0 0 0 0 0 5.0512 1.0952 0.4774 N 0 0 0 0 0 0 0 0 0 2.4361 5.0746 0.0003 N 0 0 0 0 0 0 0 0 0 4.6692 3.6357 0.2518 H 0 0 0 0 0 0 0 0 0 -0.1653 4.8239 -0.1019 H 0 0 0 0 0 0 0 0 0 -2.2168 3.5498 -0.1171 H 0 0 0 0 0 0 0 0 0 5.1234 0.6542 1.3729 H 0 0 0 0 0 0 0 0 0 5.1611 0.4119 -0.2455 H 0 0 0 0 0 0 0 0 0 3.2520 5.6016 -0.0014 H 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 M END > 111041 > K $$$$ 111119 1016 111283D 111119 34 35 0 1 V2000 0.9485 4.2163 1.2095 O 0 0 0 0 0 0 0 0 0 2.3136 5.8792 1.6987 O 0 0 0 0 0 0 0 0 0 -0.5355 2.4564 0.7225 C 0 0 0 0 0 0 0 0 0 -1.6993 1.7331 0.9660 C 0 0 0 0 0 0 0 0 0 -0.2082 3.5541 1.5054 C 0 0 0 0 0 0 0 0 0 -1.0564 3.9296 2.5422 C 0 0 0 0 0 0 0 0 0 -2.5326 2.1239 2.0053 C 0 0 0 0 0 0 0 0 0 -0.6916 5.1168 3.3804 C 0 0 0 0 0 0 0 0 0 1.2896 5.2997 1.9675 C 0 0 0 0 0 0 0 0 0 0.4381 5.7780 3.1050 C 0 0 0 0 0 0 0 0 0 -2.2229 3.2220 2.8025 C 0 0 0 0 0 0 0 0 0 -2.1056 0.6426 0.2531 O 0 0 0 0 0 0 0 0 0 -1.2983 0.1945 -0.8188 C 0 0 0 0 0 0 0 0 0 -2.9868 3.6714 3.8418 O 0 0 0 0 0 0 0 0 0 -4.1850 2.9869 4.1523 C 0 0 0 0 0 0 0 0 0 0.8467 6.9694 3.9121 C 0 0 0 0 0 0 0 0 0 1.8689 7.5614 3.6586 O 0 0 0 0 0 0 0 0 0 0.0450 7.3718 4.9356 O 0 0 0 0 0 0 0 0 0 0.5411 8.5011 5.6239 C 0 0 0 0 0 0 0 0 0 -0.4517 8.8291 6.7322 C 0 0 0 0 0 0 0 0 0 0.1119 2.1836 -0.0558 H 0 0 0 0 0 0 0 0 0 -3.4057 1.5701 2.1772 H 0 0 0 0 0 0 0 0 0 -1.3146 5.4222 4.1704 H 0 0 0 0 0 0 0 0 0 -1.7685 -0.6700 -1.2642 H 0 0 0 0 0 0 0 0 0 -1.2065 0.9613 -1.5750 H 0 0 0 0 0 0 0 0 0 -0.3183 -0.0937 -0.4651 H 0 0 0 0 0 0 0 0 0 -3.9790 1.9612 4.4243 H 0 0 0 0 0 0 0 0 0 -4.6512 3.4774 4.9946 H 0 0 0 0 0 0 0 0 0 -4.8696 3.0174 3.3164 H 0 0 0 0 0 0 0 0 0 1.5080 8.2905 6.0612 H 0 0 0 0 0 0 0 0 0 0.6267 9.3498 4.9583 H 0 0 0 0 0 0 0 0 0 -0.1123 9.6905 7.2883 H 0 0 0 0 0 0 0 0 0 -1.4177 9.0393 6.2972 H 0 0 0 0 0 0 0 0 0 -0.5386 7.9826 7.3975 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 12 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 11 2 0 0 0 0 7 22 1 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 M END > 111119 > K $$$$ 113090 1016 111283D 113090 81 85 1 1 V2000 2.5832 -1.1056 0.4362 C 0 0 1 0 0 0 0 0 0 3.1393 -2.4131 -0.1437 C 0 0 2 0 0 0 0 0 0 3.8255 -0.5010 1.1153 C 0 0 0 0 0 0 0 0 0 5.0000 -1.4543 0.8534 C 0 0 0 0 0 0 0 0 0 4.6290 -2.1643 -0.4587 C 0 0 1 0 0 0 0 0 0 2.3049 -3.4748 -0.9137 C 0 0 1 0 0 0 0 0 0 1.0182 -3.1069 -1.6603 C 0 0 0 0 0 0 0 0 0 0.1833 -4.3703 -1.9150 C 0 0 0 0 0 0 0 0 0 5.3577 -3.5054 -0.6955 C 0 0 0 0 0 0 0 0 0 3.1498 -4.4948 -1.7179 C 0 0 1 0 0 0 0 0 0 0.9628 -5.4668 -2.6701 C 0 0 1 0 0 0 0 0 0 4.4423 -4.7274 -0.8945 C 0 0 0 0 0 0 0 0 0 2.3081 -5.8036 -1.9520 C 0 0 1 0 0 0 0 0 0 0.1076 -6.6574 -3.2085 C 0 0 1 0 0 0 0 0 0 -1.0216 -6.1060 -4.1087 C 0 0 0 0 0 0 0 0 0 -1.7393 -7.1641 -4.9549 C 0 0 0 0 0 0 0 0 0 3.0857 -6.7992 -2.8397 C 0 0 0 0 0 0 0 0 0 1.0400 -7.5043 -4.1191 C 0 0 1 0 0 0 0 0 0 -0.7454 -7.9216 -5.8335 C 0 0 1 0 0 0 0 0 0 2.2711 -7.9946 -3.3415 C 0 0 0 0 0 0 0 0 0 0.3819 -8.5810 -5.0193 C 0 0 0 0 0 0 0 0 0 -1.4295 -8.9066 -6.5776 O 0 0 0 0 0 0 0 0 0 1.3877 -9.1026 -6.0617 C 0 0 0 0 0 0 0 0 0 -0.5831 -7.4488 -2.0777 C 0 0 0 0 0 0 0 0 0 -0.1278 -9.8186 -4.2654 C 0 0 0 0 0 0 0 0 0 1.9820 -0.1257 -1.7997 C 0 0 0 0 0 0 0 0 0 2.0735 -6.5419 -0.6130 C 0 0 0 0 0 0 0 0 0 1.9342 -0.0756 -0.4617 C 0 0 0 0 0 0 0 0 0 1.2043 1.0671 0.1893 C 0 0 0 0 0 0 0 0 0 3.5936 -3.8674 -3.0597 C 0 0 0 0 0 0 0 0 0 4.9889 -1.1678 -1.5450 C 0 0 0 0 0 0 0 0 0 4.6755 0.0269 -1.4533 O 0 0 0 0 0 0 0 0 0 5.6707 -1.5484 -2.6534 O 0 0 0 0 0 0 0 0 0 1.8538 -1.3684 1.1906 H 0 0 0 0 0 0 0 0 0 3.2389 -2.9827 0.7752 H 0 0 0 0 0 0 0 0 0 4.0588 0.4661 0.6921 H 0 0 0 0 0 0 0 0 0 3.6676 -0.3764 2.1769 H 0 0 0 0 0 0 0 0 0 5.9438 -0.9290 0.8028 H 0 0 0 0 0 0 0 0 0 5.0503 -2.1728 1.6601 H 0 0 0 0 0 0 0 0 0 1.8742 -4.0275 -0.0919 H 0 0 0 0 0 0 0 0 0 0.4320 -2.4233 -1.0628 H 0 0 0 0 0 0 0 0 0 1.2374 -2.6453 -2.6100 H 0 0 0 0 0 0 0 0 0 -0.1608 -4.7515 -0.9659 H 0 0 0 0 0 0 0 0 0 -0.6796 -4.0630 -2.4857 H 0 0 0 0 0 0 0 0 0 5.9890 -3.4373 -1.5694 H 0 0 0 0 0 0 0 0 0 6.0129 -3.7154 0.1378 H 0 0 0 0 0 0 0 0 0 1.2376 -4.9763 -3.5886 H 0 0 0 0 0 0 0 0 0 5.0350 -5.5113 -1.3423 H 0 0 0 0 0 0 0 0 0 4.1688 -5.0460 0.1000 H 0 0 0 0 0 0 0 0 0 -1.7690 -5.6110 -3.5055 H 0 0 0 0 0 0 0 0 0 -0.6089 -5.3777 -4.7927 H 0 0 0 0 0 0 0 0 0 -2.2762 -7.8669 -4.3371 H 0 0 0 0 0 0 0 0 0 -2.4598 -6.6716 -5.5916 H 0 0 0 0 0 0 0 0 0 3.4345 -6.2985 -3.7295 H 0 0 0 0 0 0 0 0 0 3.9513 -7.1743 -2.3129 H 0 0 0 0 0 0 0 0 0 1.4383 -6.8018 -4.8398 H 0 0 0 0 0 0 0 0 0 -0.3040 -7.2060 -6.5159 H 0 0 0 0 0 0 0 0 0 2.9260 -8.5573 -3.9883 H 0 0 0 0 0 0 0 0 0 1.9843 -8.6435 -2.5291 H 0 0 0 0 0 0 0 0 0 -2.0339 -8.4870 -7.1812 H 0 0 0 0 0 0 0 0 0 0.8859 -9.7335 -6.7821 H 0 0 0 0 0 0 0 0 0 1.8455 -8.2789 -6.5908 H 0 0 0 0 0 0 0 0 0 2.1641 -9.6907 -5.5958 H 0 0 0 0 0 0 0 0 0 -0.8722 -6.7911 -1.2728 H 0 0 0 0 0 0 0 0 0 -1.4861 -7.9318 -2.4119 H 0 0 0 0 0 0 0 0 0 0.0433 -8.2315 -1.6866 H 0 0 0 0 0 0 0 0 0 -0.5023 -10.5467 -4.9712 H 0 0 0 0 0 0 0 0 0 0.6748 -10.2713 -3.7019 H 0 0 0 0 0 0 0 0 0 -0.9322 -9.5763 -3.5925 H 0 0 0 0 0 0 0 0 0 2.4985 -0.8939 -2.2900 H 0 0 0 0 0 0 0 0 0 1.4973 0.6081 -2.3738 H 0 0 0 0 0 0 0 0 0 1.4170 -5.9990 0.0475 H 0 0 0 0 0 0 0 0 0 1.6447 -7.5153 -0.7533 H 0 0 0 0 0 0 0 0 0 3.0049 -6.7253 -0.1019 H 0 0 0 0 0 0 0 0 0 0.4320 1.4557 -0.4592 H 0 0 0 0 0 0 0 0 0 0.7503 0.7426 1.1142 H 0 0 0 0 0 0 0 0 0 1.9123 1.8546 0.4029 H 0 0 0 0 0 0 0 0 0 3.9228 -2.8566 -2.9227 H 0 0 0 0 0 0 0 0 0 4.4105 -4.4251 -3.4934 H 0 0 0 0 0 0 0 0 0 2.8043 -3.8085 -3.7886 H 0 0 0 0 0 0 0 0 0 5.7756 -0.7764 -3.1974 H 0 0 0 0 0 0 0 0 0 1 28 1 6 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 34 1 1 0 0 0 2 5 1 0 0 0 0 2 6 1 6 0 0 0 2 35 1 1 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 31 1 6 0 0 0 5 9 1 0 0 0 0 6 10 1 6 0 0 0 6 7 1 0 0 0 0 6 40 1 1 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 11 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 12 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 13 1 0 0 0 0 10 12 1 1 0 0 0 10 30 1 6 0 0 0 11 13 1 1 0 0 0 11 14 1 0 0 0 0 11 47 1 6 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 17 1 6 0 0 0 13 27 1 1 0 0 0 14 18 1 6 0 0 0 14 15 1 0 0 0 0 14 24 1 1 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 19 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 20 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 21 1 0 0 0 0 18 20 1 1 0 0 0 18 56 1 6 0 0 0 19 22 1 0 0 0 0 19 21 1 1 0 0 0 19 57 1 6 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 28 2 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 29 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 33 1 0 0 0 0 31 32 2 0 0 0 0 33 81 1 0 0 0 0 M END > 113090 > K $$$$ 115493 1016 111283D 115493 79 82 1 1 V2000 -0.2516 7.0566 3.0542 O 0 0 0 0 0 0 0 0 0 -0.0863 1.3522 1.2189 C 0 0 1 0 0 0 0 0 0 0.2998 0.6817 -0.1296 C 0 0 1 0 0 0 0 0 0 0.6209 1.8874 -1.0347 C 0 0 0 0 0 0 0 0 0 0.3440 0.7237 2.5528 C 0 0 0 0 0 0 0 0 0 -0.1362 1.5303 3.7627 C 0 0 0 0 0 0 0 0 0 0.3043 3.1622 -0.2558 C 0 0 0 0 0 0 0 0 0 0.6265 2.7134 1.1678 C 0 0 1 0 0 0 0 0 0 0.1698 3.0430 3.7305 C 0 0 1 0 0 0 0 0 0 0.3115 3.6261 2.3333 C 0 0 0 0 0 0 0 0 0 -0.7901 3.8672 4.6330 C 0 0 1 0 0 0 0 0 0 -0.7298 3.3587 6.0873 C 0 0 0 0 0 0 0 0 0 -1.5217 4.2202 7.0763 C 0 0 1 0 0 0 0 0 0 0.1724 4.9469 2.1336 C 0 0 0 0 0 0 0 0 0 -0.2837 5.3274 4.6670 C 0 0 1 0 0 0 0 0 0 -1.1245 5.7025 6.9897 C 0 0 1 0 0 0 0 0 0 -0.1339 5.8736 3.2700 C 0 0 0 0 0 0 0 0 0 -1.1616 6.2246 5.5528 C 0 0 0 0 0 0 0 0 0 -2.8953 4.0163 6.8290 O 0 0 0 0 0 0 0 0 0 -1.9832 6.5057 7.7719 O 0 0 0 0 0 0 0 0 0 -2.2394 3.7752 4.1052 C 0 0 0 0 0 0 0 0 0 0.9992 5.3079 5.2654 O 0 0 0 0 0 0 0 0 0 -1.6293 1.4619 1.2120 C 0 0 0 0 0 0 0 0 0 1.3765 -0.4286 -0.2668 C 0 0 1 0 0 0 0 0 0 1.3525 -0.9458 -1.7137 C 0 0 0 0 0 0 0 0 0 2.6863 0.0739 -0.1192 O 0 0 0 0 0 0 0 0 0 1.1773 -1.6131 0.7034 C 0 0 1 0 0 0 0 0 0 -0.1735 -2.0251 0.7640 O 0 0 0 0 0 0 0 0 0 2.0881 -2.8245 0.4823 C 0 0 0 0 0 0 0 0 0 1.9838 -3.8257 1.6390 C 0 0 0 0 0 0 0 0 0 3.0099 -4.9647 1.5470 C 0 0 0 0 0 0 0 0 0 2.8852 -5.9035 2.7504 C 0 0 0 0 0 0 0 0 0 2.8517 -5.7828 0.2642 C 0 0 0 0 0 0 0 0 0 4.3123 -4.4267 1.5215 O 0 0 0 0 0 0 0 0 0 2.0195 2.5023 1.2474 O 0 0 0 0 0 0 0 0 0 -0.5927 0.2110 -0.5202 H 0 0 0 0 0 0 0 0 0 1.6786 1.9043 -1.2575 H 0 0 0 0 0 0 0 0 0 0.0674 1.8520 -1.9626 H 0 0 0 0 0 0 0 0 0 -0.0819 -0.2650 2.6434 H 0 0 0 0 0 0 0 0 0 1.4215 0.6626 2.5980 H 0 0 0 0 0 0 0 0 0 -1.1969 1.3562 3.8345 H 0 0 0 0 0 0 0 0 0 0.3047 1.1038 4.6525 H 0 0 0 0 0 0 0 0 0 0.9245 3.9842 -0.5816 H 0 0 0 0 0 0 0 0 0 -0.7358 3.4367 -0.3547 H 0 0 0 0 0 0 0 0 0 1.1635 3.1367 4.1461 H 0 0 0 0 0 0 0 0 0 -1.1127 2.3504 6.1464 H 0 0 0 0 0 0 0 0 0 0.3021 3.3453 6.4092 H 0 0 0 0 0 0 0 0 0 -1.3062 3.8729 8.0777 H 0 0 0 0 0 0 0 0 0 0.2728 5.3569 1.1732 H 0 0 0 0 0 0 0 0 0 -0.1099 5.8053 7.3510 H 0 0 0 0 0 0 0 0 0 -0.7731 7.2322 5.5471 H 0 0 0 0 0 0 0 0 0 -2.1802 6.2663 5.1987 H 0 0 0 0 0 0 0 0 0 -3.4021 4.5461 7.4382 H 0 0 0 0 0 0 0 0 0 -1.8878 6.2736 8.6902 H 0 0 0 0 0 0 0 0 0 -2.6275 2.7734 4.2056 H 0 0 0 0 0 0 0 0 0 -2.9136 4.4119 4.6539 H 0 0 0 0 0 0 0 0 0 -2.2907 4.0670 3.0673 H 0 0 0 0 0 0 0 0 0 1.3847 6.1805 5.2248 H 0 0 0 0 0 0 0 0 0 -1.9909 2.1167 1.9862 H 0 0 0 0 0 0 0 0 0 -1.9995 1.8403 0.2707 H 0 0 0 0 0 0 0 0 0 -2.0592 0.4811 1.3605 H 0 0 0 0 0 0 0 0 0 2.1501 -1.6562 -1.8706 H 0 0 0 0 0 0 0 0 0 0.4071 -1.4185 -1.9361 H 0 0 0 0 0 0 0 0 0 1.5072 -0.1349 -2.4093 H 0 0 0 0 0 0 0 0 0 2.7548 0.5638 0.6933 H 0 0 0 0 0 0 0 0 0 1.4736 -1.2630 1.6763 H 0 0 0 0 0 0 0 0 0 -0.4279 -2.4144 -0.0661 H 0 0 0 0 0 0 0 0 0 1.8016 -3.3147 -0.4353 H 0 0 0 0 0 0 0 0 0 3.1104 -2.4829 0.4033 H 0 0 0 0 0 0 0 0 0 2.1589 -3.2969 2.5656 H 0 0 0 0 0 0 0 0 0 0.9846 -4.2371 1.6666 H 0 0 0 0 0 0 0 0 0 3.6447 -6.6698 2.6916 H 0 0 0 0 0 0 0 0 0 3.0227 -5.3505 3.6679 H 0 0 0 0 0 0 0 0 0 1.9111 -6.3711 2.7613 H 0 0 0 0 0 0 0 0 0 1.8659 -6.2222 0.2190 H 0 0 0 0 0 0 0 0 0 3.0044 -5.1538 -0.5996 H 0 0 0 0 0 0 0 0 0 3.5941 -6.5669 0.2427 H 0 0 0 0 0 0 0 0 0 4.4841 -3.9432 2.3236 H 0 0 0 0 0 0 0 0 0 2.4812 3.3253 1.1165 H 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 8 1 6 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 23 1 1 0 0 0 3 24 1 0 0 0 0 3 4 1 6 0 0 0 3 36 1 1 0 0 0 4 7 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 9 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 35 1 6 0 0 0 8 10 1 0 0 0 0 9 11 1 1 0 0 0 9 10 1 0 0 0 0 9 45 1 6 0 0 0 10 14 2 0 0 0 0 11 15 1 6 0 0 0 11 12 1 0 0 0 0 11 21 1 1 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 19 1 1 0 0 0 13 16 1 6 0 0 0 13 48 1 0 0 0 0 14 17 1 0 0 0 0 14 49 1 0 0 0 0 15 22 1 6 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 16 20 1 1 0 0 0 16 18 1 0 0 0 0 16 50 1 6 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 1 0 0 0 24 25 1 6 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 6 0 0 0 27 66 1 1 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 34 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 M END > 115493 > K $$$$ 115538 1016 111283D 115538 45 47 0 1 V2000 7.9963 1.1854 5.1707 O 0 0 0 0 0 0 0 0 0 6.1940 -0.0858 5.2766 O 0 0 0 0 0 0 0 0 0 9.9329 2.5563 5.0346 C 0 0 0 0 0 0 0 0 0 10.9980 3.1784 5.6591 C 0 0 0 0 0 0 0 0 0 9.0387 1.7953 5.7741 C 0 0 0 0 0 0 0 0 0 9.2193 1.6583 7.1659 C 0 0 0 0 0 0 0 0 0 11.1843 3.0458 7.0490 C 0 0 0 0 0 0 0 0 0 8.2636 0.8508 7.9297 C 0 0 0 0 0 0 0 0 0 7.1184 0.4449 5.8653 C 0 0 0 0 0 0 0 0 0 7.2383 0.2653 7.2593 C 0 0 0 0 0 0 0 0 0 10.2924 2.2845 7.7995 C 0 0 0 0 0 0 0 0 0 10.8801 4.7609 9.4478 C 0 0 0 0 0 0 0 0 0 12.1451 4.3364 9.0354 C 0 0 0 0 0 0 0 0 0 10.7220 5.3429 10.6881 C 0 0 0 0 0 0 0 0 0 13.2417 4.5048 9.8830 C 0 0 0 0 0 0 0 0 0 11.8134 5.5067 11.5233 C 0 0 0 0 0 0 0 0 0 13.0694 5.0885 11.1210 C 0 0 0 0 0 0 0 0 0 12.3221 3.7114 7.7077 C 0 0 0 0 0 0 0 0 0 13.4067 3.7463 7.1590 O 0 0 0 0 0 0 0 0 0 11.8673 3.9199 4.9300 O 0 0 0 0 0 0 0 0 0 8.4154 0.6747 9.4187 C 0 0 0 0 0 0 0 0 0 6.2315 -0.5744 8.0023 C 0 0 0 0 0 0 0 0 0 5.3517 0.3188 8.8384 C 0 0 0 0 0 0 0 0 0 4.7160 -0.1458 9.7549 O 0 0 0 0 0 0 0 0 0 5.2741 1.6307 8.5648 O 0 0 0 0 0 0 0 0 0 4.3894 2.4827 9.3392 C 0 0 0 0 0 0 0 0 0 4.4939 3.9221 8.8312 C 0 0 0 0 0 0 0 0 0 9.7969 2.6624 3.9685 H 0 0 0 0 0 0 0 0 0 10.4304 2.1797 8.8655 H 0 0 0 0 0 0 0 0 0 10.0284 4.6377 8.7952 H 0 0 0 0 0 0 0 0 0 9.7444 5.6720 11.0082 H 0 0 0 0 0 0 0 0 0 14.2227 4.1784 9.5704 H 0 0 0 0 0 0 0 0 0 11.6840 5.9632 12.4935 H 0 0 0 0 0 0 0 0 0 13.9167 5.2189 11.7779 H 0 0 0 0 0 0 0 0 0 11.7052 4.8640 4.7982 H 0 0 0 0 0 0 0 0 0 7.6092 0.0444 9.7940 H 0 0 0 0 0 0 0 0 0 9.3747 0.2038 9.6329 H 0 0 0 0 0 0 0 0 0 8.3719 1.6488 9.9060 H 0 0 0 0 0 0 0 0 0 5.6178 -1.1229 7.2878 H 0 0 0 0 0 0 0 0 0 6.7533 -1.2793 8.6496 H 0 0 0 0 0 0 0 0 0 3.3625 2.1331 9.2318 H 0 0 0 0 0 0 0 0 0 4.6775 2.4463 10.3898 H 0 0 0 0 0 0 0 0 0 5.5208 4.2716 8.9387 H 0 0 0 0 0 0 0 0 0 4.2058 3.9584 7.7807 H 0 0 0 0 0 0 0 0 0 3.8297 4.5616 9.4125 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 5 2 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 20 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 18 1 0 0 0 0 7 11 1 0 0 0 0 8 21 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END > 115538 > K $$$$ 116535 1016 111283D 116535 29 31 0 1 V2000 1.9846 1.6446 1.0687 H 0 0 0 0 0 0 0 0 0 1.0741 1.9781 1.0518 N 0 0 0 0 0 0 0 0 0 1.4029 3.7109 -0.3799 O 0 0 0 0 0 0 0 0 0 -5.5008 3.7583 -0.0463 F 0 0 0 0 0 0 0 0 0 -1.7910 6.6991 0.2322 F 0 0 0 0 0 0 0 0 0 -7.1729 5.8890 -0.0114 F 0 0 0 0 0 0 0 0 0 -3.4718 8.7980 0.2566 F 0 0 0 0 0 0 0 0 0 -6.1626 8.4165 0.1288 F 0 0 0 0 0 0 0 0 0 0.0134 0.3577 2.5928 C 0 0 0 0 0 0 0 0 0 -1.1856 -0.0037 3.1997 C 0 0 0 0 0 0 0 0 0 0.0235 1.4529 1.7407 C 0 0 0 0 0 0 0 0 0 -1.1390 2.1658 1.5010 C 0 0 0 0 0 0 0 0 0 -2.3500 0.7216 2.9619 C 0 0 0 0 0 0 0 0 0 -0.7928 3.2576 0.5418 C 0 0 0 0 0 0 0 0 0 0.6736 3.0522 0.3213 C 0 0 0 0 0 0 0 0 0 -2.3377 1.8221 2.1124 C 0 0 0 0 0 0 0 0 0 -3.1028 6.4690 0.1603 C 0 0 0 0 0 0 0 0 0 -3.9640 7.5600 0.1790 C 0 0 0 0 0 0 0 0 0 -3.6095 5.1730 0.0699 C 0 0 0 0 0 0 0 0 0 -5.3382 7.3674 0.1164 C 0 0 0 0 0 0 0 0 0 -4.9901 4.9908 0.0211 C 0 0 0 0 0 0 0 0 0 -5.8528 6.0799 0.0411 C 0 0 0 0 0 0 0 0 0 -1.5419 4.1351 0.0462 N 0 0 0 0 0 0 0 0 0 -2.8007 4.0694 0.0279 N 0 0 0 0 0 0 0 0 0 0.8930 -0.1865 2.7745 H 0 0 0 0 0 0 0 0 0 -1.2142 -0.8324 3.8452 H 0 0 0 0 0 0 0 0 0 -3.2477 0.4363 3.4284 H 0 0 0 0 0 0 0 0 0 -3.2173 2.3698 1.9465 H 0 0 0 0 0 0 0 0 0 -3.2132 3.1885 -0.0286 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 15 1 0 0 0 0 2 11 1 0 0 0 0 3 15 2 0 0 0 0 4 21 1 0 0 0 0 5 17 1 0 0 0 0 6 22 1 0 0 0 0 7 18 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 23 2 0 0 0 0 14 15 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 24 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 M END > 116535 > K $$$$ 116693 1016 111283D 116693 43 45 0 2 V2000 -2.3331 -1.1067 2.6115 C 0 0 0 0 0 0 0 0 0 -3.1584 -0.8015 3.6825 C 0 0 0 0 0 0 0 0 0 -2.5600 -0.5196 1.3740 C 0 0 0 0 0 0 0 0 0 -3.6102 0.3739 1.2060 C 0 0 0 0 0 0 0 0 0 -4.2075 0.0901 3.5158 C 0 0 0 0 0 0 0 0 0 -4.4317 0.6772 2.2801 C 0 0 0 0 0 0 0 0 0 1.0783 -1.6735 -0.4252 C 0 0 0 0 0 0 0 0 0 0.2381 -0.7401 0.1690 C 0 0 0 0 0 0 0 0 0 2.4528 -1.5390 -0.3016 C 0 0 0 0 0 0 0 0 0 2.9824 -0.4769 0.4151 C 0 0 0 0 0 0 0 0 0 0.7690 0.3241 0.8870 C 0 0 0 0 0 0 0 0 0 2.1443 0.4541 1.0088 C 0 0 0 0 0 0 0 0 0 -1.1907 -2.0707 2.8017 C 0 0 0 0 0 0 0 0 0 -5.5692 1.6455 2.1100 C 0 0 0 0 0 0 0 0 0 -1.5106 -0.9075 0.0115 S 0 5 0 0 0 0 0 0 0 -2.2106 -1.4625 -1.5085 C 0 0 0 0 0 0 0 0 0 -3.4025 -2.1761 -1.5013 C 0 0 0 0 0 0 0 0 0 -3.9511 -2.6117 -2.6984 C 0 0 0 0 0 0 0 0 0 -3.3091 -2.3358 -3.8968 C 0 0 0 0 0 0 0 0 0 -2.1186 -1.6235 -3.9025 C 0 0 0 0 0 0 0 0 0 -1.5683 -1.1827 -2.7083 C 0 0 0 0 0 0 0 0 0 4.4744 -0.3336 0.5488 C 0 0 0 0 0 0 0 0 0 -2.9855 -1.2536 4.6406 H 0 0 0 0 0 0 0 0 0 -3.7861 0.8300 0.2521 H 0 0 0 0 0 0 0 0 0 -4.8449 0.3263 4.3464 H 0 0 0 0 0 0 0 0 0 0.6689 -2.4978 -0.9768 H 0 0 0 0 0 0 0 0 0 3.1049 -2.2570 -0.7588 H 0 0 0 0 0 0 0 0 0 0.1205 1.0450 1.3466 H 0 0 0 0 0 0 0 0 0 2.5583 1.2738 1.5623 H 0 0 0 0 0 0 0 0 0 -0.2998 -1.5238 3.0987 H 0 0 0 0 0 0 0 0 0 -1.4495 -2.7977 3.5664 H 0 0 0 0 0 0 0 0 0 -1.0000 -2.5890 1.8590 H 0 0 0 0 0 0 0 0 0 -6.4655 1.1009 1.8079 H 0 0 0 0 0 0 0 0 0 -5.7558 2.1615 3.0464 H 0 0 0 0 0 0 0 0 0 -5.3143 2.3713 1.3365 H 0 0 0 0 0 0 0 0 0 -3.9002 -2.3906 -0.5751 H 0 0 0 0 0 0 0 0 0 -4.8712 -3.1621 -2.6974 H 0 0 0 0 0 0 0 0 0 -3.7346 -2.6736 -4.8213 H 0 0 0 0 0 0 0 0 0 -1.6243 -1.4128 -4.8302 H 0 0 0 0 0 0 0 0 0 -0.6497 -0.6281 -2.7150 H 0 0 0 0 0 0 0 0 0 4.8564 0.2673 -0.2753 H 0 0 0 0 0 0 0 0 0 4.7090 0.1546 1.4933 H 0 0 0 0 0 0 0 0 0 4.9373 -1.3190 0.5247 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 2 23 1 0 0 0 0 3 15 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 15 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 22 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M CHG 1 15 -1 M END > 116693 > K $$$$ 117915 1016 111283D 117915 34 36 0 2 V2000 1.5578 1.3080 -3.4828 N 0 0 0 0 0 0 0 0 0 0.8048 1.3085 -4.0925 H 0 0 0 0 0 0 0 0 0 0.4804 0.4860 -1.6585 O 0 0 0 0 0 0 0 0 0 3.1900 0.7921 -0.3908 N 0 0 0 0 0 0 0 0 0 3.3138 2.2042 -4.9824 C 0 0 0 0 0 0 0 0 0 4.6608 2.5460 -5.0604 C 0 0 0 0 0 0 0 0 0 2.8241 1.7087 -3.7830 C 0 0 0 0 0 0 0 0 0 3.6611 1.5695 -2.6900 C 0 0 0 0 0 0 0 0 0 5.5042 2.3903 -3.9607 C 0 0 0 0 0 0 0 0 0 2.8344 1.0406 -1.5677 C 0 0 0 0 0 0 0 0 0 1.4834 0.8970 -2.1897 C 0 0 0 0 0 0 0 0 0 5.0059 1.9025 -2.7557 C 0 0 0 0 0 0 0 0 0 4.2881 1.6693 1.9330 C 0 0 0 0 0 0 0 0 0 4.7989 0.5882 1.2216 C 0 0 0 0 0 0 0 0 0 4.6865 1.9175 3.2386 C 0 0 0 0 0 0 0 0 0 5.6093 1.0780 3.8453 C 0 0 0 0 0 0 0 0 0 5.7396 -0.2483 1.8256 C 0 0 0 0 0 0 0 0 0 6.1311 0.0024 3.1380 C 0 0 0 0 0 0 0 0 0 6.9593 2.7497 -4.0663 C 0 0 0 0 0 0 0 0 0 4.3421 0.4031 -0.0491 N 0 0 0 0 0 0 0 0 0 6.2983 -1.3155 1.1821 N 0 3 0 0 0 0 0 0 0 7.1267 -2.0433 1.7723 O 0 0 0 0 0 0 0 0 0 5.9792 -1.6700 -0.1965 O 0 5 0 0 0 0 0 0 0 2.6791 2.3183 -5.8115 H 0 0 0 0 0 0 0 0 0 5.0417 2.9257 -5.9635 H 0 0 0 0 0 0 0 0 0 5.6281 1.7875 -1.9172 H 0 0 0 0 0 0 0 0 0 3.5914 2.3090 1.4747 H 0 0 0 0 0 0 0 0 0 4.2883 2.7378 3.7619 H 0 0 0 0 0 0 0 0 0 5.9102 1.2579 4.8367 H 0 0 0 0 0 0 0 0 0 6.8305 -0.6276 3.6059 H 0 0 0 0 0 0 0 0 0 7.0867 3.7916 -3.8102 H 0 0 0 0 0 0 0 0 0 7.5423 2.1468 -3.3849 H 0 0 0 0 0 0 0 0 0 7.3194 2.5827 -5.0712 H 0 0 0 0 0 0 0 0 0 4.9085 -0.0513 -0.7010 H 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 3 11 2 0 0 0 0 4 10 2 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 19 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 20 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 M CHG 2 21 1 23 -1 M END > 117915 > K $$$$ 118732 1016 111283D 118732 37 39 0 2 V2000 7.0607 0.8965 0.4330 N 0 0 0 0 0 0 0 0 0 7.9901 1.1593 0.3593 H 0 0 0 0 0 0 0 0 0 6.2451 2.1860 -1.2486 O 0 0 0 0 0 0 0 0 0 3.6544 0.8878 -0.4770 N 0 0 0 0 0 0 0 0 0 7.2331 -0.6925 2.3201 C 0 0 0 0 0 0 0 0 0 6.5064 -1.5667 3.1229 C 0 0 0 0 0 0 0 0 0 6.5529 0.0084 1.3331 C 0 0 0 0 0 0 0 0 0 5.1861 -0.1499 1.1693 C 0 0 0 0 0 0 0 0 0 5.1325 -1.7171 2.9567 C 0 0 0 0 0 0 0 0 0 4.7878 0.7290 0.0342 C 0 0 0 0 0 0 0 0 0 6.0766 1.3774 -0.3673 C 0 0 0 0 0 0 0 0 0 4.4453 -0.9987 1.9826 C 0 0 0 0 0 0 0 0 0 2.1129 0.7493 -2.7276 C 0 0 0 0 0 0 0 0 0 2.2641 1.9059 -1.9707 C 0 0 0 0 0 0 0 0 0 1.0819 0.6319 -3.6482 C 0 0 0 0 0 0 0 0 0 0.1917 1.6824 -3.8201 C 0 0 0 0 0 0 0 0 0 1.3743 2.9664 -2.1462 C 0 0 0 0 0 0 0 0 0 0.3413 2.8428 -3.0710 C 0 0 0 0 0 0 0 0 0 8.7116 -0.5164 2.5193 C 0 0 0 0 0 0 0 0 0 2.9580 -1.1522 1.8347 C 0 0 0 0 0 0 0 0 0 3.2935 1.9365 -1.0813 N 0 0 0 0 0 0 0 0 0 1.4753 4.1285 -1.4382 N 0 3 0 0 0 0 0 0 0 0.6512 5.0517 -1.6194 O 0 0 0 0 0 0 0 0 0 2.5237 4.3594 -0.4512 O 0 5 0 0 0 0 0 0 0 6.9984 -2.1223 3.8666 H 0 0 0 0 0 0 0 0 0 4.6106 -2.3829 3.5800 H 0 0 0 0 0 0 0 0 0 2.7906 -0.0439 -2.6007 H 0 0 0 0 0 0 0 0 0 0.9808 -0.2501 -4.2108 H 0 0 0 0 0 0 0 0 0 -0.5926 1.5970 -4.5150 H 0 0 0 0 0 0 0 0 0 -0.3367 3.6343 -3.2079 H 0 0 0 0 0 0 0 0 0 9.2417 -1.1752 1.8470 H 0 0 0 0 0 0 0 0 0 8.9982 0.5049 2.3162 H 0 0 0 0 0 0 0 0 0 8.9850 -0.7538 3.5370 H 0 0 0 0 0 0 0 0 0 2.7509 -1.9050 1.0884 H 0 0 0 0 0 0 0 0 0 2.5202 -1.4576 2.7745 H 0 0 0 0 0 0 0 0 0 2.5084 -0.2169 1.5358 H 0 0 0 0 0 0 0 0 0 3.7450 2.7856 -0.9040 H 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 3 11 2 0 0 0 0 4 10 2 0 0 0 0 4 21 1 0 0 0 0 5 19 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 12 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 21 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 22 1 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 2 22 1 24 -1 M END > 118732 > K $$$$ 118735 1016 111283D 118735 34 36 0 2 V2000 0.7220 2.2560 -0.0964 Cl 0 0 0 0 0 0 0 0 0 1.3146 -2.6719 -0.4346 N 0 0 0 0 0 0 0 0 0 1.1908 -3.6333 -0.4624 H 0 0 0 0 0 0 0 0 0 3.5450 -2.6307 -0.8741 O 0 0 0 0 0 0 0 0 0 3.1306 0.3725 -0.5687 N 0 0 0 0 0 0 0 0 0 -1.0179 -1.9572 0.0461 C 0 0 0 0 0 0 0 0 0 -1.8288 -0.8397 0.2317 C 0 0 0 0 0 0 0 0 0 0.3346 -1.7528 -0.2012 C 0 0 0 0 0 0 0 0 0 0.8523 -0.4692 -0.2340 C 0 0 0 0 0 0 0 0 0 -1.2999 0.4475 0.1842 C 0 0 0 0 0 0 0 0 0 2.3111 -0.5755 -0.4909 C 0 0 0 0 0 0 0 0 0 2.5120 -2.0548 -0.6284 C 0 0 0 0 0 0 0 0 0 0.0557 0.6494 -0.0465 C 0 0 0 0 0 0 0 0 0 4.4565 -0.3491 -2.8168 C 0 0 0 0 0 0 0 0 0 5.1380 -0.0887 -1.6308 C 0 0 0 0 0 0 0 0 0 5.1314 -0.6965 -3.9770 C 0 0 0 0 0 0 0 0 0 6.5143 -0.7826 -3.9636 C 0 0 0 0 0 0 0 0 0 6.5331 -0.1864 -1.6161 C 0 0 0 0 0 0 0 0 0 7.2042 -0.5282 -2.7867 C 0 0 0 0 0 0 0 0 0 -1.5965 -3.3425 0.1134 C 0 0 0 0 0 0 0 0 0 4.3873 0.2528 -0.5397 N 0 0 0 0 0 0 0 0 0 7.3061 0.0348 -0.5109 N 0 3 0 0 0 0 0 0 0 8.5488 -0.1026 -0.5810 O 0 0 0 0 0 0 0 0 0 6.7659 0.4321 0.7834 O 0 5 0 0 0 0 0 0 0 -2.8567 -0.9641 0.4111 H 0 0 0 0 0 0 0 0 0 -1.9294 1.2766 0.3238 H 0 0 0 0 0 0 0 0 0 3.4096 -0.2842 -2.8450 H 0 0 0 0 0 0 0 0 0 4.5938 -0.8919 -4.8582 H 0 0 0 0 0 0 0 0 0 7.0348 -1.0389 -4.8396 H 0 0 0 0 0 0 0 0 0 8.2522 -0.5968 -2.7877 H 0 0 0 0 0 0 0 0 0 -1.4154 -3.8617 -0.8161 H 0 0 0 0 0 0 0 0 0 -1.1319 -3.8859 0.9234 H 0 0 0 0 0 0 0 0 0 -2.6621 -3.3032 0.2897 H 0 0 0 0 0 0 0 0 0 4.8283 0.4211 0.3121 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 4 12 2 0 0 0 0 5 11 2 0 0 0 0 5 21 1 0 0 0 0 6 20 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 13 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 21 1 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 2 22 1 24 -1 M END > 118735 > K $$$$ 118742 1016 111283D 118742 30 30 0 1 V2000 -0.0142 1.3273 0.0092 N 0 0 0 0 0 0 0 0 0 1.1864 -0.6679 -0.0122 N 0 0 0 0 0 0 0 0 0 2.3115 1.3744 -0.0123 N 0 0 0 0 0 0 0 0 0 2.3363 0.0295 -0.0194 C 0 0 0 0 0 0 0 0 0 0.0035 -0.0217 0.0021 C 0 0 0 0 0 0 0 0 0 1.1361 2.0314 0.0020 C 0 0 0 0 0 0 0 0 0 -1.1697 -0.7204 0.0095 N 0 0 0 0 0 0 0 0 0 -1.1886 -2.1619 0.0020 C 0 0 0 0 0 0 0 0 0 -2.4227 -0.0106 0.0252 C 0 0 0 0 0 0 0 0 0 1.1095 3.3962 0.0091 N 0 0 0 0 0 0 0 0 0 2.3250 4.1716 0.0017 C 0 0 0 0 0 0 0 0 0 -0.1543 4.0860 0.0245 C 0 0 0 0 0 0 0 0 0 3.5178 -0.6359 -0.0337 N 0 0 0 0 0 0 0 0 0 4.7729 0.0628 -0.0418 C 0 0 0 0 0 0 0 0 0 -0.1962 -2.5888 -0.0098 H 0 0 0 0 0 0 0 0 0 -1.6998 -2.5195 0.8842 H 0 0 0 0 0 0 0 0 0 -1.7167 -2.5101 -0.8740 H 0 0 0 0 0 0 0 0 0 -2.4967 0.6179 -0.8509 H 0 0 0 0 0 0 0 0 0 -3.2600 -0.6941 0.0295 H 0 0 0 0 0 0 0 0 0 -2.4800 0.6086 0.9091 H 0 0 0 0 0 0 0 0 0 3.2109 3.5532 -0.0097 H 0 0 0 0 0 0 0 0 0 2.3434 4.8032 -0.8748 H 0 0 0 0 0 0 0 0 0 2.3598 4.7944 0.8839 H 0 0 0 0 0 0 0 0 0 -0.7107 3.8084 0.9085 H 0 0 0 0 0 0 0 0 0 -0.0145 5.1578 0.0286 H 0 0 0 0 0 0 0 0 0 -0.7272 3.8173 -0.8517 H 0 0 0 0 0 0 0 0 0 3.5045 -1.6060 -0.0386 H 0 0 0 0 0 0 0 0 0 4.8392 0.6899 -0.9198 H 0 0 0 0 0 0 0 0 0 4.8552 0.6815 0.8409 H 0 0 0 0 0 0 0 0 0 5.5909 -0.6432 -0.0526 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 4 2 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 M END > 118742 > K $$$$ 118976 1016 111283D 118976 17 17 0 1 V2000 3.5619 3.4500 -0.6490 C 0 0 0 0 0 0 0 0 0 2.3505 4.1219 -0.7266 C 0 0 0 0 0 0 0 0 0 4.6687 3.9386 -1.3298 C 0 0 0 0 0 0 0 0 0 2.2426 5.2821 -1.4801 C 0 0 0 0 0 0 0 0 0 4.5630 5.0993 -2.0849 C 0 0 0 0 0 0 0 0 0 3.3500 5.7711 -2.1596 C 0 0 0 0 0 0 0 0 0 1.1510 3.5932 0.0138 C 0 0 0 0 0 0 0 0 0 1.1834 4.0756 1.4067 N 0 0 0 0 0 0 0 0 0 1.1364 5.3392 1.6330 C 0 0 0 0 0 0 0 0 0 1.1028 6.7857 1.8971 S 0 0 0 0 0 0 0 0 0 3.6438 2.5584 -0.0651 H 0 0 0 0 0 0 0 0 0 5.6025 3.4217 -1.2718 H 0 0 0 0 0 0 0 0 0 1.3083 5.7985 -1.5380 H 0 0 0 0 0 0 0 0 0 5.4156 5.4759 -2.6085 H 0 0 0 0 0 0 0 0 0 3.2688 6.6647 -2.7407 H 0 0 0 0 0 0 0 0 0 0.2424 3.9276 -0.4870 H 0 0 0 0 0 0 0 0 0 1.1799 2.5045 0.0156 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 9 10 2 0 0 0 0 M END > 118976 > K $$$$ 119686 1016 111283D 119686 32 35 0 1 V2000 0.2876 1.0556 1.6860 N 0 0 0 0 0 0 0 0 0 4.8519 -2.7362 -1.3128 S 0 0 0 0 0 0 0 0 0 3.6178 -0.6226 -0.1031 C 0 0 0 0 0 0 0 0 0 3.5345 -1.9143 -0.6027 C 0 0 0 0 0 0 0 0 0 2.4866 -0.0741 0.4972 C 0 0 0 0 0 0 0 0 0 2.5555 1.1949 1.0667 C 0 0 0 0 0 0 0 0 0 1.4371 1.7566 1.6590 C 0 0 0 0 0 0 0 0 0 2.3595 -2.6552 -0.5663 C 0 0 0 0 0 0 0 0 0 1.2859 -0.7927 0.5281 C 0 0 0 0 0 0 0 0 0 1.2005 -2.0665 -0.0502 C 0 0 0 0 0 0 0 0 0 2.5700 -3.9337 -1.0883 C 0 0 0 0 0 0 0 0 0 4.3183 -5.2809 -2.1206 C 0 0 0 0 0 0 0 0 0 3.8719 -4.1030 -1.5406 C 0 0 0 0 0 0 0 0 0 3.4302 -6.3392 -2.2491 C 0 0 0 0 0 0 0 0 0 2.1252 -6.2023 -1.7930 C 0 0 0 0 0 0 0 0 0 1.6980 -5.0147 -1.2092 C 0 0 0 0 0 0 0 0 0 0.1976 -0.1845 1.1548 C 0 0 0 0 0 0 0 0 0 4.9162 0.1393 -0.2212 C 0 0 0 0 0 0 0 0 0 -0.1176 -2.8032 -0.1258 C 0 0 0 0 0 0 0 0 0 3.4468 1.7473 1.0604 H 0 0 0 0 0 0 0 0 0 1.4853 2.7169 2.0822 H 0 0 0 0 0 0 0 0 0 5.3105 -5.3670 -2.4551 H 0 0 0 0 0 0 0 0 0 3.7447 -7.2400 -2.6890 H 0 0 0 0 0 0 0 0 0 1.4544 -7.0053 -1.8900 H 0 0 0 0 0 0 0 0 0 0.7106 -4.9761 -0.8711 H 0 0 0 0 0 0 0 0 0 -0.7284 -0.6654 1.2390 H 0 0 0 0 0 0 0 0 0 5.3985 0.1750 0.7447 H 0 0 0 0 0 0 0 0 0 5.5886 -0.3234 -0.9271 H 0 0 0 0 0 0 0 0 0 4.7306 1.1444 -0.5708 H 0 0 0 0 0 0 0 0 0 -0.1298 -3.6033 0.6005 H 0 0 0 0 0 0 0 0 0 -0.9840 -2.1835 0.0291 H 0 0 0 0 0 0 0 0 0 -0.2443 -3.1930 -1.1240 H 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 119686 > K $$$$ 123115 1016 111283D 123115 51 54 1 1 V2000 -2.2202 -5.7046 -3.1269 O 0 0 0 0 0 0 0 0 0 -5.7170 -2.2543 -5.0748 O 0 0 0 0 0 0 0 0 0 -2.8169 -1.8288 -5.6026 N 0 0 0 0 0 0 0 0 0 -1.4295 0.9335 -5.9754 H 0 0 0 0 0 0 0 0 0 0.1798 -0.7262 -6.1717 H 0 0 0 0 0 0 0 0 0 -3.0333 -4.9349 -3.5800 C 0 0 0 0 0 0 0 0 0 -2.5795 -3.7553 -4.3778 C 0 0 0 0 0 0 0 0 0 -4.5118 -5.1352 -3.3595 C 0 0 0 0 0 0 0 0 0 -3.4529 -2.8815 -4.8718 C 0 0 0 0 0 0 0 0 0 -1.1671 -3.4134 -4.7120 C 0 0 1 0 0 0 0 0 0 -1.4059 -2.2156 -5.6555 C 0 0 2 0 0 0 0 0 0 -5.3997 -4.2593 -3.8616 C 0 0 0 0 0 0 0 0 0 -4.9266 -3.0587 -4.6419 C 0 0 0 0 0 0 0 0 0 -0.5497 -0.9665 -5.4121 C 0 0 1 0 0 0 0 0 0 -1.5733 0.1433 -5.2522 C 0 0 1 0 0 0 0 0 0 -2.9470 -0.4868 -5.0584 C 0 0 0 0 0 0 0 0 0 -4.8152 -6.0924 -1.1692 C 0 0 0 0 0 0 0 0 0 -5.3771 -7.2952 -0.4126 C 0 0 0 0 0 0 0 0 0 -6.8681 -7.4909 -0.6805 C 0 0 0 0 0 0 0 0 0 -6.8726 -4.4694 -3.6490 C 0 0 0 0 0 0 0 0 0 -4.9671 -6.2714 -2.6073 N 0 0 0 0 0 0 0 0 0 -0.3446 -3.2015 -3.4421 C 0 0 0 0 0 0 0 0 0 0.9318 -2.7289 -3.8177 O 0 0 0 0 0 0 0 0 0 -1.0922 -2.6068 -6.9810 O 0 0 0 0 0 0 0 0 0 -2.0139 -3.4521 -7.6459 C 0 0 0 0 0 0 0 0 0 -0.5659 -0.1003 -4.2349 N 0 0 0 0 0 0 0 0 0 1.7479 -2.5344 -2.7519 C 0 0 0 0 0 0 0 0 0 1.3795 -2.7252 -1.6182 O 0 0 0 0 0 0 0 0 0 3.0074 -2.1155 -2.9752 N 0 0 0 0 0 0 0 0 0 -0.7085 -4.2134 -5.2738 H 0 0 0 0 0 0 0 0 0 -3.7043 0.0650 -5.5965 H 0 0 0 0 0 0 0 0 0 -3.1895 -0.4978 -4.0046 H 0 0 0 0 0 0 0 0 0 -5.3382 -5.2015 -0.8492 H 0 0 0 0 0 0 0 0 0 -3.7672 -5.9865 -0.9226 H 0 0 0 0 0 0 0 0 0 -4.8423 -8.1852 -0.7122 H 0 0 0 0 0 0 0 0 0 -5.2287 -7.1423 0.6468 H 0 0 0 0 0 0 0 0 0 -7.0349 -7.6666 -1.7335 H 0 0 0 0 0 0 0 0 0 -7.2247 -8.3433 -0.1207 H 0 0 0 0 0 0 0 0 0 -7.4166 -6.6120 -0.3740 H 0 0 0 0 0 0 0 0 0 -7.4443 -3.7865 -4.2607 H 0 0 0 0 0 0 0 0 0 -7.1390 -5.4823 -3.9138 H 0 0 0 0 0 0 0 0 0 -7.1130 -4.2984 -2.6098 H 0 0 0 0 0 0 0 0 0 -4.5049 -7.1036 -2.9200 H 0 0 0 0 0 0 0 0 0 -0.8401 -2.5096 -2.7763 H 0 0 0 0 0 0 0 0 0 -0.2486 -4.1509 -2.9309 H 0 0 0 0 0 0 0 0 0 -2.1376 -4.3885 -7.1216 H 0 0 0 0 0 0 0 0 0 -2.9743 -2.9675 -7.7518 H 0 0 0 0 0 0 0 0 0 -1.6310 -3.6631 -8.6333 H 0 0 0 0 0 0 0 0 0 -0.9598 -0.5350 -3.4278 H 0 0 0 0 0 0 0 0 0 3.3025 -1.9604 -3.8837 H 0 0 0 0 0 0 0 0 0 3.6044 -1.9738 -2.2270 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 9 2 0 0 0 0 8 21 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 1 0 0 0 10 22 1 6 0 0 0 10 30 1 0 0 0 0 11 24 1 1 0 0 0 11 14 1 6 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 14 26 1 6 0 0 0 14 15 1 1 0 0 0 15 26 1 6 0 0 0 15 16 1 1 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > 123115 > K $$$$ 125176 1016 111283D 125176 117122 1 1 V2000 -13.3418 2.3458 -14.1738 O 0 0 0 0 0 0 0 0 0 -10.7827 0.1741 -15.3985 N 0 0 0 0 0 0 0 0 0 -11.4346 -0.9291 -17.2168 O 0 0 0 0 0 0 0 0 0 -8.8994 -0.1749 -13.6140 O 0 0 0 0 0 0 0 0 0 -8.1451 1.8977 -13.4514 N 0 0 0 0 0 0 0 0 0 -8.1537 1.9843 -12.4721 H 0 0 0 0 0 0 0 0 0 -9.2916 0.1883 -18.6709 N 0 0 0 0 0 0 0 0 0 -9.1114 -1.8108 -19.6870 O 0 0 0 0 0 0 0 0 0 -6.5031 0.7694 -15.2237 O 0 0 0 0 0 0 0 0 0 -5.5494 2.6312 -15.9718 O 0 0 0 0 0 0 0 0 0 -7.1167 -0.8736 -21.3265 N 0 0 0 0 0 0 0 0 0 -4.9853 -1.4507 -21.4956 O 0 0 0 0 0 0 0 0 0 -4.1881 6.6342 -18.4914 N 0 0 0 0 0 0 0 0 0 -4.1653 0.5053 -19.7989 N 0 0 0 0 0 0 0 0 0 -2.6323 1.9959 -19.2425 O 0 0 0 0 0 0 0 0 0 -3.5504 0.1427 -20.4711 H 0 0 0 0 0 0 0 0 0 -10.9670 -4.3996 -15.2653 C 0 0 0 0 0 0 0 0 0 -11.0805 -4.1061 -16.6210 C 0 0 0 0 0 0 0 0 0 -10.0196 -3.7330 -14.4947 C 0 0 0 0 0 0 0 0 0 -9.1940 -2.7868 -15.0711 C 0 0 0 0 0 0 0 0 0 -10.2532 -3.1584 -17.1960 C 0 0 0 0 0 0 0 0 0 -9.3118 -2.5006 -16.4203 C 0 0 0 0 0 0 0 0 0 -5.8436 -0.8608 -20.8666 C 0 0 0 0 0 0 0 0 0 -5.4471 -0.1584 -19.5909 C 0 0 1 0 0 0 0 0 0 -9.1107 -1.4849 -22.5361 C 0 0 0 0 0 0 0 0 0 -9.1725 0.0085 -22.1132 C 0 0 0 0 0 0 0 0 0 -7.5919 -1.7533 -22.4001 C 0 0 0 0 0 0 0 0 0 -8.2232 -0.0201 -20.8877 C 0 0 1 0 0 0 0 0 0 -8.9201 -0.6178 -19.6880 C 0 0 0 0 0 0 0 0 0 -9.2002 -0.1739 -17.2680 C 0 0 1 0 0 0 0 0 0 -10.5611 -0.3273 -16.6401 C 0 0 0 0 0 0 0 0 0 -11.7626 -0.4882 -14.5448 C 0 0 0 0 0 0 0 0 0 -12.1513 0.4236 -13.3720 C 0 0 0 0 0 0 0 0 0 -12.2802 1.8034 -14.0001 C 0 0 0 0 0 0 0 0 0 -10.9579 2.4291 -14.3898 C 0 0 0 0 0 0 0 0 0 -10.0417 1.3548 -14.9721 C 0 0 1 0 0 0 0 0 0 -8.9782 0.9820 -13.9740 C 0 0 0 0 0 0 0 0 0 -3.7837 1.6136 -19.1249 C 0 0 0 0 0 0 0 0 0 -4.7219 2.3877 -18.2380 C 0 0 1 0 0 0 0 0 0 -4.5854 1.9284 -16.7820 C 0 0 1 0 0 0 0 0 0 -6.4109 1.9713 -15.1729 C 0 0 0 0 0 0 0 0 0 -7.2479 2.7606 -14.1955 C 0 0 1 0 0 0 0 0 0 -4.3987 5.9214 -19.5985 C 0 0 0 0 0 0 0 0 0 -4.3335 6.5256 -20.8569 C 0 0 0 0 0 0 0 0 0 -4.0469 7.8862 -20.9371 C 0 0 0 0 0 0 0 0 0 -3.8355 8.5895 -19.7624 C 0 0 0 0 0 0 0 0 0 -3.9145 7.9275 -18.5442 C 0 0 0 0 0 0 0 0 0 -8.4148 -1.4653 -17.0471 C 0 0 0 0 0 0 0 0 0 -11.8008 -5.3501 -14.6840 N 0 0 0 0 0 0 0 0 0 -11.6075 -5.7430 -13.2893 C 0 0 0 0 0 0 0 0 0 -12.8739 -5.9609 -15.4676 C 0 0 0 0 0 0 0 0 0 -7.9913 3.8468 -14.9254 C 0 0 0 0 0 0 0 0 0 -8.4832 4.9370 -14.2265 C 0 0 0 0 0 0 0 0 0 -9.1680 5.9365 -14.8980 C 0 0 0 0 0 0 0 0 0 -9.3595 5.8459 -16.2671 C 0 0 0 0 0 0 0 0 0 -8.8665 4.7558 -16.9654 C 0 0 0 0 0 0 0 0 0 -8.1785 3.7588 -16.2955 C 0 0 0 0 0 0 0 0 0 -9.8379 1.5134 -18.9956 C 0 0 0 0 0 0 0 0 0 -4.5441 5.7960 -21.9830 O 0 0 0 0 0 0 0 0 0 -3.1753 2.2399 -16.2687 C 0 0 0 0 0 0 0 0 0 -4.4239 3.8116 -18.3458 N 0 0 0 0 0 0 0 0 0 -4.7012 4.4767 -19.4873 C 0 0 0 0 0 0 0 0 0 -5.2003 3.8890 -20.4243 O 0 0 0 0 0 0 0 0 0 -5.2891 -1.2147 -18.4914 C 0 0 0 0 0 0 0 0 0 -3.8652 -1.7752 -18.5244 C 0 0 0 0 0 0 0 0 0 -11.8090 -4.6158 -17.2230 H 0 0 0 0 0 0 0 0 0 -9.9196 -3.9470 -13.4500 H 0 0 0 0 0 0 0 0 0 -8.4652 -2.2729 -14.4741 H 0 0 0 0 0 0 0 0 0 -10.3424 -2.9299 -18.2411 H 0 0 0 0 0 0 0 0 0 -6.2152 0.5509 -19.3125 H 0 0 0 0 0 0 0 0 0 -9.6871 -2.1129 -21.8594 H 0 0 0 0 0 0 0 0 0 -9.4393 -1.6168 -23.5656 H 0 0 0 0 0 0 0 0 0 -8.7747 0.6504 -22.8969 H 0 0 0 0 0 0 0 0 0 -10.1804 0.3012 -21.8309 H 0 0 0 0 0 0 0 0 0 -7.0867 -1.5021 -23.3299 H 0 0 0 0 0 0 0 0 0 -7.4083 -2.7937 -22.1405 H 0 0 0 0 0 0 0 0 0 -7.8596 0.9788 -20.6644 H 0 0 0 0 0 0 0 0 0 -8.6660 0.6276 -16.7514 H 0 0 0 0 0 0 0 0 0 -12.6537 -0.7291 -15.1258 H 0 0 0 0 0 0 0 0 0 -11.3340 -1.4133 -14.1584 H 0 0 0 0 0 0 0 0 0 -13.0988 0.1092 -12.9426 H 0 0 0 0 0 0 0 0 0 -11.3673 0.4234 -12.6187 H 0 0 0 0 0 0 0 0 0 -11.1248 3.2022 -15.1368 H 0 0 0 0 0 0 0 0 0 -10.4927 2.8701 -13.5083 H 0 0 0 0 0 0 0 0 0 -9.5551 1.7986 -15.8487 H 0 0 0 0 0 0 0 0 0 -5.7465 2.2137 -18.5577 H 0 0 0 0 0 0 0 0 0 -4.7565 0.8574 -16.7204 H 0 0 0 0 0 0 0 0 0 -6.5631 3.2428 -13.4872 H 0 0 0 0 0 0 0 0 0 -3.9888 8.3801 -21.8900 H 0 0 0 0 0 0 0 0 0 -3.6121 9.6386 -19.7900 H 0 0 0 0 0 0 0 0 0 -3.7529 8.4656 -17.6324 H 0 0 0 0 0 0 0 0 0 -7.5709 -1.2693 -16.3896 H 0 0 0 0 0 0 0 0 0 -8.0496 -1.8347 -18.0011 H 0 0 0 0 0 0 0 0 0 -10.8340 -5.1342 -12.8338 H 0 0 0 0 0 0 0 0 0 -12.5339 -5.6042 -12.7362 H 0 0 0 0 0 0 0 0 0 -11.3066 -6.7874 -13.2395 H 0 0 0 0 0 0 0 0 0 -13.4721 -6.6090 -14.8298 H 0 0 0 0 0 0 0 0 0 -13.5098 -5.1807 -15.8862 H 0 0 0 0 0 0 0 0 0 -12.4454 -6.5488 -16.2789 H 0 0 0 0 0 0 0 0 0 -8.3346 5.0066 -13.1657 H 0 0 0 0 0 0 0 0 0 -9.5500 6.7815 -14.3572 H 0 0 0 0 0 0 0 0 0 -9.8907 6.6204 -16.7870 H 0 0 0 0 0 0 0 0 0 -9.0151 4.6850 -18.0258 H 0 0 0 0 0 0 0 0 0 -7.7932 2.9154 -16.8370 H 0 0 0 0 0 0 0 0 0 -9.8619 1.6476 -20.0763 H 0 0 0 0 0 0 0 0 0 -10.8498 1.5976 -18.6016 H 0 0 0 0 0 0 0 0 0 -9.2123 2.2856 -18.5514 H 0 0 0 0 0 0 0 0 0 -5.4390 5.7148 -22.3347 H 0 0 0 0 0 0 0 0 0 -3.0587 1.8374 -15.2650 H 0 0 0 0 0 0 0 0 0 -2.4376 1.7871 -16.9291 H 0 0 0 0 0 0 0 0 0 -3.0264 3.3178 -16.2457 H 0 0 0 0 0 0 0 0 0 -4.0241 4.2855 -17.5990 H 0 0 0 0 0 0 0 0 0 -5.4776 -0.7616 -17.5208 H 0 0 0 0 0 0 0 0 0 -5.9999 -2.0223 -18.6567 H 0 0 0 0 0 0 0 0 0 -3.1567 -0.9772 -18.3072 H 0 0 0 0 0 0 0 0 0 -3.7663 -2.5607 -17.7791 H 0 0 0 0 0 0 0 0 0 -3.6593 -2.1828 -19.5127 H 0 0 0 0 0 0 0 0 0 1 34 2 0 0 0 0 2 31 1 0 0 0 0 2 36 1 0 0 0 0 2 32 1 0 0 0 0 3 31 2 0 0 0 0 4 37 2 0 0 0 0 5 37 1 0 0 0 0 5 42 1 0 0 0 0 5 6 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 58 1 0 0 0 0 8 29 2 0 0 0 0 9 41 2 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 23 1 0 0 0 0 11 28 1 0 0 0 0 11 27 1 0 0 0 0 12 23 2 0 0 0 0 13 43 1 0 0 0 0 13 47 2 0 0 0 0 14 38 1 0 0 0 0 14 24 1 0 0 0 0 14 16 1 0 0 0 0 15 38 2 0 0 0 0 17 49 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 18 21 1 0 0 0 0 18 66 1 0 0 0 0 19 20 2 0 0 0 0 19 67 1 0 0 0 0 20 22 1 0 0 0 0 20 68 1 0 0 0 0 21 22 2 0 0 0 0 21 69 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 64 1 6 0 0 0 24 70 1 1 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 26 28 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 28 29 1 0 0 0 0 28 77 1 1 0 0 0 30 31 1 1 0 0 0 30 48 1 6 0 0 0 30 78 1 0 0 0 0 32 33 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 34 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 37 1 6 0 0 0 36 85 1 0 0 0 0 38 39 1 0 0 0 0 39 61 1 0 0 0 0 39 40 1 6 0 0 0 39 86 1 1 0 0 0 40 60 1 6 0 0 0 40 87 1 0 0 0 0 41 42 1 0 0 0 0 42 52 1 1 0 0 0 42 88 1 6 0 0 0 43 62 1 0 0 0 0 43 44 2 0 0 0 0 44 59 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 89 1 0 0 0 0 46 47 1 0 0 0 0 46 90 1 0 0 0 0 47 91 1 0 0 0 0 48 92 1 0 0 0 0 48 93 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 50 94 1 0 0 0 0 50 95 1 0 0 0 0 50 96 1 0 0 0 0 51 97 1 0 0 0 0 51 98 1 0 0 0 0 51 99 1 0 0 0 0 52 53 2 0 0 0 0 52 57 1 0 0 0 0 53 54 1 0 0 0 0 53100 1 0 0 0 0 54 55 2 0 0 0 0 54101 1 0 0 0 0 55 56 1 0 0 0 0 55102 1 0 0 0 0 56 57 2 0 0 0 0 56103 1 0 0 0 0 57104 1 0 0 0 0 58105 1 0 0 0 0 58106 1 0 0 0 0 58107 1 0 0 0 0 59108 1 0 0 0 0 60109 1 0 0 0 0 60110 1 0 0 0 0 60111 1 0 0 0 0 61 62 1 0 0 0 0 61112 1 0 0 0 0 62 63 2 0 0 0 0 64 65 1 0 0 0 0 64113 1 0 0 0 0 64114 1 0 0 0 0 65115 1 0 0 0 0 65116 1 0 0 0 0 65117 1 0 0 0 0 M END > 125176 > K $$$$ 126771 1016 111283D 126771 26 27 0 1 V2000 0.2000 2.6879 0.4919 O 0 0 0 0 0 0 0 0 0 4.3904 5.7055 -0.3635 O 0 0 0 0 0 0 0 0 0 1.1109 3.3729 0.0707 C 0 0 0 0 0 0 0 0 0 2.4219 2.7581 -0.2386 C 0 0 0 0 0 0 0 0 0 0.9187 4.8308 -0.1466 C 0 0 0 0 0 0 0 0 0 -0.3493 5.3887 -0.1267 C 0 0 0 0 0 0 0 0 0 -0.4997 6.7558 -0.3332 C 0 0 0 0 0 0 0 0 0 3.5036 3.5352 -0.4582 C 0 0 0 0 0 0 0 0 0 2.0421 5.6424 -0.3749 C 0 0 0 0 0 0 0 0 0 0.6108 7.5588 -0.5582 C 0 0 0 0 0 0 0 0 0 3.3907 5.0179 -0.3933 C 0 0 0 0 0 0 0 0 0 1.8858 7.0053 -0.5799 C 0 0 0 0 0 0 0 0 0 2.5391 1.2647 -0.3058 C 0 0 0 0 0 0 0 0 0 4.6966 2.9495 -0.7378 O 0 0 0 0 0 0 0 0 0 3.1463 0.7576 0.9770 C 0 0 0 0 0 0 0 0 0 3.3612 -0.5389 1.1314 C 0 0 0 0 0 0 0 0 0 4.0614 -1.1283 2.6068 Cl 0 0 0 0 0 0 0 0 0 2.9438 -1.6494 -0.1389 Cl 0 0 0 0 0 0 0 0 0 -1.2067 4.7749 0.0458 H 0 0 0 0 0 0 0 0 0 -1.4733 7.1909 -0.3194 H 0 0 0 0 0 0 0 0 0 0.4834 8.6063 -0.7154 H 0 0 0 0 0 0 0 0 0 2.7375 7.6269 -0.7533 H 0 0 0 0 0 0 0 0 0 1.5539 0.8229 -0.4411 H 0 0 0 0 0 0 0 0 0 3.1749 0.9898 -1.1437 H 0 0 0 0 0 0 0 0 0 5.4612 3.5163 -0.8937 H 0 0 0 0 0 0 0 0 0 3.4039 1.4360 1.7587 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 13 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 8 14 1 0 0 0 0 8 11 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > 126771 > K $$$$ 126849 1016 111283D 126849 30 31 1 1 V2000 1.5079 0.5660 -0.7093 O 0 0 0 0 0 0 0 0 0 5.5452 -3.1457 -3.2352 O 0 0 0 0 0 0 0 0 0 3.2430 -0.9602 -0.7728 N 0 0 0 0 0 0 0 0 0 3.9134 0.9197 -1.7577 O 0 0 0 0 0 0 0 0 0 4.8676 -2.4528 -2.5150 C 0 0 0 0 0 0 0 0 0 4.0730 -3.0824 -1.4167 C 0 0 0 0 0 0 0 0 0 4.8305 -0.9741 -2.7301 C 0 0 0 0 0 0 0 0 0 3.9637 -0.2862 -1.7187 C 0 0 0 0 0 0 0 0 0 3.3163 -2.3175 -0.6204 C 0 0 0 0 0 0 0 0 0 2.3732 -0.2090 0.0954 C 0 0 1 0 0 0 0 0 0 3.0932 0.7514 1.0406 C 0 0 1 0 0 0 0 0 0 1.9176 1.6688 1.3581 C 0 0 1 0 0 0 0 0 0 1.2526 1.7730 -0.0164 C 0 0 1 0 0 0 0 0 0 1.5883 4.1416 -0.1176 O 0 0 0 0 0 0 0 0 0 1.0476 1.0424 2.2811 O 0 0 0 0 0 0 0 0 0 1.7880 2.9436 -0.8382 C 0 0 0 0 0 0 0 0 0 3.6648 0.0933 2.1559 O 0 0 0 0 0 0 0 0 0 4.1128 -4.1217 -1.2757 H 0 0 0 0 0 0 0 0 0 5.8331 -0.5825 -2.6587 H 0 0 0 0 0 0 0 0 0 4.4394 -0.7748 -3.7156 H 0 0 0 0 0 0 0 0 0 2.7651 -2.7875 0.1424 H 0 0 0 0 0 0 0 0 0 1.7663 -0.8616 0.7117 H 0 0 0 0 0 0 0 0 0 3.8499 1.2999 0.4994 H 0 0 0 0 0 0 0 0 0 2.2487 2.6264 1.7371 H 0 0 0 0 0 0 0 0 0 0.1903 1.9174 0.1156 H 0 0 0 0 0 0 0 0 0 1.8606 4.8751 -0.6621 H 0 0 0 0 0 0 0 0 0 0.3455 1.6446 2.5082 H 0 0 0 0 0 0 0 0 0 2.8401 2.8023 -1.0393 H 0 0 0 0 0 0 0 0 0 1.2557 2.9697 -1.7789 H 0 0 0 0 0 0 0 0 0 3.9506 0.7431 2.7890 H 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 5 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 9 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 9 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 6 0 0 0 10 22 1 1 0 0 0 11 17 1 0 0 0 0 11 12 1 1 0 0 0 11 23 1 6 0 0 0 12 15 1 1 0 0 0 12 13 1 0 0 0 0 12 24 1 6 0 0 0 13 16 1 6 0 0 0 13 25 1 1 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END > 126849 > K $$$$ 128305 1016 111283D 128305 37 39 0 1 V2000 0.7713 -1.7113 5.2500 O 0 0 0 0 0 0 0 0 0 -1.0778 0.7550 2.6952 O 0 0 0 0 0 0 0 0 0 -2.3016 -0.0829 0.3591 C 0 0 0 0 0 0 0 0 0 -2.9576 -0.4278 -0.8206 C 0 0 0 0 0 0 0 0 0 -1.7351 -1.0482 1.1830 C 0 0 0 0 0 0 0 0 0 -3.0480 -1.7686 -1.1881 C 0 0 0 0 0 0 0 0 0 -1.8311 -2.3841 0.8084 C 0 0 0 0 0 0 0 0 0 -1.0441 -0.5903 2.4459 C 0 0 0 0 0 0 0 0 0 -0.4338 -1.4517 3.2736 C 0 0 0 0 0 0 0 0 0 -2.4804 -2.7379 -0.3658 C 0 0 0 0 0 0 0 0 0 0.2071 -0.9360 4.5160 C 0 0 0 0 0 0 0 0 0 0.1173 0.5304 4.7948 C 0 0 0 0 0 0 0 0 0 -0.6793 2.6583 4.0175 C 0 0 0 0 0 0 0 0 0 -0.5431 1.2893 3.8344 C 0 0 0 0 0 0 0 0 0 -0.1628 3.2746 5.1480 C 0 0 0 0 0 0 0 0 0 0.5000 2.5089 6.0993 C 0 0 0 0 0 0 0 0 0 0.6470 1.1388 5.9318 C 0 0 0 0 0 0 0 0 0 -0.3259 4.6163 5.2842 O 0 0 0 0 0 0 0 0 0 1.3162 0.4955 6.9259 O 0 0 0 0 0 0 0 0 0 -3.5316 0.4887 -1.6593 O 0 0 0 0 0 0 0 0 0 -3.5044 1.8604 -1.3175 C 0 0 0 0 0 0 0 0 0 -3.6991 -2.0632 -2.3551 O 0 0 0 0 0 0 0 0 0 -3.9069 -3.4150 -2.7146 C 0 0 0 0 0 0 0 0 0 -2.2283 0.9250 0.6403 H 0 0 0 0 0 0 0 0 0 -1.4182 -3.1442 1.4012 H 0 0 0 0 0 0 0 0 0 -0.3929 -2.4790 3.0749 H 0 0 0 0 0 0 0 0 0 -2.5363 -3.7526 -0.6250 H 0 0 0 0 0 0 0 0 0 -1.1777 3.2335 3.2950 H 0 0 0 0 0 0 0 0 0 0.8970 2.9643 6.9574 H 0 0 0 0 0 0 0 0 0 0.0572 4.9253 6.0988 H 0 0 0 0 0 0 0 0 0 1.4215 -0.4326 6.7534 H 0 0 0 0 0 0 0 0 0 -3.9986 2.0287 -0.3710 H 0 0 0 0 0 0 0 0 0 -2.4863 2.2199 -1.2743 H 0 0 0 0 0 0 0 0 0 -4.0315 2.4131 -2.0814 H 0 0 0 0 0 0 0 0 0 -4.4421 -3.9423 -1.9373 H 0 0 0 0 0 0 0 0 0 -4.5018 -3.4423 -3.6157 H 0 0 0 0 0 0 0 0 0 -2.9634 -3.9030 -2.9122 H 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 15 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > 128305 > K $$$$ 128734 1016 111283D 128734 24 27 0 2 V2000 0.0062 1.2676 0.0091 N 0 0 0 0 0 0 0 0 0 3.4568 -0.8685 -0.0377 N 0 5 0 0 0 0 0 0 0 1.5667 -2.0345 -0.0248 N 0 3 0 0 0 0 0 0 0 0.7857 -3.1339 -0.0228 N 0 0 0 0 0 0 0 0 0 1.3882 -4.3481 -0.0355 N 0 0 0 0 0 0 0 0 0 5.5113 -4.7094 -0.0801 C 0 0 0 0 0 0 0 0 0 4.7113 -5.8454 -0.0780 C 0 0 0 0 0 0 0 0 0 4.9292 -3.4483 -0.0671 C 0 0 0 0 0 0 0 0 0 3.3271 -5.7250 -0.0631 C 0 0 0 0 0 0 0 0 0 3.5452 -3.3317 -0.0522 C 0 0 0 0 0 0 0 0 0 2.7391 -4.4664 -0.0501 C 0 0 0 0 0 0 0 0 0 2.9072 -2.1028 -0.0389 C 0 0 0 0 0 0 0 0 0 2.3962 1.3647 -0.0145 C 0 0 0 0 0 0 0 0 0 1.1573 1.9971 0.0015 C 0 0 0 0 0 0 0 0 0 2.4093 -0.0209 -0.0223 C 0 0 0 0 0 0 0 0 0 1.2311 -0.7394 -0.0143 C 0 0 0 0 0 0 0 0 0 0.0063 -0.0918 0.0016 C 0 0 0 0 0 0 0 0 0 6.5577 -4.8027 -0.0914 H 0 0 0 0 0 0 0 0 0 5.1550 -6.7976 -0.0878 H 0 0 0 0 0 0 0 0 0 5.5310 -2.5859 -0.0686 H 0 0 0 0 0 0 0 0 0 2.7259 -6.5866 -0.0615 H 0 0 0 0 0 0 0 0 0 3.2924 1.9120 -0.0206 H 0 0 0 0 0 0 0 0 0 1.1084 3.0467 0.0078 H 0 0 0 0 0 0 0 0 0 -0.8919 -0.6341 0.0077 H 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 14 2 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 5 11 2 0 0 0 0 6 8 2 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 9 2 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 24 1 0 0 0 0 M CHG 2 2 -1 3 1 M END > 128734 > K $$$$ 129943 1016 111283D 129943 35 36 1 1 V2000 -0.8725 -1.3605 2.4080 O 0 0 0 0 0 0 0 0 0 2.2526 1.7442 2.6202 O 0 0 0 0 0 0 0 0 0 -0.4078 1.4554 0.2669 N 0 0 0 0 0 0 0 0 0 -1.2031 4.2498 -0.2604 N 0 0 0 0 0 0 0 0 0 -4.1238 4.7587 1.7520 O 0 0 0 0 0 0 0 0 0 -0.7570 7.5294 1.1287 O 0 0 0 0 0 0 0 0 0 -0.7198 5.6381 -0.2684 C 0 0 0 0 0 0 0 0 0 -1.2992 6.4953 0.8236 C 0 0 0 0 0 0 0 0 0 -0.7733 0.0592 0.5354 C 0 0 0 0 0 0 0 0 0 -0.3330 -0.4113 1.8940 C 0 0 0 0 0 0 0 0 0 -2.6228 4.0855 0.0741 C 0 0 0 0 0 0 0 0 0 -3.1062 5.0120 1.1550 C 0 0 0 0 0 0 0 0 0 0.9698 1.7849 0.6485 C 0 0 0 0 0 0 0 0 0 1.3401 1.2495 2.0049 C 0 0 0 0 0 0 0 0 0 0.6699 0.2104 2.5584 N 0 0 0 0 0 0 0 0 0 -0.8121 1.8941 -1.0694 C 0 0 0 0 0 0 0 0 0 -0.6721 3.4015 -1.3344 C 0 0 1 0 0 0 0 0 0 -1.3270 3.7237 -2.6820 C 0 0 0 0 0 0 0 0 0 -2.4293 6.1391 1.4781 N 0 0 0 0 0 0 0 0 0 0.3567 5.6488 -0.1712 H 0 0 0 0 0 0 0 0 0 -0.9856 6.1278 -1.1921 H 0 0 0 0 0 0 0 0 0 -1.8455 -0.0594 0.4727 H 0 0 0 0 0 0 0 0 0 -0.3087 -0.5944 -0.1886 H 0 0 0 0 0 0 0 0 0 -3.2363 4.2938 -0.7885 H 0 0 0 0 0 0 0 0 0 -2.8058 3.0727 0.4015 H 0 0 0 0 0 0 0 0 0 1.6639 1.3607 -0.0621 H 0 0 0 0 0 0 0 0 0 1.1038 2.8562 0.6743 H 0 0 0 0 0 0 0 0 0 0.9107 -0.0927 3.4462 H 0 0 0 0 0 0 0 0 0 -0.2246 1.3609 -1.8056 H 0 0 0 0 0 0 0 0 0 -1.8483 1.6243 -1.2215 H 0 0 0 0 0 0 0 0 0 0.3860 3.6065 -1.4298 H 0 0 0 0 0 0 0 0 0 -1.2216 4.7731 -2.9100 H 0 0 0 0 0 0 0 0 0 -0.8549 3.1517 -3.4669 H 0 0 0 0 0 0 0 0 0 -2.3787 3.4760 -2.6579 H 0 0 0 0 0 0 0 0 0 -2.7593 6.7015 2.1943 H 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 14 2 0 0 0 0 3 16 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 17 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 12 2 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 6 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 129943 > K $$$$ 132493 1016 111283D 132493 26 27 0 1 V2000 0.0580 4.2707 0.1369 O 0 0 0 0 0 0 0 0 0 4.5635 1.5311 -0.2054 O 0 0 0 0 0 0 0 0 0 -0.1341 1.4631 0.0865 N 0 0 0 0 0 0 0 0 0 1.0839 3.6342 0.0771 C 0 0 0 0 0 0 0 0 0 1.0439 2.1323 0.0402 C 0 0 0 0 0 0 0 0 0 2.4060 4.3561 0.0401 C 0 0 0 0 0 0 0 0 0 2.2327 1.4206 -0.0417 C 0 0 0 0 0 0 0 0 0 3.5574 3.6737 -0.0626 C 0 0 0 0 0 0 0 0 0 2.1906 0.0319 -0.0586 C 0 0 0 0 0 0 0 0 0 -0.2004 0.1116 0.0937 C 0 0 0 0 0 0 0 0 0 0.9715 -0.6290 0.0123 C 0 0 0 0 0 0 0 0 0 3.5368 2.1619 -0.1104 C 0 0 0 0 0 0 0 0 0 2.4382 5.7922 0.1183 N 0 0 0 0 0 0 0 0 0 4.7133 4.4005 -0.1254 O 0 0 0 0 0 0 0 0 0 5.8117 3.8874 0.6053 C 0 0 0 0 0 0 0 0 0 -1.5375 -0.5614 0.1880 C 0 0 0 0 0 0 0 0 0 3.0814 -0.5220 -0.1243 H 0 0 0 0 0 0 0 0 0 0.9373 -1.6789 0.0055 H 0 0 0 0 0 0 0 0 0 1.5270 6.1961 0.0259 H 0 0 0 0 0 0 0 0 0 3.0701 6.1848 -0.5511 H 0 0 0 0 0 0 0 0 0 6.2316 3.0138 0.1296 H 0 0 0 0 0 0 0 0 0 6.5742 4.6519 0.6432 H 0 0 0 0 0 0 0 0 0 5.5283 3.6494 1.6218 H 0 0 0 0 0 0 0 0 0 -1.9066 -0.7635 -0.8068 H 0 0 0 0 0 0 0 0 0 -1.4554 -1.4891 0.7352 H 0 0 0 0 0 0 0 0 0 -2.2333 0.0886 0.6980 H 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 13 1 0 0 0 0 6 8 2 0 0 0 0 7 12 1 0 0 0 0 7 9 2 0 0 0 0 8 14 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 16 1 0 0 0 0 10 11 2 0 0 0 0 11 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M END > 132493 > K $$$$ 132791 1016 111283D 132791 69 73 1 1 V2000 2.6389 -1.0778 5.4861 O 0 0 0 0 0 0 0 0 0 4.4532 0.3984 2.1276 H 0 0 0 0 0 0 0 0 0 2.1828 -0.3020 0.7828 H 0 0 0 0 0 0 0 0 0 4.2962 2.6490 -0.6298 H 0 0 0 0 0 0 0 0 0 0.3216 2.3566 0.4746 O 0 0 0 0 0 0 0 0 0 2.6739 1.7556 -2.1984 H 0 0 0 0 0 0 0 0 0 4.7711 0.7480 -0.0475 O 0 0 0 0 0 0 0 0 0 3.2997 -0.3640 -3.0805 O 0 0 0 0 0 0 0 0 0 5.1976 -1.1030 -1.1380 O 0 0 0 0 0 0 0 0 0 4.6421 -1.8410 -4.5756 C 0 0 2 0 0 0 0 0 0 0.0667 0.2161 -0.6119 C 0 0 2 0 0 0 0 0 0 0.7819 0.8652 -1.8047 C 0 0 1 0 0 0 0 0 0 0.4454 0.9612 0.6850 C 0 0 1 0 0 0 0 0 0 2.2793 1.0467 -1.4831 C 0 0 2 0 0 0 0 0 0 1.9236 0.7185 1.0209 C 0 0 1 0 0 0 0 0 0 3.0894 -0.2390 -1.6839 C 0 0 2 0 0 0 0 0 0 2.4779 1.6438 -0.0709 C 0 0 2 0 0 0 0 0 0 1.5778 2.8768 0.0762 C 0 0 0 0 0 0 0 0 0 2.4231 0.9683 2.4747 C 0 0 1 0 0 0 0 0 0 2.2717 -0.3521 3.2649 C 0 0 1 0 0 0 0 0 0 2.9576 -0.3097 4.6095 C 0 0 0 0 0 0 0 0 0 4.4049 -0.2134 -0.9414 C 0 0 0 0 0 0 0 0 0 3.9764 1.9100 0.0928 C 0 0 1 0 0 0 0 0 0 3.9416 1.2817 2.4862 C 0 0 1 0 0 0 0 0 0 4.0487 0.6867 4.8703 C 0 0 0 0 0 0 0 0 0 4.3177 2.3940 1.5002 C 0 0 0 0 0 0 0 0 0 4.5037 1.4692 3.8802 C 0 0 0 0 0 0 0 0 0 0.9048 -0.6873 3.3697 O 0 0 0 0 0 0 0 0 0 5.5599 2.5014 4.1769 C 0 0 0 0 0 0 0 0 0 -0.4475 0.5978 1.7039 O 0 0 0 0 0 0 0 0 0 1.6258 2.0612 3.2154 C 0 0 0 0 0 0 0 0 0 0.4509 -1.1428 -0.5376 O 0 0 0 0 0 0 0 0 0 0.5103 0.1502 -3.1308 C 0 0 0 0 0 0 0 0 0 3.6779 -1.6223 -3.4365 C 0 0 0 0 0 0 0 0 0 3.2365 -2.5722 -2.8332 O 0 0 0 0 0 0 0 0 0 5.2349 -0.6369 -5.0242 O 0 0 0 0 0 0 0 0 0 3.8787 -2.4302 -5.7634 C 0 0 0 0 0 0 0 0 0 5.7380 -2.7835 -4.0615 C 0 0 0 0 0 0 0 0 0 6.8198 -3.0871 -5.0962 C 0 0 0 0 0 0 0 0 0 -1.0034 0.3073 -0.7391 H 0 0 0 0 0 0 0 0 0 0.3505 1.8489 -1.9242 H 0 0 0 0 0 0 0 0 0 2.5316 -1.0752 -1.2882 H 0 0 0 0 0 0 0 0 0 1.4979 3.4266 -0.8514 H 0 0 0 0 0 0 0 0 0 1.9332 3.5721 0.8178 H 0 0 0 0 0 0 0 0 0 2.7708 -1.1437 2.7225 H 0 0 0 0 0 0 0 0 0 4.4460 0.7635 5.8393 H 0 0 0 0 0 0 0 0 0 5.3837 2.5663 1.5282 H 0 0 0 0 0 0 0 0 0 3.8168 3.3181 1.7447 H 0 0 0 0 0 0 0 0 0 0.8187 -1.5277 3.8093 H 0 0 0 0 0 0 0 0 0 5.7743 2.5481 5.2351 H 0 0 0 0 0 0 0 0 0 6.4688 2.2516 3.6495 H 0 0 0 0 0 0 0 0 0 5.2184 3.4757 3.8582 H 0 0 0 0 0 0 0 0 0 -1.2230 1.1364 1.6074 H 0 0 0 0 0 0 0 0 0 1.9510 2.1563 4.2399 H 0 0 0 0 0 0 0 0 0 1.7401 3.0273 2.7566 H 0 0 0 0 0 0 0 0 0 0.5759 1.8138 3.2382 H 0 0 0 0 0 0 0 0 0 -0.1158 -1.6653 -1.0971 H 0 0 0 0 0 0 0 0 0 -0.5503 0.1526 -3.3363 H 0 0 0 0 0 0 0 0 0 1.0205 0.6672 -3.9310 H 0 0 0 0 0 0 0 0 0 0.8572 -0.8719 -3.0962 H 0 0 0 0 0 0 0 0 0 5.6059 -0.1728 -4.2788 H 0 0 0 0 0 0 0 0 0 3.4649 -3.3956 -5.5087 H 0 0 0 0 0 0 0 0 0 3.0763 -1.7641 -6.0465 H 0 0 0 0 0 0 0 0 0 4.5464 -2.5390 -6.6052 H 0 0 0 0 0 0 0 0 0 6.2177 -2.3147 -3.2140 H 0 0 0 0 0 0 0 0 0 5.2943 -3.7124 -3.7293 H 0 0 0 0 0 0 0 0 0 7.2601 -2.1676 -5.4536 H 0 0 0 0 0 0 0 0 0 7.5898 -3.6883 -4.6357 H 0 0 0 0 0 0 0 0 0 6.3995 -3.6309 -5.9291 H 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 24 1 0 0 0 0 3 15 1 0 0 0 0 4 23 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 14 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 16 1 0 0 0 0 8 34 1 0 0 0 0 9 22 2 0 0 0 0 10 36 1 0 0 0 0 10 34 1 1 0 0 0 10 38 1 6 0 0 0 10 37 1 0 0 0 0 11 32 1 0 0 0 0 11 13 1 1 0 0 0 11 12 1 6 0 0 0 11 40 1 0 0 0 0 12 14 1 1 0 0 0 12 33 1 6 0 0 0 12 41 1 0 0 0 0 13 30 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 6 0 0 0 14 17 1 1 0 0 0 15 17 1 6 0 0 0 15 19 1 1 0 0 0 16 22 1 1 0 0 0 16 42 1 0 0 0 0 17 23 1 1 0 0 0 17 18 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 19 31 1 0 0 0 0 20 28 1 6 0 0 0 20 21 1 1 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 23 26 1 1 0 0 0 24 27 1 1 0 0 0 24 26 1 6 0 0 0 25 27 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 35 2 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 M END > 132791 > K $$$$ 135996 1016 111283D 135996 35 37 1 1 V2000 -0.6023 1.6281 -1.7775 N 0 0 0 0 0 0 0 0 0 0.6685 2.8441 -0.2924 N 0 0 0 0 0 0 0 0 0 1.4829 2.7589 -2.8506 S 0 0 0 0 0 0 0 0 0 0.2939 2.0367 -4.0132 C 0 0 1 0 0 0 0 0 0 -0.6267 1.1710 -3.1455 C 0 0 0 0 0 0 0 0 0 0.4540 2.4146 -1.4505 C 0 0 0 0 0 0 0 0 0 1.6716 3.7110 0.0187 C 0 0 0 0 0 0 0 0 0 2.7045 3.2515 0.8266 C 0 0 0 0 0 0 0 0 0 1.6886 5.0253 -0.4489 C 0 0 0 0 0 0 0 0 0 0.6559 5.5290 -1.2381 C 0 0 0 0 0 0 0 0 0 0.6976 6.8318 -1.7150 C 0 0 0 0 0 0 0 0 0 3.7590 4.0892 1.1623 C 0 0 0 0 0 0 0 0 0 2.7534 5.8639 -0.1170 C 0 0 0 0 0 0 0 0 0 1.7664 7.6558 -1.3911 C 0 0 0 0 0 0 0 0 0 3.7857 5.3925 0.6864 C 0 0 0 0 0 0 0 0 0 2.7920 7.1712 -0.5913 C 0 0 0 0 0 0 0 0 0 -1.6329 1.2588 -0.8442 C 0 0 0 0 0 0 0 0 0 -0.4879 3.0399 -4.6333 O 0 0 0 0 0 0 0 0 0 0.2518 3.8653 -5.5104 C 0 0 0 0 0 0 0 0 0 0.7914 1.4257 -4.7535 H 0 0 0 0 0 0 0 0 0 -0.2630 0.1537 -3.1655 H 0 0 0 0 0 0 0 0 0 -1.6258 1.1964 -3.5570 H 0 0 0 0 0 0 0 0 0 2.6831 2.2652 1.1845 H 0 0 0 0 0 0 0 0 0 -0.1674 4.9262 -1.4860 H 0 0 0 0 0 0 0 0 0 -0.0814 7.1954 -2.3193 H 0 0 0 0 0 0 0 0 0 4.5373 3.7369 1.7739 H 0 0 0 0 0 0 0 0 0 1.7994 8.6422 -1.7518 H 0 0 0 0 0 0 0 0 0 4.5895 6.0203 0.9400 H 0 0 0 0 0 0 0 0 0 3.5959 7.8017 -0.3455 H 0 0 0 0 0 0 0 0 0 -1.3778 1.5571 0.1626 H 0 0 0 0 0 0 0 0 0 -2.5546 1.7501 -1.1235 H 0 0 0 0 0 0 0 0 0 -1.7854 0.1898 -0.8619 H 0 0 0 0 0 0 0 0 0 0.7755 3.2760 -6.2503 H 0 0 0 0 0 0 0 0 0 -0.4346 4.5258 -6.0200 H 0 0 0 0 0 0 0 0 0 0.9605 4.4674 -4.9596 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 5 1 0 0 0 0 1 17 1 0 0 0 0 2 6 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 18 1 6 0 0 0 4 5 1 0 0 0 0 4 20 1 1 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 9 13 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 15 2 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 135996 > K $$$$ 136037 1016 111283D 136037 36 39 1 1 V2000 0.0407 1.3609 -0.0639 O 0 0 0 0 0 0 0 0 0 1.5332 0.9046 2.3846 O 0 0 0 0 0 0 0 0 0 3.2045 1.8335 1.2731 O 0 0 0 0 0 0 0 0 0 2.0189 1.1638 1.3092 C 0 0 0 0 0 0 0 0 0 1.3125 0.7519 0.0418 C 0 0 1 0 0 0 0 0 0 0.0044 -0.0221 0.1801 C 0 0 0 0 0 0 0 0 0 2.0876 0.8207 -1.2871 C 0 0 1 0 0 0 0 0 0 4.0647 1.3920 0.2433 C 0 0 0 0 0 0 0 0 0 3.4419 1.5417 -1.1452 C 0 0 1 0 0 0 0 0 0 4.3169 0.8100 -2.1115 C 0 0 0 0 0 0 0 0 0 3.7458 -0.3106 -2.5539 C 0 0 0 0 0 0 0 0 0 2.3723 -0.5277 -1.9882 C 0 0 2 0 0 0 0 0 0 1.2264 1.4917 -2.3178 C 0 0 0 0 0 0 0 0 0 0.7918 0.6632 -3.2684 C 0 0 0 0 0 0 0 0 0 1.2742 -0.7373 -3.0485 C 0 0 1 0 0 0 0 0 0 -0.0783 1.0991 -4.4120 C 0 0 0 0 0 0 0 0 0 1.6936 -1.4510 -4.3362 C 0 0 0 0 0 0 0 0 0 5.6769 1.2906 -2.5205 C 0 0 0 0 0 0 0 0 0 6.3460 0.6599 -3.3502 O 0 0 0 0 0 0 0 0 0 6.1749 2.4256 -1.9757 O 0 0 0 0 0 0 0 0 0 -0.3617 -0.2497 1.1711 H 0 0 0 0 0 0 0 0 0 -0.3895 -0.5629 -0.6664 H 0 0 0 0 0 0 0 0 0 4.9720 1.9792 0.2803 H 0 0 0 0 0 0 0 0 0 4.3322 0.3585 0.4244 H 0 0 0 0 0 0 0 0 0 3.3588 2.5919 -1.3879 H 0 0 0 0 0 0 0 0 0 4.2115 -0.9704 -3.2268 H 0 0 0 0 0 0 0 0 0 2.4194 -1.3551 -1.2942 H 0 0 0 0 0 0 0 0 0 0.9876 2.5148 -2.2881 H 0 0 0 0 0 0 0 0 0 0.4654 -1.2990 -2.6045 H 0 0 0 0 0 0 0 0 0 -0.2859 2.1577 -4.3466 H 0 0 0 0 0 0 0 0 0 0.4274 0.9033 -5.3463 H 0 0 0 0 0 0 0 0 0 -1.0101 0.5542 -4.3876 H 0 0 0 0 0 0 0 0 0 0.8326 -1.5750 -4.9775 H 0 0 0 0 0 0 0 0 0 2.4393 -0.8759 -4.8662 H 0 0 0 0 0 0 0 0 0 2.0935 -2.4261 -4.1000 H 0 0 0 0 0 0 0 0 0 7.0306 2.5695 -2.3640 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 6 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 1 0 0 0 7 12 1 0 0 0 0 7 13 1 6 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 6 0 0 0 9 25 1 0 0 0 0 10 18 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 6 0 0 0 12 27 1 1 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 6 0 0 0 15 29 1 1 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 36 1 0 0 0 0 M END > 136037 > K $$$$ 136044 1016 111283D 136044 98103 1 1 V2000 -8.3759 -3.1765 1.3180 O 0 0 0 0 0 0 0 0 0 -9.4180 -6.5911 -2.5663 O 0 0 0 0 0 0 0 0 0 -8.9893 -3.0510 -6.8254 O 0 0 0 0 0 0 0 0 0 -4.0848 -2.2901 -2.4167 O 0 0 0 0 0 0 0 0 0 -7.3380 -2.0765 -5.5455 O 0 0 0 0 0 0 0 0 0 -4.5218 -3.9006 -0.8464 O 0 0 0 0 0 0 0 0 0 -4.2083 -4.9599 -1.7335 C 0 0 1 0 0 0 0 0 0 -2.7100 -5.2966 -1.6986 C 0 0 1 0 0 0 0 0 0 -1.9407 -4.0277 -2.0825 C 0 0 1 0 0 0 0 0 0 -2.2889 -2.9425 -1.0590 C 0 0 0 0 0 0 0 0 0 -3.7987 -2.7095 -1.0999 C 0 0 1 0 0 0 0 0 0 -5.3104 -1.6038 -2.6050 C 0 0 1 0 0 0 0 0 0 -5.2106 -1.0597 -4.0333 C 0 0 1 0 0 0 0 0 0 -6.4337 -2.5917 -2.4226 C 0 0 0 0 0 0 0 0 0 -6.9858 -2.7547 -1.1593 C 0 0 0 0 0 0 0 0 0 -7.9324 -3.7562 -0.9412 C 0 0 0 0 0 0 0 0 0 -8.5922 -3.9328 0.4024 C 0 0 0 0 0 0 0 0 0 -9.5503 -5.0591 0.6552 C 0 0 0 0 0 0 0 0 0 -10.1240 -5.1776 1.9155 C 0 0 0 0 0 0 0 0 0 -11.0140 -6.2074 2.1808 C 0 0 0 0 0 0 0 0 0 -5.1597 -2.2822 -4.9656 C 0 0 0 0 0 0 0 0 0 -6.9056 -3.3386 -3.4942 C 0 0 0 0 0 0 0 0 0 -8.2828 -4.6183 -1.9794 C 0 0 0 0 0 0 0 0 0 -9.8590 -5.9671 -0.3524 C 0 0 0 0 0 0 0 0 0 -11.3256 -7.1141 1.1787 C 0 0 0 0 0 0 0 0 0 -6.4928 -3.0241 -4.9159 C 0 0 1 0 0 0 0 0 0 -7.7785 -4.3924 -3.2613 C 0 0 0 0 0 0 0 0 0 -9.2028 -5.7838 -1.6968 C 0 0 0 0 0 0 0 0 0 -10.7565 -7.0032 -0.0826 C 0 0 0 0 0 0 0 0 0 -8.7220 -2.3427 -5.6321 C 0 0 1 0 0 0 0 0 0 -9.4173 -0.9845 -5.5798 C 0 0 0 0 0 0 0 0 0 -9.0088 -0.1335 -6.7868 C 0 0 1 0 0 0 0 0 0 -8.7977 -2.3285 -8.0289 C 0 0 1 0 0 0 0 0 0 -9.4421 -0.9311 -8.0261 C 0 0 1 0 0 0 0 0 0 -11.1609 -7.9658 -0.9546 O 0 0 0 0 0 0 0 0 0 -10.8535 -1.0223 -8.0298 O 0 0 0 0 0 0 0 0 0 -6.5303 -1.8825 -0.2170 O 0 0 0 0 0 0 0 0 0 -8.0627 -5.1325 -4.3675 O 0 0 0 0 0 0 0 0 0 -7.3143 -2.3073 -8.4001 C 0 0 0 0 0 0 0 0 0 -9.5581 1.2278 -6.6739 N 0 0 0 0 0 0 0 0 0 -8.9157 2.0589 -5.6541 C 0 0 0 0 0 0 0 0 0 -9.7279 1.9696 -7.9224 C 0 0 0 0 0 0 0 0 0 -0.5028 -4.2442 -2.2763 N 0 0 0 0 0 0 0 0 0 0.2109 -3.1295 -2.8928 C 0 0 0 0 0 0 0 0 0 0.2421 -4.8948 -1.2015 C 0 0 0 0 0 0 0 0 0 -5.0509 -6.1656 -1.3283 C 0 0 0 0 0 0 0 0 0 -6.3330 -0.2278 -4.2385 O 0 0 0 0 0 0 0 0 0 -3.9431 -0.1992 -4.1460 C 0 0 0 0 0 0 0 0 0 -3.7529 0.4831 -5.5014 C 0 0 0 0 0 0 0 0 0 -2.3139 -5.7120 -0.4045 O 0 0 0 0 0 0 0 0 0 -4.4819 -4.6834 -2.7427 H 0 0 0 0 0 0 0 0 0 -2.4903 -6.0642 -2.4279 H 0 0 0 0 0 0 0 0 0 -2.3211 -3.7068 -3.0431 H 0 0 0 0 0 0 0 0 0 -1.9958 -3.2523 -0.0672 H 0 0 0 0 0 0 0 0 0 -1.7927 -2.0179 -1.3121 H 0 0 0 0 0 0 0 0 0 -4.0588 -1.9525 -0.3707 H 0 0 0 0 0 0 0 0 0 -5.4150 -0.7700 -1.9242 H 0 0 0 0 0 0 0 0 0 -9.8857 -4.4877 2.6721 H 0 0 0 0 0 0 0 0 0 -11.4496 -6.3004 3.1325 H 0 0 0 0 0 0 0 0 0 -4.9942 -1.9707 -5.9852 H 0 0 0 0 0 0 0 0 0 -4.3573 -2.9437 -4.6726 H 0 0 0 0 0 0 0 0 0 -11.9998 -7.8966 1.3697 H 0 0 0 0 0 0 0 0 0 -6.4338 -3.9252 -5.5117 H 0 0 0 0 0 0 0 0 0 -9.0955 -2.9214 -4.8013 H 0 0 0 0 0 0 0 0 0 -10.4883 -1.1267 -5.5804 H 0 0 0 0 0 0 0 0 0 -9.1255 -0.5074 -4.6576 H 0 0 0 0 0 0 0 0 0 -7.9326 -0.0487 -6.8165 H 0 0 0 0 0 0 0 0 0 -9.2917 -2.8945 -8.8055 H 0 0 0 0 0 0 0 0 0 -9.1204 -0.4068 -8.9147 H 0 0 0 0 0 0 0 0 0 -10.7792 -7.8798 -1.8169 H 0 0 0 0 0 0 0 0 0 -11.1451 -1.4708 -8.8156 H 0 0 0 0 0 0 0 0 0 -6.7778 -2.1219 0.6657 H 0 0 0 0 0 0 0 0 0 -8.7910 -5.7283 -4.2629 H 0 0 0 0 0 0 0 0 0 -6.9395 -3.3203 -8.3990 H 0 0 0 0 0 0 0 0 0 -7.1896 -1.8855 -9.3865 H 0 0 0 0 0 0 0 0 0 -6.7453 -1.7232 -7.6940 H 0 0 0 0 0 0 0 0 0 -7.8859 2.2485 -5.9224 H 0 0 0 0 0 0 0 0 0 -9.4311 3.0049 -5.5648 H 0 0 0 0 0 0 0 0 0 -8.9388 1.5864 -4.6840 H 0 0 0 0 0 0 0 0 0 -10.1586 2.9421 -7.7305 H 0 0 0 0 0 0 0 0 0 -8.7748 2.0993 -8.4154 H 0 0 0 0 0 0 0 0 0 -10.4031 1.4436 -8.5815 H 0 0 0 0 0 0 0 0 0 -0.3506 -2.7356 -3.7284 H 0 0 0 0 0 0 0 0 0 0.3704 -2.3419 -2.1703 H 0 0 0 0 0 0 0 0 0 1.1697 -3.4680 -3.2591 H 0 0 0 0 0 0 0 0 0 1.2754 -5.0272 -1.4885 H 0 0 0 0 0 0 0 0 0 0.1985 -4.3012 -0.2999 H 0 0 0 0 0 0 0 0 0 -0.1654 -5.8745 -1.0018 H 0 0 0 0 0 0 0 0 0 -6.0956 -5.9143 -1.4023 H 0 0 0 0 0 0 0 0 0 -4.8440 -7.0041 -1.9770 H 0 0 0 0 0 0 0 0 0 -4.8342 -6.4354 -0.3058 H 0 0 0 0 0 0 0 0 0 -6.4386 -0.0619 -5.1683 H 0 0 0 0 0 0 0 0 0 -3.9925 0.5761 -3.3947 H 0 0 0 0 0 0 0 0 0 -3.0747 -0.8112 -3.9478 H 0 0 0 0 0 0 0 0 0 -2.8510 1.0774 -5.4740 H 0 0 0 0 0 0 0 0 0 -3.6562 -0.2500 -6.2882 H 0 0 0 0 0 0 0 0 0 -4.5897 1.1319 -5.7150 H 0 0 0 0 0 0 0 0 0 -2.6113 -6.6003 -0.2455 H 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 28 2 0 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 26 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 6 0 0 0 7 46 1 0 0 0 0 7 51 1 1 0 0 0 8 50 1 6 0 0 0 8 9 1 1 0 0 0 8 52 1 0 0 0 0 9 43 1 6 0 0 0 9 10 1 1 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 56 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 12 57 1 6 0 0 0 13 47 1 1 0 0 0 13 21 1 0 0 0 0 13 48 1 6 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 17 18 1 0 0 0 0 18 24 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 58 1 0 0 0 0 20 25 1 0 0 0 0 20 59 1 0 0 0 0 21 26 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 29 2 0 0 0 0 25 62 1 0 0 0 0 26 63 1 1 0 0 0 27 38 1 0 0 0 0 29 35 1 0 0 0 0 30 31 1 1 0 0 0 30 64 1 6 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 40 1 1 0 0 0 32 34 1 0 0 0 0 32 67 1 6 0 0 0 33 34 1 1 0 0 0 33 39 1 6 0 0 0 33 68 1 0 0 0 0 34 36 1 1 0 0 0 34 69 1 6 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 47 92 1 0 0 0 0 48 49 1 0 0 0 0 48 93 1 0 0 0 0 48 94 1 0 0 0 0 49 95 1 0 0 0 0 49 96 1 0 0 0 0 49 97 1 0 0 0 0 50 98 1 0 0 0 0 M END > 136044 > K $$$$ 138429 1016 111283D 138429 63 64 1 1 V2000 2.0376 17.8400 7.6905 O 0 0 0 0 0 0 0 0 0 0.9819 11.2593 5.4845 O 0 0 0 0 0 0 0 0 0 -0.3309 14.7328 7.9532 O 0 0 0 0 0 0 0 0 0 2.4835 11.0478 3.8642 N 0 0 0 0 0 0 0 0 0 1.0667 15.2823 5.3054 O 0 0 0 0 0 0 0 0 0 1.6481 12.7152 7.7942 O 0 0 0 0 0 0 0 0 0 1.8712 13.1632 4.7402 N 0 0 0 0 0 0 0 0 0 3.2743 11.5670 3.0433 C 0 0 0 0 0 0 0 0 0 3.4115 13.0608 2.9804 C 0 0 0 0 0 0 0 0 0 2.6919 13.7885 3.8441 C 0 0 0 0 0 0 0 0 0 1.7483 11.8029 4.7264 C 0 0 0 0 0 0 0 0 0 1.1271 13.9259 5.7062 C 0 0 1 0 0 0 0 0 0 1.7870 13.9413 7.0858 C 0 0 1 0 0 0 0 0 0 1.0059 15.1178 7.6720 C 0 0 1 0 0 0 0 0 0 0.9697 16.0743 6.4764 C 0 0 1 0 0 0 0 0 0 3.1923 18.2928 9.8360 C 0 0 0 0 0 0 0 0 0 2.9009 19.7886 9.9804 C 0 0 0 0 0 0 0 0 0 3.7511 20.6201 9.0205 C 0 0 0 0 0 0 0 0 0 3.1899 17.8218 8.4132 C 0 0 0 0 0 0 0 0 0 4.2237 17.4307 7.9257 O 0 0 0 0 0 0 0 0 0 2.0939 17.1116 6.4758 C 0 0 0 0 0 0 0 0 0 -0.4295 13.9518 9.0625 C 0 0 0 0 0 0 0 0 0 0.4227 13.9801 9.9177 O 0 0 0 0 0 0 0 0 0 3.9973 10.7702 2.2188 N 0 0 0 0 0 0 0 0 0 2.4095 12.6601 8.9231 C 0 0 0 0 0 0 0 0 0 3.0822 13.6144 9.2365 O 0 0 0 0 0 0 0 0 0 -1.5977 13.0399 9.2567 C 0 0 0 0 0 0 0 0 0 -2.5212 13.6584 10.3041 C 0 0 0 0 0 0 0 0 0 -3.6842 12.7279 10.6334 C 0 0 0 0 0 0 0 0 0 2.4426 11.4435 9.8089 C 0 0 0 0 0 0 0 0 0 1.8408 10.1539 9.2395 C 0 0 0 0 0 0 0 0 0 1.9550 9.0012 10.2434 C 0 0 0 0 0 0 0 0 0 4.0505 13.5159 2.2835 H 0 0 0 0 0 0 0 0 0 2.7641 14.8375 3.8256 H 0 0 0 0 0 0 0 0 0 0.1195 13.5389 5.8007 H 0 0 0 0 0 0 0 0 0 2.8273 14.2078 6.9548 H 0 0 0 0 0 0 0 0 0 1.4944 15.5526 8.5337 H 0 0 0 0 0 0 0 0 0 0.0309 16.6089 6.4980 H 0 0 0 0 0 0 0 0 0 4.1736 18.0961 10.2424 H 0 0 0 0 0 0 0 0 0 2.4673 17.7201 10.3948 H 0 0 0 0 0 0 0 0 0 1.8544 19.9897 9.7956 H 0 0 0 0 0 0 0 0 0 3.1316 20.0775 10.9962 H 0 0 0 0 0 0 0 0 0 3.3188 20.5769 8.0306 H 0 0 0 0 0 0 0 0 0 3.7870 21.6492 9.3456 H 0 0 0 0 0 0 0 0 0 4.7555 20.2231 8.9859 H 0 0 0 0 0 0 0 0 0 1.9351 17.7924 5.6514 H 0 0 0 0 0 0 0 0 0 3.0325 16.6020 6.3055 H 0 0 0 0 0 0 0 0 0 3.9098 9.8056 2.2797 H 0 0 0 0 0 0 0 0 0 4.6037 11.1554 1.5675 H 0 0 0 0 0 0 0 0 0 -2.1170 12.9003 8.3199 H 0 0 0 0 0 0 0 0 0 -1.2300 12.0865 9.6075 H 0 0 0 0 0 0 0 0 0 -1.9580 13.8432 11.2086 H 0 0 0 0 0 0 0 0 0 -2.9039 14.5987 9.9325 H 0 0 0 0 0 0 0 0 0 -3.3035 11.8097 11.0571 H 0 0 0 0 0 0 0 0 0 -4.3337 13.2067 11.3516 H 0 0 0 0 0 0 0 0 0 -4.2466 12.5049 9.7384 H 0 0 0 0 0 0 0 0 0 3.4747 11.2570 10.0661 H 0 0 0 0 0 0 0 0 0 1.9041 11.6962 10.7099 H 0 0 0 0 0 0 0 0 0 0.7967 10.3171 9.0145 H 0 0 0 0 0 0 0 0 0 2.3534 9.8725 8.3303 H 0 0 0 0 0 0 0 0 0 1.4715 9.2625 11.1741 H 0 0 0 0 0 0 0 0 0 1.4792 8.1169 9.8441 H 0 0 0 0 0 0 0 0 0 2.9929 8.7728 10.4415 H 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 3 14 1 0 0 0 0 3 22 1 0 0 0 0 4 11 1 0 0 0 0 4 8 2 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 10 1 0 0 0 0 8 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 6 0 0 0 13 14 1 6 0 0 0 13 36 1 1 0 0 0 14 15 1 0 0 0 0 14 37 1 1 0 0 0 15 21 1 0 0 0 0 15 38 1 6 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 M END > 138429 > K $$$$ 139105 1016 111283D 139105 55 57 0 1 V2000 3.7184 -14.9657 1.2035 Cl 0 0 0 0 0 0 0 0 0 3.2784 -21.5890 -1.0708 N 0 0 0 0 0 0 0 0 0 1.9729 -14.0641 -1.0050 O 0 0 0 0 0 0 0 0 0 2.2684 -19.5659 -0.5097 N 0 0 0 0 0 0 0 0 0 1.5073 -21.7692 0.4091 N 0 0 0 0 0 0 0 0 0 -0.5242 -11.8579 0.0670 C 0 0 0 0 0 0 0 0 0 -0.6516 -10.6257 0.7056 C 0 0 0 0 0 0 0 0 0 0.5863 -12.1110 -0.7181 C 0 0 0 0 0 0 0 0 0 0.3371 -9.6543 0.5541 C 0 0 0 0 0 0 0 0 0 1.5678 -11.1446 -0.8677 C 0 0 0 0 0 0 0 0 0 1.4440 -9.9188 -0.2333 C 0 0 0 0 0 0 0 0 0 2.0460 -15.4183 -0.8827 C 0 0 0 0 0 0 0 0 0 2.8310 -15.9838 0.1130 C 0 0 0 0 0 0 0 0 0 1.3327 -16.2309 -1.7525 C 0 0 0 0 0 0 0 0 0 1.4065 -17.6078 -1.6295 C 0 0 0 0 0 0 0 0 0 2.9060 -17.3605 0.2385 C 0 0 0 0 0 0 0 0 0 2.1947 -18.1763 -0.6346 C 0 0 0 0 0 0 0 0 0 1.3354 -20.3073 0.3559 C 0 0 0 0 0 0 0 0 0 3.2135 -20.2994 -1.1892 C 0 0 0 0 0 0 0 0 0 2.4481 -22.3177 -0.2911 C 0 0 0 0 0 0 0 0 0 4.1000 -19.6475 -2.0049 N 0 0 0 0 0 0 0 0 0 2.6160 -23.6859 -0.2473 N 0 0 0 0 0 0 0 0 0 0.7310 -13.4415 -1.4106 C 0 0 0 0 0 0 0 0 0 1.4737 -19.7594 1.7787 C 0 0 0 0 0 0 0 0 0 -0.0888 -20.0120 -0.1217 C 0 0 0 0 0 0 0 0 0 -1.8397 -10.3478 1.5468 C 0 0 0 0 0 0 0 0 0 -2.9424 -10.3074 1.0446 O 0 0 0 0 0 0 0 0 0 -1.6913 -10.1399 2.8738 N 0 0 0 0 0 0 0 0 0 -2.8422 -9.7351 3.6796 C 0 0 0 0 0 0 0 0 0 -0.3825 -10.3209 3.5006 C 0 0 0 0 0 0 0 0 0 -1.2824 -12.6125 0.1846 H 0 0 0 0 0 0 0 0 0 0.2430 -8.7013 1.0454 H 0 0 0 0 0 0 0 0 0 2.4298 -11.3464 -1.4784 H 0 0 0 0 0 0 0 0 0 2.2086 -9.1724 -0.3532 H 0 0 0 0 0 0 0 0 0 0.7224 -15.7920 -2.5219 H 0 0 0 0 0 0 0 0 0 0.8530 -18.2376 -2.3034 H 0 0 0 0 0 0 0 0 0 3.5135 -17.7989 1.0105 H 0 0 0 0 0 0 0 0 0 4.7169 -20.1584 -2.5528 H 0 0 0 0 0 0 0 0 0 4.1142 -18.6778 -2.0370 H 0 0 0 0 0 0 0 0 0 3.3168 -24.1123 -0.7667 H 0 0 0 0 0 0 0 0 0 2.0296 -24.2260 0.3068 H 0 0 0 0 0 0 0 0 0 0.7340 -13.2880 -2.4898 H 0 0 0 0 0 0 0 0 0 -0.1070 -14.0832 -1.1387 H 0 0 0 0 0 0 0 0 0 0.8626 -20.3524 2.4573 H 0 0 0 0 0 0 0 0 0 2.5168 -19.8128 2.0876 H 0 0 0 0 0 0 0 0 0 1.1407 -18.7222 1.8021 H 0 0 0 0 0 0 0 0 0 -0.7943 -20.6223 0.4401 H 0 0 0 0 0 0 0 0 0 -0.3136 -18.9578 0.0370 H 0 0 0 0 0 0 0 0 0 -0.1707 -20.2449 -1.1826 H 0 0 0 0 0 0 0 0 0 -3.7387 -9.7257 3.0599 H 0 0 0 0 0 0 0 0 0 -2.9773 -10.4389 4.5007 H 0 0 0 0 0 0 0 0 0 -2.6709 -8.7371 4.0829 H 0 0 0 0 0 0 0 0 0 -0.0476 -11.3483 3.3568 H 0 0 0 0 0 0 0 0 0 0.3369 -9.6393 3.0472 H 0 0 0 0 0 0 0 0 0 -0.4581 -10.1105 4.5668 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 20 1 0 0 0 0 2 19 2 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 19 1 0 0 0 0 4 18 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 31 1 0 0 0 0 7 26 1 0 0 0 0 7 9 2 0 0 0 0 8 23 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END > 139105 > K $$$$ 139109 1016 111283D 139109 35 36 0 2 V2000 0.7454 1.3435 0.5371 C 0 0 0 0 0 0 0 0 0 0.9879 2.0333 -0.6481 C 0 0 0 0 0 0 0 0 0 1.0390 -0.0095 0.6435 C 0 0 0 0 0 0 0 0 0 1.5915 -0.6881 -0.4336 C 0 0 0 0 0 0 0 0 0 1.5455 1.3411 -1.7184 C 0 0 0 0 0 0 0 0 0 1.8546 -0.0106 -1.6174 C 0 0 0 0 0 0 0 0 0 -2.0591 8.4072 1.4189 C 0 0 0 0 0 0 0 0 0 -1.0398 7.8065 0.6879 C 0 0 0 0 0 0 0 0 0 -2.1708 9.7906 1.4698 C 0 0 0 0 0 0 0 0 0 -0.1299 8.6107 0.0072 C 0 0 0 0 0 0 0 0 0 -1.2611 10.5884 0.7896 C 0 0 0 0 0 0 0 0 0 -0.2404 9.9949 0.0580 C 0 0 0 0 0 0 0 0 0 -1.3897 11.9373 0.8549 N 0 3 0 0 0 0 0 0 0 -0.5922 12.6950 0.2593 O 0 0 0 0 0 0 0 0 0 -2.4821 12.5051 1.6372 O 0 5 0 0 0 0 0 0 0 -0.9740 6.2999 0.6730 C 0 0 0 0 0 0 0 0 0 -0.1220 5.5914 -0.0826 C 0 0 0 0 0 0 0 0 0 -0.0971 4.0933 0.0087 C 0 0 0 0 0 0 0 0 0 -0.8070 3.5547 0.8227 O 0 0 0 0 0 0 0 0 0 0.7079 3.3627 -0.8117 N 0 0 0 0 0 0 0 0 0 2.4681 -0.7343 -2.7820 C 0 0 0 0 0 0 0 0 0 0.3389 1.8354 1.3691 H 0 0 0 0 0 0 0 0 0 0.8430 -0.5196 1.5407 H 0 0 0 0 0 0 0 0 0 1.8099 -1.7123 -0.3484 H 0 0 0 0 0 0 0 0 0 1.7357 1.8476 -2.6183 H 0 0 0 0 0 0 0 0 0 -2.7544 7.8147 1.9392 H 0 0 0 0 0 0 0 0 0 -2.9438 10.2404 2.0227 H 0 0 0 0 0 0 0 0 0 0.6502 8.1842 -0.5506 H 0 0 0 0 0 0 0 0 0 0.4501 10.5943 -0.4585 H 0 0 0 0 0 0 0 0 0 -1.6390 5.7719 1.2940 H 0 0 0 0 0 0 0 0 0 0.5369 6.0661 -0.7448 H 0 0 0 0 0 0 0 0 0 1.1066 3.8226 -1.5659 H 0 0 0 0 0 0 0 0 0 1.6882 -1.0284 -3.4693 H 0 0 0 0 0 0 0 0 0 3.1677 -0.0887 -3.2926 H 0 0 0 0 0 0 0 0 0 2.9923 -1.6169 -2.4447 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 22 1 0 0 0 0 2 20 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 6 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 16 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M CHG 2 13 1 15 -1 M END > 139109 > K $$$$ 140377 1016 111283D 140377 49 50 1 1 V2000 0.4459 9.2668 -2.6694 C 0 0 0 0 0 0 0 0 0 -2.0711 2.1900 -3.0347 C 0 0 0 0 0 0 0 0 0 -0.6394 4.7457 -2.5303 O 0 0 0 0 0 0 0 0 0 -0.0268 3.5332 -2.4393 C 0 0 0 0 0 0 0 0 0 1.1338 3.4575 -2.1118 O 0 0 0 0 0 0 0 0 0 1.0521 5.6928 -4.5530 C 0 0 0 0 0 0 0 0 0 1.2844 6.0408 -3.2316 C 0 0 0 0 0 0 0 0 0 2.5103 6.5749 -2.8566 C 0 0 0 0 0 0 0 0 0 2.0353 5.8735 -5.5123 C 0 0 0 0 0 0 0 0 0 3.2695 6.4125 -5.1458 C 0 0 0 0 0 0 0 0 0 3.5072 6.7659 -3.8157 C 0 0 0 0 0 0 0 0 0 4.8532 7.3516 -3.4513 C 0 0 0 0 0 0 0 0 0 4.3663 6.6255 -6.1635 C 0 0 0 0 0 0 0 0 0 5.1329 7.6880 -2.3267 O 0 0 0 0 0 0 0 0 0 4.2316 6.3453 -7.3294 O 0 0 0 0 0 0 0 0 0 5.9162 7.5429 -4.4888 C 0 0 0 0 0 0 0 0 0 5.6879 7.2023 -5.7610 C 0 0 0 0 0 0 0 0 0 1.2426 10.4327 -2.1545 C 0 0 0 0 0 0 0 0 0 -2.6620 0.8485 -3.3730 C 0 0 0 0 0 0 0 0 0 0.0728 9.2198 -4.1273 C 0 0 0 0 0 0 0 0 0 0.0953 8.3043 -1.8008 C 0 0 0 0 0 0 0 0 0 -2.9548 3.4081 -3.0338 C 0 0 0 0 0 0 0 0 0 -0.6982 7.0787 -2.1736 C 0 0 0 0 0 0 0 0 0 -0.7623 2.2595 -2.7421 C 0 0 0 0 0 0 0 0 0 0.1983 5.8404 -2.2050 C 0 0 1 0 0 0 0 0 0 2.6176 6.8706 -1.5316 O 0 0 0 0 0 0 0 0 0 1.6669 5.4858 -6.7628 O 0 0 0 0 0 0 0 0 0 0.1255 5.2875 -4.8365 H 0 0 0 0 0 0 0 0 0 6.8439 7.9476 -4.2086 H 0 0 0 0 0 0 0 0 0 6.4347 7.3376 -6.4870 H 0 0 0 0 0 0 0 0 0 1.5323 11.0889 -2.9619 H 0 0 0 0 0 0 0 0 0 0.6432 10.9916 -1.4501 H 0 0 0 0 0 0 0 0 0 2.1332 10.0753 -1.6584 H 0 0 0 0 0 0 0 0 0 -3.7358 0.9129 -3.4719 H 0 0 0 0 0 0 0 0 0 -2.2476 0.5034 -4.3094 H 0 0 0 0 0 0 0 0 0 -2.4271 0.1340 -2.5971 H 0 0 0 0 0 0 0 0 0 0.3642 10.1337 -4.6238 H 0 0 0 0 0 0 0 0 0 0.5791 8.3954 -4.6056 H 0 0 0 0 0 0 0 0 0 -0.9949 9.1002 -4.2370 H 0 0 0 0 0 0 0 0 0 0.3924 8.4021 -0.7972 H 0 0 0 0 0 0 0 0 0 -2.8916 3.9033 -2.0754 H 0 0 0 0 0 0 0 0 0 -2.6392 4.0886 -3.8107 H 0 0 0 0 0 0 0 0 0 -3.9847 3.1326 -3.2085 H 0 0 0 0 0 0 0 0 0 -1.4678 6.9259 -1.4313 H 0 0 0 0 0 0 0 0 0 -1.1814 7.1855 -3.1329 H 0 0 0 0 0 0 0 0 0 -0.2029 1.3718 -2.7197 H 0 0 0 0 0 0 0 0 0 0.6327 5.7040 -1.2222 H 0 0 0 0 0 0 0 0 0 3.4581 7.2339 -1.2918 H 0 0 0 0 0 0 0 0 0 2.3319 5.6473 -7.4178 H 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 1 21 2 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 2 24 2 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 6 9 2 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 25 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 8 11 1 0 0 0 0 9 27 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 6 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M END > 140377 > K $$$$ 140911 1016 111283D 140911 29 30 0 1 V2000 -1.9962 10.4418 -0.9045 C 0 0 0 0 0 0 0 0 0 -1.6374 9.8367 -2.1028 C 0 0 0 0 0 0 0 0 0 -1.6943 11.7765 -0.6658 C 0 0 0 0 0 0 0 0 0 -1.0395 12.5140 -1.6076 C 0 0 0 0 0 0 0 0 0 -0.9816 10.5471 -3.0640 C 0 0 0 0 0 0 0 0 0 -0.6665 11.9111 -2.8358 C 0 0 0 0 0 0 0 0 0 -1.0902 6.4286 -4.2913 C 0 0 0 0 0 0 0 0 0 -0.1042 5.8281 -5.0637 C 0 0 0 0 0 0 0 0 0 -0.7623 7.3948 -3.3481 C 0 0 0 0 0 0 0 0 0 0.5365 7.7680 -3.1671 C 0 0 0 0 0 0 0 0 0 1.2040 6.1797 -4.9064 C 0 0 0 0 0 0 0 0 0 1.5551 7.1642 -3.9479 C 0 0 0 0 0 0 0 0 0 2.8219 7.5167 -3.7838 N 0 0 0 0 0 0 0 0 0 3.1017 8.6154 -3.2578 C 0 0 0 0 0 0 0 0 0 3.4497 9.9811 -2.6039 S 0 0 0 0 0 0 0 0 0 -2.0318 8.1421 -2.3812 S 0 0 0 0 0 0 0 0 0 -2.1356 7.4688 -1.1341 O 0 0 0 0 0 0 0 0 0 -3.2696 8.0512 -3.0731 O 0 0 0 0 0 0 0 0 0 -0.0303 12.6149 -3.7608 N 0 0 0 0 0 0 0 0 0 0.6198 12.0300 -4.6539 C 0 0 0 0 0 0 0 0 0 1.4279 11.3031 -5.7639 S 0 0 0 0 0 0 0 0 0 -2.5191 9.8695 -0.1526 H 0 0 0 0 0 0 0 0 0 -1.9802 12.2326 0.2706 H 0 0 0 0 0 0 0 0 0 -0.8066 13.5516 -1.4193 H 0 0 0 0 0 0 0 0 0 -0.7035 10.0739 -3.9942 H 0 0 0 0 0 0 0 0 0 -2.1233 6.1447 -4.4285 H 0 0 0 0 0 0 0 0 0 -0.3750 5.0784 -5.7925 H 0 0 0 0 0 0 0 0 0 0.7883 8.5195 -2.4334 H 0 0 0 0 0 0 0 0 0 1.9685 5.7108 -5.5082 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 22 1 0 0 0 0 2 16 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 6 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 16 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 2 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 19 20 2 0 0 0 0 20 21 2 0 0 0 0 M END > 140911 > K $$$$ 141539 1016 111283D 141539 47 49 1 1 V2000 0.3275 -4.4569 3.2053 O 0 0 0 0 0 0 0 0 0 0.9181 -1.0836 -1.2763 O 0 0 0 0 0 0 0 0 0 2.3504 0.4281 2.0760 O 0 0 0 0 0 0 0 0 0 2.8075 -1.7574 3.1613 C 0 0 0 0 0 0 0 0 0 1.9180 -0.8957 2.2732 C 0 0 1 0 0 0 0 0 0 1.9780 -2.9065 3.7408 C 0 0 0 0 0 0 0 0 0 0.8790 -3.4390 2.8574 C 0 0 0 0 0 0 0 0 0 1.2193 0.3016 2.9083 C 0 0 0 0 0 0 0 0 0 1.3573 -1.6506 1.0656 C 0 0 1 0 0 0 0 0 0 0.4239 -2.7605 1.5856 C 0 0 1 0 0 0 0 0 0 0.6219 -0.7421 0.0568 C 0 0 1 0 0 0 0 0 0 1.3492 0.2035 -0.9014 C 0 0 1 0 0 0 0 0 0 0.2644 -3.6422 0.4826 O 0 0 0 0 0 0 0 0 0 -0.9500 -4.3613 0.4135 C 0 0 0 0 0 0 0 0 0 -0.8780 -0.4755 0.2048 C 0 0 0 0 0 0 0 0 0 2.4915 -2.2644 0.4787 O 0 0 0 0 0 0 0 0 0 2.8660 0.3414 -1.0034 C 0 0 0 0 0 0 0 0 0 3.2330 1.8189 -1.1731 C 0 0 0 0 0 0 0 0 0 4.7458 2.0654 -1.2062 C 0 0 0 0 0 0 0 0 0 5.4209 1.3965 -2.4067 C 0 0 0 0 0 0 0 0 0 5.0374 3.5678 -1.2325 C 0 0 0 0 0 0 0 0 0 3.6033 -2.1607 2.5504 H 0 0 0 0 0 0 0 0 0 3.2520 -1.1756 3.9563 H 0 0 0 0 0 0 0 0 0 2.6434 -3.7178 4.0023 H 0 0 0 0 0 0 0 0 0 1.5019 -2.5603 4.6454 H 0 0 0 0 0 0 0 0 0 1.4491 0.5478 3.9347 H 0 0 0 0 0 0 0 0 0 0.3534 0.7457 2.4440 H 0 0 0 0 0 0 0 0 0 -0.5214 -2.3247 1.8688 H 0 0 0 0 0 0 0 0 0 0.7589 0.9430 -1.4215 H 0 0 0 0 0 0 0 0 0 -0.9896 -4.8566 -0.5466 H 0 0 0 0 0 0 0 0 0 -0.9899 -5.1099 1.1909 H 0 0 0 0 0 0 0 0 0 -1.8057 -3.7059 0.4889 H 0 0 0 0 0 0 0 0 0 -1.2209 0.2131 -0.5524 H 0 0 0 0 0 0 0 0 0 -1.4190 -1.4020 0.0848 H 0 0 0 0 0 0 0 0 0 -1.0892 -0.0627 1.1787 H 0 0 0 0 0 0 0 0 0 2.2103 -2.7587 -0.2897 H 0 0 0 0 0 0 0 0 0 3.3446 -0.0602 -0.1230 H 0 0 0 0 0 0 0 0 0 3.1958 -0.2139 -1.8694 H 0 0 0 0 0 0 0 0 0 2.7867 2.1982 -2.0823 H 0 0 0 0 0 0 0 0 0 2.8188 2.3613 -0.3348 H 0 0 0 0 0 0 0 0 0 5.1721 1.6610 -0.2985 H 0 0 0 0 0 0 0 0 0 5.2724 0.3275 -2.3740 H 0 0 0 0 0 0 0 0 0 5.0109 1.7827 -3.3290 H 0 0 0 0 0 0 0 0 0 6.4828 1.5943 -2.3835 H 0 0 0 0 0 0 0 0 0 6.1025 3.7323 -1.1553 H 0 0 0 0 0 0 0 0 0 4.6790 4.0055 -2.1533 H 0 0 0 0 0 0 0 0 0 4.5518 4.0535 -0.3985 H 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 9 1 0 0 0 0 5 8 1 1 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 16 1 6 0 0 0 9 11 1 1 0 0 0 9 10 1 0 0 0 0 10 13 1 6 0 0 0 10 28 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 12 17 1 6 0 0 0 12 29 1 1 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 M END > 141539 > K $$$$ 142982 1016 111283D 142982 49 51 0 1 V2000 1.7963 -7.3568 2.9061 O 0 0 0 0 0 0 0 0 0 -2.3651 -6.7450 3.1475 S 0 0 0 0 0 0 0 0 0 0.5829 -7.5049 0.5116 C 0 0 0 0 0 0 0 0 0 -0.1223 -7.2618 1.7117 C 0 0 0 0 0 0 0 0 0 -0.0939 -7.5203 -0.6945 C 0 0 0 0 0 0 0 0 0 0.5857 -7.2415 2.9799 C 0 0 0 0 0 0 0 0 0 0.0503 -7.1026 4.3278 C 0 0 0 0 0 0 0 0 0 0.9042 -7.2082 5.4387 C 0 0 0 0 0 0 0 0 0 0.4073 -7.0734 6.7014 C 0 0 0 0 0 0 0 0 0 -1.4597 -7.3012 -0.7525 C 0 0 0 0 0 0 0 0 0 -1.5134 -7.0424 1.6186 C 0 0 0 0 0 0 0 0 0 -1.3166 -6.8601 4.5751 C 0 0 0 0 0 0 0 0 0 -0.9402 -6.8286 6.9261 C 0 0 0 0 0 0 0 0 0 -2.1728 -7.0610 0.4089 C 0 0 0 0 0 0 0 0 0 -1.8087 -6.7219 5.8563 C 0 0 0 0 0 0 0 0 0 1.9539 -7.7283 0.5433 N 0 0 0 0 0 0 0 0 0 -3.6596 -6.8213 0.3510 C 0 0 0 0 0 0 0 0 0 2.8619 -6.8099 -0.1484 C 0 0 0 0 0 0 0 0 0 -4.3480 -7.9835 0.8169 O 0 0 0 0 0 0 0 0 0 2.8364 -5.4473 0.5472 C 0 0 0 0 0 0 0 0 0 3.5721 -4.4691 -0.2651 N 0 0 0 0 0 0 0 0 0 3.1283 -3.1386 0.1718 C 0 0 0 0 0 0 0 0 0 1.8741 -2.7380 -0.6076 C 0 0 0 0 0 0 0 0 0 4.9871 -4.5868 0.1114 C 0 0 0 0 0 0 0 0 0 5.8597 -3.9764 -0.9873 C 0 0 0 0 0 0 0 0 0 0.4528 -7.7064 -1.6072 H 0 0 0 0 0 0 0 0 0 1.9574 -7.3971 5.2919 H 0 0 0 0 0 0 0 0 0 1.0768 -7.1584 7.5447 H 0 0 0 0 0 0 0 0 0 -1.9689 -7.3173 -1.7047 H 0 0 0 0 0 0 0 0 0 -1.3098 -6.7229 7.9354 H 0 0 0 0 0 0 0 0 0 -2.8591 -6.5323 6.0214 H 0 0 0 0 0 0 0 0 0 2.3100 -8.4922 1.0234 H 0 0 0 0 0 0 0 0 0 -3.9152 -5.9701 0.9821 H 0 0 0 0 0 0 0 0 0 -3.9541 -6.6123 -0.6775 H 0 0 0 0 0 0 0 0 0 3.8746 -7.2121 -0.1226 H 0 0 0 0 0 0 0 0 0 2.5428 -6.6950 -1.1843 H 0 0 0 0 0 0 0 0 0 -5.2936 -7.7885 0.7635 H 0 0 0 0 0 0 0 0 0 1.8039 -5.1187 0.6648 H 0 0 0 0 0 0 0 0 0 3.3050 -5.5311 1.5278 H 0 0 0 0 0 0 0 0 0 2.9013 -3.1632 1.2377 H 0 0 0 0 0 0 0 0 0 3.9194 -2.4123 -0.0145 H 0 0 0 0 0 0 0 0 0 1.0822 -3.4628 -0.4194 H 0 0 0 0 0 0 0 0 0 1.5463 -1.7497 -0.2853 H 0 0 0 0 0 0 0 0 0 2.1005 -2.7158 -1.6736 H 0 0 0 0 0 0 0 0 0 5.1592 -4.0570 1.0483 H 0 0 0 0 0 0 0 0 0 5.2435 -5.6388 0.2365 H 0 0 0 0 0 0 0 0 0 5.6139 -4.4369 -1.9442 H 0 0 0 0 0 0 0 0 0 5.6763 -2.9033 -1.0427 H 0 0 0 0 0 0 0 0 0 6.9103 -4.1542 -0.7577 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 4 11 2 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 10 14 2 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END > 142982 > K $$$$ 143648 1016 111283D 143648 37 39 1 1 V2000 1.9847 1.8539 -3.0462 N 0 0 0 0 0 0 0 0 0 3.8239 0.4050 -3.0167 N 0 0 0 0 0 0 0 0 0 5.5613 -1.6747 -1.5167 O 0 0 0 0 0 0 0 0 0 3.3496 -1.8099 -2.1874 N 0 0 0 0 0 0 0 0 0 1.1730 -1.5362 -1.7518 C 0 0 0 0 0 0 0 0 0 1.6727 -0.3449 -2.2626 C 0 0 0 0 0 0 0 0 0 2.2422 -2.4186 -1.7232 C 0 0 0 0 0 0 0 0 0 1.1478 0.9113 -2.5512 C 0 0 0 0 0 0 0 0 0 3.0170 -0.5511 -2.5152 C 0 0 0 0 0 0 0 0 0 3.2986 1.6223 -3.2773 C 0 0 0 0 0 0 0 0 0 4.6476 -2.4102 -2.3047 C 0 0 1 0 0 0 0 0 0 5.2006 -2.4191 -3.7276 C 0 0 1 0 0 0 0 0 0 6.6661 -2.6535 -3.3815 C 0 0 1 0 0 0 0 0 0 6.8189 -1.7414 -2.1620 C 0 0 1 0 0 0 0 0 0 -0.1374 1.3095 -2.3903 N 0 0 0 0 0 0 0 0 0 8.4172 -0.3819 -3.3229 O 0 0 0 0 0 0 0 0 0 6.8658 -4.0065 -3.0202 O 0 0 0 0 0 0 0 0 0 7.2397 -0.3246 -2.5458 C 0 0 0 0 0 0 0 0 0 -0.2135 -1.9094 -1.2924 C 0 0 0 0 0 0 0 0 0 -1.1158 -1.1125 -1.2553 O 0 0 0 0 0 0 0 0 0 4.6085 -3.4083 -4.5482 O 0 0 0 0 0 0 0 0 0 -0.5306 -3.1646 -0.8917 N 0 0 0 0 0 0 0 0 0 2.2022 -3.4142 -1.3900 H 0 0 0 0 0 0 0 0 0 3.9075 2.3888 -3.6589 H 0 0 0 0 0 0 0 0 0 4.6240 -3.4346 -1.9538 H 0 0 0 0 0 0 0 0 0 5.0794 -1.4409 -4.1692 H 0 0 0 0 0 0 0 0 0 7.3191 -2.3767 -4.1980 H 0 0 0 0 0 0 0 0 0 7.5701 -2.1537 -1.5040 H 0 0 0 0 0 0 0 0 0 -0.3804 2.2200 -2.6193 H 0 0 0 0 0 0 0 0 0 -0.8214 0.7178 -2.0558 H 0 0 0 0 0 0 0 0 0 8.7051 0.5071 -3.5115 H 0 0 0 0 0 0 0 0 0 7.7922 -4.1562 -2.8593 H 0 0 0 0 0 0 0 0 0 6.4451 0.1488 -3.1048 H 0 0 0 0 0 0 0 0 0 7.4072 0.2385 -1.6382 H 0 0 0 0 0 0 0 0 0 5.1097 -3.4856 -5.3529 H 0 0 0 0 0 0 0 0 0 0.1228 -3.8783 -0.8898 H 0 0 0 0 0 0 0 0 0 -1.4382 -3.3442 -0.6018 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 2 0 0 0 0 2 10 1 0 0 0 0 2 9 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 9 1 0 0 0 0 4 7 1 0 0 0 0 5 19 1 0 0 0 0 5 7 2 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 6 8 2 0 0 0 0 7 23 1 0 0 0 0 8 15 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 1 0 0 0 12 21 1 1 0 0 0 12 13 1 6 0 0 0 12 26 1 0 0 0 0 13 17 1 1 0 0 0 13 14 1 6 0 0 0 13 27 1 0 0 0 0 14 18 1 6 0 0 0 14 28 1 1 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END > 143648 > K $$$$ 145150 1016 111283D 145150 35 37 1 1 V2000 -1.3361 -0.0806 -0.4855 O 0 0 0 0 0 0 0 0 0 -0.0543 1.7225 -0.4004 O 0 0 0 0 0 0 0 0 0 4.2643 -0.7514 -2.0840 C 0 0 0 0 0 0 0 0 0 3.3808 -0.5214 -1.1108 C 0 0 0 0 0 0 0 0 0 3.8325 -0.1833 -3.4018 C 0 0 1 0 0 0 0 0 0 2.3775 0.2335 -3.1206 C 0 0 1 0 0 0 0 0 0 2.1762 0.2276 -1.5925 C 0 0 1 0 0 0 0 0 0 0.8651 -0.4412 -1.2392 C 0 0 0 0 0 0 0 0 0 -0.2488 0.4056 -0.6838 C 0 0 0 0 0 0 0 0 0 2.0406 1.6451 -3.4863 C 0 0 0 0 0 0 0 0 0 2.2614 1.7024 -1.1491 C 0 0 1 0 0 0 0 0 0 1.9862 2.4436 -2.4197 C 0 0 0 0 0 0 0 0 0 1.2753 2.0277 -0.0269 C 0 0 0 0 0 0 0 0 0 0.6769 -1.7581 -1.4130 C 0 0 0 0 0 0 0 0 0 5.5524 -1.4960 -1.8860 C 0 0 0 0 0 0 0 0 0 1.6883 3.9113 -2.4897 C 0 0 0 0 0 0 0 0 0 1.4406 4.4463 -3.5789 O 0 0 0 0 0 0 0 0 0 1.6886 4.6610 -1.3618 O 0 0 0 0 0 0 0 0 0 4.7728 0.9532 -3.8135 C 0 0 0 0 0 0 0 0 0 3.5149 -0.8296 -0.1153 H 0 0 0 0 0 0 0 0 0 3.8455 -0.9498 -4.1641 H 0 0 0 0 0 0 0 0 0 1.7052 -0.4572 -3.6116 H 0 0 0 0 0 0 0 0 0 1.8699 1.9687 -4.4709 H 0 0 0 0 0 0 0 0 0 3.2628 1.9601 -0.8331 H 0 0 0 0 0 0 0 0 0 1.3339 3.0770 0.2227 H 0 0 0 0 0 0 0 0 0 1.5492 1.4674 0.8574 H 0 0 0 0 0 0 0 0 0 -0.2400 -2.1997 -1.1498 H 0 0 0 0 0 0 0 0 0 1.4414 -2.3584 -1.8113 H 0 0 0 0 0 0 0 0 0 5.6391 -1.8393 -0.8653 H 0 0 0 0 0 0 0 0 0 5.5782 -2.3491 -2.5481 H 0 0 0 0 0 0 0 0 0 6.3861 -0.8472 -2.1104 H 0 0 0 0 0 0 0 0 0 1.4226 5.5378 -1.6138 H 0 0 0 0 0 0 0 0 0 5.7699 0.5697 -3.9705 H 0 0 0 0 0 0 0 0 0 4.4248 1.3961 -4.7354 H 0 0 0 0 0 0 0 0 0 4.8025 1.7117 -3.0443 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 1 0 0 0 5 19 1 0 0 0 0 5 21 1 6 0 0 0 6 7 1 1 0 0 0 6 10 1 0 0 0 0 6 22 1 6 0 0 0 7 8 1 1 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 10 12 2 0 0 0 0 10 23 1 0 0 0 0 11 13 1 1 0 0 0 11 12 1 6 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 145150 > K $$$$ 145669 1016 111283D 145669 35 38 1 1 V2000 0.0116 0.1275 0.3516 H 0 0 0 0 0 0 0 0 0 -0.0065 1.0808 0.1640 N 0 0 0 0 0 0 0 0 0 -0.0370 4.5182 -1.8234 O 0 0 0 0 0 0 0 0 0 1.1547 2.8993 -0.9020 N 0 0 0 0 0 0 0 0 0 1.9516 3.2249 -1.3468 H 0 0 0 0 0 0 0 0 0 3.1704 1.2059 4.5343 C 0 0 0 0 0 0 0 0 0 3.6434 -0.0534 4.1970 C 0 0 0 0 0 0 0 0 0 2.4671 1.9614 3.6045 C 0 0 0 0 0 0 0 0 0 2.0060 3.2179 3.9765 C 0 0 0 0 0 0 0 0 0 1.3048 3.9939 3.0693 C 0 0 0 0 0 0 0 0 0 3.4087 -0.5589 2.9275 C 0 0 0 0 0 0 0 0 0 2.2291 1.4650 2.3208 C 0 0 0 0 0 0 0 0 0 1.0733 3.5067 1.7948 C 0 0 0 0 0 0 0 0 0 2.7034 0.1942 2.0002 C 0 0 0 0 0 0 0 0 0 1.5285 2.2499 1.4034 C 0 0 0 0 0 0 0 0 0 1.2370 1.7809 -0.0044 C 0 0 1 0 0 0 0 0 0 -2.3471 1.1569 0.6179 C 0 0 0 0 0 0 0 0 0 -1.2008 1.7310 0.0841 C 0 0 0 0 0 0 0 0 0 -3.5520 1.8469 0.5787 C 0 0 0 0 0 0 0 0 0 -1.2774 2.9748 -0.5306 C 0 0 0 0 0 0 0 0 0 -3.6168 3.1040 -0.0094 C 0 0 0 0 0 0 0 0 0 -0.0231 3.5260 -1.1354 C 0 0 0 0 0 0 0 0 0 -2.4802 3.6674 -0.5751 C 0 0 0 0 0 0 0 0 0 3.3473 1.5852 5.4975 H 0 0 0 0 0 0 0 0 0 4.1767 -0.6214 4.9003 H 0 0 0 0 0 0 0 0 0 2.1839 3.5880 4.9428 H 0 0 0 0 0 0 0 0 0 0.9502 4.9445 3.3419 H 0 0 0 0 0 0 0 0 0 3.7642 -1.5118 2.6665 H 0 0 0 0 0 0 0 0 0 0.5420 4.1205 1.1340 H 0 0 0 0 0 0 0 0 0 2.5419 -0.2277 1.0551 H 0 0 0 0 0 0 0 0 0 2.0064 1.1226 -0.3818 H 0 0 0 0 0 0 0 0 0 -2.3001 0.2026 1.0538 H 0 0 0 0 0 0 0 0 0 -4.4144 1.4166 0.9960 H 0 0 0 0 0 0 0 0 0 -4.5259 3.6293 -0.0267 H 0 0 0 0 0 0 0 0 0 -2.5275 4.6123 -1.0324 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 22 2 0 0 0 0 4 22 1 0 0 0 0 4 16 1 0 0 0 0 4 5 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 0 0 0 0 8 12 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 31 1 6 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 M END > 145669 > K $$$$ 146268 1016 111283D 146268 28 29 1 1 V2000 0.9012 -2.5625 -0.9677 S 0 0 0 0 0 0 0 0 0 1.3772 0.3510 -0.4656 O 0 0 0 0 0 0 0 0 0 5.1202 -3.5989 -2.8544 O 0 0 0 0 0 0 0 0 0 3.0634 -1.2194 -0.5655 N 0 0 0 0 0 0 0 0 0 4.2982 -0.9706 -0.7643 N 0 0 0 0 0 0 0 0 0 4.4588 -2.8686 -2.1568 C 0 0 0 0 0 0 0 0 0 5.0530 -1.6749 -1.4779 C 0 0 0 0 0 0 0 0 0 2.4250 -2.2776 -1.1670 C 0 0 0 0 0 0 0 0 0 2.3180 -0.3595 0.3181 C 0 0 1 0 0 0 0 0 0 3.1312 0.6871 1.0799 C 0 0 1 0 0 0 0 0 0 1.9887 1.6315 1.4317 C 0 0 1 0 0 0 0 0 0 1.1971 1.6243 0.1258 C 0 0 1 0 0 0 0 0 0 1.7198 3.9437 -0.2069 O 0 0 0 0 0 0 0 0 0 1.1726 1.0955 2.4549 O 0 0 0 0 0 0 0 0 0 1.6818 2.6900 -0.8555 C 0 0 0 0 0 0 0 0 0 3.1424 -3.1115 -1.9662 N 0 0 0 0 0 0 0 0 0 3.7958 0.1762 2.2206 O 0 0 0 0 0 0 0 0 0 6.0676 -1.4406 -1.5993 H 0 0 0 0 0 0 0 0 0 1.7975 -0.9561 1.0568 H 0 0 0 0 0 0 0 0 0 3.8223 1.1669 0.4013 H 0 0 0 0 0 0 0 0 0 2.3367 2.6190 1.7018 H 0 0 0 0 0 0 0 0 0 0.1567 1.8095 0.3513 H 0 0 0 0 0 0 0 0 0 1.9202 4.6198 -0.8479 H 0 0 0 0 0 0 0 0 0 1.6982 0.9688 3.2396 H 0 0 0 0 0 0 0 0 0 2.6678 2.4280 -1.2124 H 0 0 0 0 0 0 0 0 0 1.0041 2.7128 -1.6975 H 0 0 0 0 0 0 0 0 0 2.7286 -3.8727 -2.3990 H 0 0 0 0 0 0 0 0 0 4.3229 0.8660 2.6102 H 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 6 16 1 0 0 0 0 6 7 1 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 6 0 0 0 9 19 1 1 0 0 0 10 17 1 0 0 0 0 10 11 1 1 0 0 0 10 20 1 6 0 0 0 11 14 1 1 0 0 0 11 12 1 0 0 0 0 11 21 1 6 0 0 0 12 15 1 6 0 0 0 12 22 1 1 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END > 146268 > K $$$$ 146397 1016 111283D 146397 44 48 0 2 V2000 0.5977 -4.2521 -8.6849 O 0 0 0 0 0 0 0 0 0 -0.4486 -6.3641 -8.6434 O 0 0 0 0 0 0 0 0 0 -0.5545 -7.9995 -3.5564 N 0 3 0 0 0 0 0 0 0 0.2711 -8.9646 -0.1324 C 0 0 0 0 0 0 0 0 0 1.0081 -8.5423 0.9614 C 0 0 0 0 0 0 0 0 0 0.2586 -8.2298 -1.3125 C 0 0 0 0 0 0 0 0 0 -0.5185 -8.6668 -2.3685 C 0 0 0 0 0 0 0 0 0 1.7424 -7.3648 0.8475 C 0 0 0 0 0 0 0 0 0 1.0032 -7.0655 -1.4603 C 0 0 0 0 0 0 0 0 0 1.7432 -6.6561 -0.3481 C 0 0 0 0 0 0 0 0 0 0.9724 -6.3870 -2.6853 C 0 0 0 0 0 0 0 0 0 0.2611 -6.8960 -3.7889 C 0 0 0 0 0 0 0 0 0 0.4170 -6.2596 -5.0396 C 0 0 0 0 0 0 0 0 0 -0.0599 -6.7603 -6.2574 C 0 0 0 0 0 0 0 0 0 0.0251 -6.0242 -7.4277 C 0 0 0 0 0 0 0 0 0 1.6622 -5.1825 -2.8062 C 0 0 0 0 0 0 0 0 0 1.0974 -5.0352 -5.1219 C 0 0 0 0 0 0 0 0 0 0.6402 -4.8006 -7.4544 C 0 0 0 0 0 0 0 0 0 1.7110 -4.4992 -4.0046 C 0 0 0 0 0 0 0 0 0 1.2024 -4.2945 -6.2978 C 0 0 0 0 0 0 0 0 0 -0.1592 -5.2060 -9.4214 C 0 0 0 0 0 0 0 0 0 -1.5179 -8.5699 -4.4847 C 0 0 0 0 0 0 0 0 0 2.4741 -6.8688 1.8806 O 0 0 0 0 0 0 0 0 0 1.8130 -5.8016 2.5353 C 0 0 0 0 0 0 0 0 0 0.9285 -9.3439 2.0623 O 0 0 0 0 0 0 0 0 0 2.0016 -9.3070 2.9862 C 0 0 0 0 0 0 0 0 0 -0.2784 -9.8560 -0.0453 H 0 0 0 0 0 0 0 0 0 -1.0903 -9.5409 -2.2212 H 0 0 0 0 0 0 0 0 0 2.3361 -5.7934 -0.3637 H 0 0 0 0 0 0 0 0 0 -0.4958 -7.6966 -6.3699 H 0 0 0 0 0 0 0 0 0 2.1680 -4.7432 -2.0012 H 0 0 0 0 0 0 0 0 0 2.2178 -3.5782 -4.0580 H 0 0 0 0 0 0 0 0 0 1.6951 -3.3664 -6.3249 H 0 0 0 0 0 0 0 0 0 -1.0900 -4.7472 -9.7297 H 0 0 0 0 0 0 0 0 0 0.3835 -5.4880 -10.3137 H 0 0 0 0 0 0 0 0 0 -2.2906 -9.1434 -3.9879 H 0 0 0 0 0 0 0 0 0 -2.0555 -7.7992 -5.0207 H 0 0 0 0 0 0 0 0 0 -1.0315 -9.2524 -5.1705 H 0 0 0 0 0 0 0 0 0 2.4241 -5.4665 3.3607 H 0 0 0 0 0 0 0 0 0 1.6563 -4.9664 1.8671 H 0 0 0 0 0 0 0 0 0 0.8597 -6.1287 2.9282 H 0 0 0 0 0 0 0 0 0 1.9163 -10.1641 3.6392 H 0 0 0 0 0 0 0 0 0 2.9622 -9.3589 2.4916 H 0 0 0 0 0 0 0 0 0 1.9539 -8.4147 3.5919 H 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 7 1 0 0 0 0 3 12 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 5 25 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 28 1 0 0 0 0 8 23 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 3 1 M END > 146397 > K $$$$ 146604 1016 111283D 146604 29 30 1 1 V2000 4.0478 0.9311 -1.6358 O 0 0 0 0 0 0 0 0 0 1.6033 0.5777 -0.6649 O 0 0 0 0 0 0 0 0 0 5.8461 -2.8575 -2.9675 O 0 0 0 0 0 0 0 0 0 3.3466 -0.9300 -0.6084 N 0 0 0 0 0 0 0 0 0 4.3490 -4.3433 -1.0426 F 0 0 0 0 0 0 0 0 0 5.0809 -2.2857 -2.2293 C 0 0 0 0 0 0 0 0 0 4.2661 -3.0219 -1.2040 C 0 0 0 0 0 0 0 0 0 3.4403 -2.2876 -0.4471 C 0 0 0 0 0 0 0 0 0 4.1104 -0.2688 -1.5257 C 0 0 0 0 0 0 0 0 0 2.4260 -0.1768 0.1995 C 0 0 1 0 0 0 0 0 0 3.0929 0.8114 1.1542 C 0 0 1 0 0 0 0 0 0 1.8971 1.7240 1.4010 C 0 0 1 0 0 0 0 0 0 1.2889 1.7881 -0.0023 C 0 0 1 0 0 0 0 0 0 1.5508 4.1625 -0.1495 O 0 0 0 0 0 0 0 0 0 0.9987 1.1099 2.3039 O 0 0 0 0 0 0 0 0 0 1.8350 2.9545 -0.8229 C 0 0 0 0 0 0 0 0 0 4.9596 -0.9420 -2.3344 N 0 0 0 0 0 0 0 0 0 3.6247 0.1721 2.2989 O 0 0 0 0 0 0 0 0 0 2.8582 -2.7750 0.2807 H 0 0 0 0 0 0 0 0 0 1.7933 -0.8245 0.7946 H 0 0 0 0 0 0 0 0 0 3.8666 1.3593 0.6363 H 0 0 0 0 0 0 0 0 0 2.2052 2.6933 1.7693 H 0 0 0 0 0 0 0 0 0 0.2187 1.9093 0.0813 H 0 0 0 0 0 0 0 0 0 1.8145 4.8921 -0.7038 H 0 0 0 0 0 0 0 0 0 0.2924 1.7169 2.5041 H 0 0 0 0 0 0 0 0 0 2.9018 2.8441 -0.9550 H 0 0 0 0 0 0 0 0 0 1.3616 2.9372 -1.7947 H 0 0 0 0 0 0 0 0 0 5.4820 -0.4605 -2.9909 H 0 0 0 0 0 0 0 0 0 3.8311 0.8285 2.9563 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 6 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 6 17 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 19 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 6 0 0 0 10 20 1 1 0 0 0 11 18 1 0 0 0 0 11 12 1 1 0 0 0 11 21 1 6 0 0 0 12 15 1 1 0 0 0 12 13 1 0 0 0 0 12 22 1 6 0 0 0 13 16 1 6 0 0 0 13 23 1 1 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > 146604 > K $$$$ 147340 1016 111283D 147340 38 39 1 1 V2000 2.9893 3.2855 2.8823 N 0 0 0 0 0 0 0 0 0 3.9733 3.1687 2.7370 H 0 0 0 0 0 0 0 0 0 0.8988 4.1011 2.1872 C 0 0 2 0 0 0 0 0 0 2.2643 3.6418 1.6725 C 0 0 2 0 0 0 0 0 0 1.1955 4.6569 3.5801 C 0 0 1 0 0 0 0 0 0 2.6762 4.3624 3.8074 C 0 0 0 0 0 0 0 0 0 1.5489 3.7756 -1.3512 C 0 0 0 0 0 0 0 0 0 1.2637 2.7524 -0.4549 C 0 0 0 0 0 0 0 0 0 0.6891 4.0395 -2.4095 C 0 0 0 0 0 0 0 0 0 0.1120 1.9947 -0.6297 C 0 0 0 0 0 0 0 0 0 -0.4657 3.2820 -2.5887 C 0 0 0 0 0 0 0 0 0 -0.7432 2.2600 -1.6910 C 0 0 0 0 0 0 0 0 0 -1.3719 3.4610 -3.5940 O 0 0 0 0 0 0 0 0 0 -1.1514 4.5072 -4.5192 C 0 0 0 0 0 0 0 0 0 2.1885 2.4652 0.6978 C 0 0 0 0 0 0 0 0 0 0.0140 2.9948 2.2319 O 0 0 0 0 0 0 0 0 0 -1.2882 3.3597 2.3677 C 0 0 0 0 0 0 0 0 0 -1.5909 4.4861 2.6807 O 0 0 0 0 0 0 0 0 0 -2.3630 2.3518 2.1217 C 0 0 0 0 0 0 0 0 0 0.9681 6.0495 3.6451 O 0 0 0 0 0 0 0 0 0 0.5138 4.8756 1.5380 H 0 0 0 0 0 0 0 0 0 2.7563 4.4777 1.1923 H 0 0 0 0 0 0 0 0 0 0.5864 4.1128 4.2885 H 0 0 0 0 0 0 0 0 0 2.8706 4.0895 4.8344 H 0 0 0 0 0 0 0 0 0 3.2487 5.2432 3.5496 H 0 0 0 0 0 0 0 0 0 2.4175 4.3542 -1.2313 H 0 0 0 0 0 0 0 0 0 0.9230 4.8174 -3.0727 H 0 0 0 0 0 0 0 0 0 -0.1159 1.2179 0.0399 H 0 0 0 0 0 0 0 0 0 -1.6113 1.6846 -1.8218 H 0 0 0 0 0 0 0 0 0 -1.9659 4.5175 -5.2285 H 0 0 0 0 0 0 0 0 0 -1.1246 5.4627 -4.0145 H 0 0 0 0 0 0 0 0 0 -0.2282 4.3481 -5.0583 H 0 0 0 0 0 0 0 0 0 3.1782 2.2516 0.3202 H 0 0 0 0 0 0 0 0 0 1.8400 1.5967 1.2388 H 0 0 0 0 0 0 0 0 0 -2.0936 1.4126 2.5807 H 0 0 0 0 0 0 0 0 0 -3.2947 2.7101 2.5332 H 0 0 0 0 0 0 0 0 0 -2.4660 2.2202 1.0554 H 0 0 0 0 0 0 0 0 0 0.9443 6.3134 4.5588 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 3 16 1 1 0 0 0 3 5 1 0 0 0 0 3 4 1 6 0 0 0 3 21 1 0 0 0 0 4 15 1 1 0 0 0 4 22 1 6 0 0 0 5 20 1 0 0 0 0 5 6 1 6 0 0 0 5 23 1 1 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 15 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END > 147340 > K $$$$ 148958 1016 111283D 148958 23 24 1 1 V2000 0.1961 1.5431 -0.4130 O 0 0 0 0 0 0 0 0 0 -0.5581 -0.0071 0.6640 H 0 0 0 0 0 0 0 0 0 -0.5765 -0.4472 -1.3735 N 0 0 0 0 0 0 0 0 0 -1.3964 -2.0873 -0.1057 O 0 0 0 0 0 0 0 0 0 -0.8593 0.1572 -4.8939 F 0 0 0 0 0 0 0 0 0 -2.3992 -2.1940 -4.3943 O 0 0 0 0 0 0 0 0 0 -1.3019 -1.5876 -1.1995 C 0 0 0 0 0 0 0 0 0 0.0401 0.1528 -0.2257 C 0 0 1 0 0 0 0 0 0 1.4492 -0.3822 -0.0035 C 0 0 0 0 0 0 0 0 0 2.0092 0.7293 0.8664 C 0 0 0 0 0 0 0 0 0 1.4253 1.9475 0.1598 C 0 0 0 0 0 0 0 0 0 -1.8255 -1.6467 -3.4838 C 0 0 0 0 0 0 0 0 0 -1.0076 -0.4026 -3.6922 C 0 0 0 0 0 0 0 0 0 -0.4268 0.1277 -2.6076 C 0 0 0 0 0 0 0 0 0 -1.9271 -2.1772 -2.2427 N 0 0 0 0 0 0 0 0 0 1.4550 -1.3444 0.4876 H 0 0 0 0 0 0 0 0 0 1.9825 -0.4295 -0.9424 H 0 0 0 0 0 0 0 0 0 1.6099 0.6529 1.8682 H 0 0 0 0 0 0 0 0 0 3.0895 0.7391 0.8894 H 0 0 0 0 0 0 0 0 0 2.0865 2.2627 -0.6354 H 0 0 0 0 0 0 0 0 0 1.2870 2.7650 0.8535 H 0 0 0 0 0 0 0 0 0 0.1508 1.0001 -2.7149 H 0 0 0 0 0 0 0 0 0 -2.4480 -2.9799 -2.1005 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 7 2 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 M END > 148958 > K $$$$ 154020 1016 111283D 154020 39 42 1 1 V2000 10.5694 4.9608 -5.0226 N 0 0 0 0 0 0 0 0 0 10.0174 3.9108 -5.9690 N 0 0 0 0 0 0 0 0 0 7.8945 2.0041 0.0099 O 0 0 0 0 0 0 0 0 0 8.8318 1.7738 -6.1506 N 0 0 0 0 0 0 0 0 0 8.8146 2.0017 -2.1102 N 0 0 0 0 0 0 0 0 0 8.1549 0.7044 -4.1292 N 0 0 0 0 0 0 0 0 0 8.2288 0.7381 -5.4921 C 0 0 0 0 0 0 0 0 0 9.3839 2.8089 -5.4684 C 0 0 0 0 0 0 0 0 0 9.3015 2.7521 -4.0990 C 0 0 0 0 0 0 0 0 0 8.7013 1.7204 -3.4277 C 0 0 0 0 0 0 0 0 0 9.7858 3.6790 -3.2179 C 0 0 0 0 0 0 0 0 0 10.4801 4.8865 -3.7688 C 0 0 0 0 0 0 0 0 0 9.4665 3.1907 -1.9608 C 0 0 0 0 0 0 0 0 0 8.3273 1.1754 -1.0464 C 0 0 1 0 0 0 0 0 0 9.4397 0.3410 -0.4218 C 0 0 1 0 0 0 0 0 0 8.8434 0.0278 0.9485 C 0 0 1 0 0 0 0 0 0 7.8434 1.1706 1.1503 C 0 0 1 0 0 0 0 0 0 10.9931 5.8604 -2.9761 N 0 0 0 0 0 0 0 0 0 8.1459 1.1284 3.5191 O 0 0 0 0 0 0 0 0 0 10.1674 4.0872 -7.3829 C 0 0 0 0 0 0 0 0 0 8.1819 -1.2207 0.9639 O 0 0 0 0 0 0 0 0 0 8.1360 1.9905 2.4013 C 0 0 0 0 0 0 0 0 0 9.7934 -0.7855 -1.2009 O 0 0 0 0 0 0 0 0 0 7.8122 -0.0507 -6.0476 H 0 0 0 0 0 0 0 0 0 9.6899 3.6604 -1.0479 H 0 0 0 0 0 0 0 0 0 7.5312 0.5233 -1.3857 H 0 0 0 0 0 0 0 0 0 10.2978 0.9845 -0.2893 H 0 0 0 0 0 0 0 0 0 9.6342 0.0335 1.6865 H 0 0 0 0 0 0 0 0 0 6.8517 0.7494 1.2430 H 0 0 0 0 0 0 0 0 0 11.4361 6.6227 -3.3805 H 0 0 0 0 0 0 0 0 0 10.9208 5.8014 -2.0114 H 0 0 0 0 0 0 0 0 0 8.2285 1.6514 4.3113 H 0 0 0 0 0 0 0 0 0 10.6872 5.0134 -7.5800 H 0 0 0 0 0 0 0 0 0 10.7373 3.2672 -7.7951 H 0 0 0 0 0 0 0 0 0 9.1948 4.1210 -7.8522 H 0 0 0 0 0 0 0 0 0 7.8990 -1.4068 1.8551 H 0 0 0 0 0 0 0 0 0 9.0950 2.4777 2.2933 H 0 0 0 0 0 0 0 0 0 7.3676 2.7442 2.5015 H 0 0 0 0 0 0 0 0 0 10.2872 -1.3950 -0.6630 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 2 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 14 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 7 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 18 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 6 0 0 0 14 26 1 0 0 0 0 15 23 1 6 0 0 0 15 16 1 1 0 0 0 15 27 1 0 0 0 0 16 21 1 6 0 0 0 16 17 1 1 0 0 0 16 28 1 0 0 0 0 17 22 1 1 0 0 0 17 29 1 6 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 22 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END > 154020 > K $$$$ 154754 1016 111283D 154754 23 24 0 1 V2000 1.0273 -4.6151 -0.0558 Br 0 0 0 0 0 0 0 0 0 0.1840 1.2318 0.7789 N 0 0 0 0 0 0 0 0 0 -0.5633 1.8062 1.0025 H 0 0 0 0 0 0 0 0 0 2.2377 0.5677 0.2642 N 0 0 0 0 0 0 0 0 0 -0.8893 -1.0043 0.7584 C 0 0 0 0 0 0 0 0 0 -0.6081 -2.3508 0.5483 C 0 0 0 0 0 0 0 0 0 0.1535 -0.0988 0.6362 C 0 0 0 0 0 0 0 0 0 1.4319 -0.5078 0.3157 C 0 0 0 0 0 0 0 0 0 0.6815 -2.7673 0.2241 C 0 0 0 0 0 0 0 0 0 1.7188 -1.8475 0.1033 C 0 0 0 0 0 0 0 0 0 1.4501 1.6271 0.5538 C 0 0 0 0 0 0 0 0 0 1.8357 2.9195 0.6196 N 0 0 0 0 0 0 0 0 0 3.1083 3.3077 0.3918 C 0 0 0 0 0 0 0 0 0 3.3620 4.4859 0.4721 O 0 0 0 0 0 0 0 0 0 4.0723 2.4014 0.0822 O 0 0 0 0 0 0 0 0 0 5.3513 2.9836 -0.0678 C 0 0 0 0 0 0 0 0 0 -1.8583 -0.6815 1.0019 H 0 0 0 0 0 0 0 0 0 -1.3767 -3.0616 0.6347 H 0 0 0 0 0 0 0 0 0 2.6921 -2.1550 -0.1418 H 0 0 0 0 0 0 0 0 0 1.1833 3.5976 0.8374 H 0 0 0 0 0 0 0 0 0 5.3549 3.6941 -0.8831 H 0 0 0 0 0 0 0 0 0 5.6508 3.4814 0.8442 H 0 0 0 0 0 0 0 0 0 6.0654 2.2025 -0.2842 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 4 11 2 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 M END > 154754 > K $$$$ 154890 1016 111283D 154890 49 52 0 2 V2000 -1.5060 -16.9263 0.9013 O 0 0 0 0 0 0 0 0 0 0.0801 -15.4650 -0.9813 O 0 0 0 0 0 0 0 0 0 -0.7387 -14.8565 -0.0820 C 0 0 0 0 0 0 0 0 0 -1.5029 -15.5673 0.8388 C 0 0 0 0 0 0 0 0 0 -0.7918 -13.4708 -0.1061 C 0 0 0 0 0 0 0 0 0 -2.2997 -14.8707 1.7328 C 0 0 0 0 0 0 0 0 0 -1.5976 -12.7516 0.7779 C 0 0 0 0 0 0 0 0 0 -2.3414 -13.4815 1.7046 C 0 0 0 0 0 0 0 0 0 -1.6979 -11.3545 0.7830 C 0 0 0 0 0 0 0 0 0 -3.1426 -12.8246 2.6228 C 0 0 0 0 0 0 0 0 0 -0.9555 -10.5899 -0.1118 C 0 0 0 0 0 0 0 0 0 -3.2194 -11.4429 2.5940 C 0 0 0 0 0 0 0 0 0 -2.5313 -10.7022 1.6694 N 0 3 0 0 0 0 0 0 0 -1.0522 -9.2086 -0.1186 C 0 0 0 0 0 0 0 0 0 -0.2743 -8.4903 -1.0202 C 0 0 0 0 0 0 0 0 0 -1.9133 -8.5585 0.7612 C 0 0 0 0 0 0 0 0 0 -2.6808 -9.3297 1.6380 C 0 0 0 0 0 0 0 0 0 -0.3428 -7.1071 -1.0633 C 0 0 0 0 0 0 0 0 0 0.4370 -6.4561 -1.9677 O 0 0 0 0 0 0 0 0 0 -1.9602 -7.1650 0.7153 C 0 0 0 0 0 0 0 0 0 -1.1966 -6.4414 -0.1883 C 0 0 0 0 0 0 0 0 0 -1.3273 -5.0871 -0.1725 O 0 0 0 0 0 0 0 0 0 -0.2576 -17.4720 1.2866 C 0 0 0 0 0 0 0 0 0 -0.6213 -16.2412 -1.9354 C 0 0 0 0 0 0 0 0 0 -3.6774 -8.6387 2.5511 C 0 0 0 0 0 0 0 0 0 -0.3120 -5.7791 -2.9605 C 0 0 0 0 0 0 0 0 0 -0.1347 -4.4067 0.1745 C 0 0 0 0 0 0 0 0 0 -0.1940 -13.0021 -0.8268 H 0 0 0 0 0 0 0 0 0 -2.8683 -15.4147 2.4296 H 0 0 0 0 0 0 0 0 0 -3.6914 -13.3665 3.3386 H 0 0 0 0 0 0 0 0 0 -0.3036 -11.0341 -0.8022 H 0 0 0 0 0 0 0 0 0 -3.8340 -10.9998 3.3225 H 0 0 0 0 0 0 0 0 0 0.3766 -8.9813 -1.6838 H 0 0 0 0 0 0 0 0 0 -2.5687 -6.6056 1.3587 H 0 0 0 0 0 0 0 0 0 0.5347 -17.1907 0.6073 H 0 0 0 0 0 0 0 0 0 -0.0023 -17.1490 2.2867 H 0 0 0 0 0 0 0 0 0 -0.3375 -18.5495 1.2918 H 0 0 0 0 0 0 0 0 0 -1.2055 -17.0229 -1.4706 H 0 0 0 0 0 0 0 0 0 -1.2733 -15.6096 -2.5233 H 0 0 0 0 0 0 0 0 0 0.0943 -16.6991 -2.6029 H 0 0 0 0 0 0 0 0 0 -3.2271 -8.4783 3.5203 H 0 0 0 0 0 0 0 0 0 -4.0223 -7.6950 2.1620 H 0 0 0 0 0 0 0 0 0 -4.5756 -9.2261 2.6595 H 0 0 0 0 0 0 0 0 0 0.3726 -5.2814 -3.6320 H 0 0 0 0 0 0 0 0 0 -0.8942 -6.4859 -3.5358 H 0 0 0 0 0 0 0 0 0 -0.9721 -5.0374 -2.5334 H 0 0 0 0 0 0 0 0 0 0.1685 -4.6735 1.1777 H 0 0 0 0 0 0 0 0 0 0.6725 -4.6233 -0.5107 H 0 0 0 0 0 0 0 0 0 -0.3249 -3.3433 0.1527 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 13 2 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 22 27 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 13 1 M END > 154890 > K $$$$ 155595 1016 111283D 155595 34 36 1 1 V2000 -0.0159 1.3943 0.0093 N 0 0 0 0 0 0 0 0 0 -0.8637 1.8687 0.0161 H 0 0 0 0 0 0 0 0 0 1.1436 0.0079 2.1337 N 0 0 0 0 0 0 0 0 0 0.7781 -0.0946 3.0282 H 0 0 0 0 0 0 0 0 0 -1.2258 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0 0 0 2.6121 2.9721 1.4361 H 0 0 0 0 0 0 0 0 0 0.9967 2.6165 2.0855 H 0 0 0 0 0 0 0 0 0 2.3008 3.2477 -2.2241 H 0 0 0 0 0 0 0 0 0 0.3738 7.0421 -1.9744 H 0 0 0 0 0 0 0 0 0 2.9385 0.4660 1.1570 H 0 0 0 0 0 0 0 0 0 1.9023 5.5002 -3.1331 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 1 2 1 0 0 0 0 3 10 1 0 0 0 0 3 19 1 0 0 0 0 3 4 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 1 0 0 0 15 28 1 6 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 21 1 1 0 0 0 19 33 1 6 0 0 0 20 34 1 0 0 0 0 21 22 3 0 0 0 0 M END > 155595 > K $$$$ 156215 1016 111283D 156215 111114 1 1 V2000 -3.3888 -2.6068 -2.9988 O 0 0 0 0 0 0 0 0 0 -4.7352 -0.7581 -3.3167 O 0 0 0 0 0 0 0 0 0 -3.3160 -5.7805 -6.4114 O 0 0 0 0 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0 0 0 -9.7290 5.8667 -12.7353 H 0 0 0 0 0 0 0 0 0 -5.8318 -2.1126 -14.4577 H 0 0 0 0 0 0 0 0 0 -4.6202 -2.5633 -13.2598 H 0 0 0 0 0 0 0 0 0 -5.9152 -3.6799 -13.6762 H 0 0 0 0 0 0 0 0 0 -4.1873 4.7079 -11.9640 H 0 0 0 0 0 0 0 0 0 -5.6495 5.6484 -11.6908 H 0 0 0 0 0 0 0 0 0 -4.4673 5.4382 -10.3902 H 0 0 0 0 0 0 0 0 0 -11.0022 2.4618 -13.4554 H 0 0 0 0 0 0 0 0 0 -10.7898 2.0408 -10.4776 H 0 0 0 0 0 0 0 0 0 -9.5165 2.7602 -9.5008 H 0 0 0 0 0 0 0 0 0 -11.0499 3.5718 -9.7109 H 0 0 0 0 0 0 0 0 0 -12.2106 5.6672 -9.0090 H 0 0 0 0 0 0 0 0 0 -11.6678 6.5620 -7.5866 H 0 0 0 0 0 0 0 0 0 -12.3371 7.4126 -8.9738 H 0 0 0 0 0 0 0 0 0 -8.1740 0.4145 -10.5637 H 0 0 0 0 0 0 0 0 0 -6.9357 1.0867 -11.6395 H 0 0 0 0 0 0 0 0 0 -7.9220 2.0967 -10.6303 H 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 34 1 0 0 0 0 2 32 1 0 0 0 0 2 34 1 0 0 0 0 3 25 2 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 7 48 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 9 60 1 0 0 0 0 10 11 2 0 0 0 0 10 61 1 0 0 0 0 11 12 1 0 0 0 0 11 62 1 0 0 0 0 12 13 1 1 0 0 0 12 59 1 0 0 0 0 12 63 1 6 0 0 0 13 53 1 1 0 0 0 13 14 1 6 0 0 0 13 64 1 0 0 0 0 14 15 1 1 0 0 0 14 56 1 6 0 0 0 14 65 1 0 0 0 0 15 47 1 0 0 0 0 15 16 1 6 0 0 0 15 66 1 1 0 0 0 16 54 1 6 0 0 0 16 17 1 0 0 0 0 16 67 1 1 0 0 0 17 49 1 0 0 0 0 17 18 1 6 0 0 0 17 68 1 1 0 0 0 18 19 1 1 0 0 0 18 46 1 0 0 0 0 18 69 1 6 0 0 0 19 44 1 0 0 0 0 19 20 1 6 0 0 0 19 70 1 1 0 0 0 20 43 1 6 0 0 0 20 21 1 0 0 0 0 20 41 1 1 0 0 0 21 33 2 0 0 0 0 21 71 1 0 0 0 0 22 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 27 2 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 35 1 0 0 0 0 26 29 2 0 0 0 0 27 45 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 30 36 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 42 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 87 1 0 0 0 0 44 88 1 0 0 0 0 45 89 1 0 0 0 0 45 90 1 0 0 0 0 45 91 1 0 0 0 0 46 92 1 0 0 0 0 46 93 1 0 0 0 0 46 94 1 0 0 0 0 47 95 1 0 0 0 0 48 96 1 0 0 0 0 48 97 1 0 0 0 0 48 98 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 99 1 0 0 0 0 52100 1 0 0 0 0 52101 1 0 0 0 0 53102 1 0 0 0 0 54 57 1 0 0 0 0 54 55 2 0 0 0 0 56103 1 0 0 0 0 56104 1 0 0 0 0 56105 1 0 0 0 0 57 58 1 0 0 0 0 58106 1 0 0 0 0 58107 1 0 0 0 0 58108 1 0 0 0 0 59109 1 0 0 0 0 59110 1 0 0 0 0 59111 1 0 0 0 0 M END > 156215 > K $$$$ 157004 1016 111283D 157004 41 44 0 1 V2000 0.3179 -0.5032 2.5633 O 0 0 0 0 0 0 0 0 0 2.1100 -0.3138 3.8868 N 0 0 0 0 0 0 0 0 0 3.5587 -0.0336 6.5076 O 0 0 0 0 0 0 0 0 0 5.8275 0.1264 6.5920 N 0 0 0 0 0 0 0 0 0 7.4691 0.3256 8.0832 O 0 0 0 0 0 0 0 0 0 4.6547 0.1166 7.4180 C 0 0 0 0 0 0 0 0 0 4.0896 -0.0774 5.2495 C 0 0 0 0 0 0 0 0 0 5.4546 0.0181 5.3205 C 0 0 0 0 0 0 0 0 0 3.4762 -0.1971 4.0039 C 0 0 0 0 0 0 0 0 0 6.2978 0.0024 4.2296 C 0 0 0 0 0 0 0 0 0 4.3034 -0.1947 2.8721 C 0 0 0 0 0 0 0 0 0 7.7745 0.0959 4.5305 C 0 0 0 0 0 0 0 0 0 7.1395 0.2240 6.9267 C 0 0 0 0 0 0 0 0 0 8.1647 0.2016 5.8156 C 0 0 0 0 0 0 0 0 0 5.6938 -0.0973 2.9823 C 0 0 0 0 0 0 0 0 0 3.6724 -0.3003 1.5042 C 0 0 0 0 0 0 0 0 0 2.3397 -0.3930 1.4115 C 0 0 0 0 0 0 0 0 0 1.5176 -0.4070 2.6608 C 0 0 0 0 0 0 0 0 0 5.0480 0.9969 0.0957 O 0 0 0 0 0 0 0 0 0 5.8208 1.1067 -1.0175 C 0 0 0 0 0 0 0 0 0 6.0658 0.1414 -1.7015 O 0 0 0 0 0 0 0 0 0 6.3739 2.4414 -1.4009 C 0 0 0 0 0 0 0 0 0 1.2682 -0.3409 5.0604 C 0 0 0 0 0 0 0 0 0 4.5115 -0.3010 0.2555 C 0 0 0 0 0 0 0 0 0 8.7818 0.0699 3.4156 C 0 0 0 0 0 0 0 0 0 4.5674 1.0479 7.9613 H 0 0 0 0 0 0 0 0 0 4.6847 -0.7090 8.1157 H 0 0 0 0 0 0 0 0 0 9.1827 0.2698 6.0614 H 0 0 0 0 0 0 0 0 0 6.2970 -0.0982 2.1236 H 0 0 0 0 0 0 0 0 0 1.8604 -0.4567 0.4798 H 0 0 0 0 0 0 0 0 0 7.1112 2.3162 -2.1796 H 0 0 0 0 0 0 0 0 0 5.5658 3.0580 -1.7640 H 0 0 0 0 0 0 0 0 0 6.8271 2.9076 -0.5393 H 0 0 0 0 0 0 0 0 0 0.2242 -0.4752 4.8140 H 0 0 0 0 0 0 0 0 0 1.5661 -1.1560 5.7047 H 0 0 0 0 0 0 0 0 0 1.3694 0.5887 5.6021 H 0 0 0 0 0 0 0 0 0 5.2993 -1.0359 0.3548 H 0 0 0 0 0 0 0 0 0 3.9105 -0.5608 -0.6056 H 0 0 0 0 0 0 0 0 0 9.7839 0.2120 3.7940 H 0 0 0 0 0 0 0 0 0 8.7305 -0.8844 2.9118 H 0 0 0 0 0 0 0 0 0 8.5598 0.8568 2.7098 H 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 18 1 0 0 0 0 2 9 1 0 0 0 0 2 23 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 13 2 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 16 1 0 0 0 0 11 15 1 0 0 0 0 12 25 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 24 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END > 157004 > K $$$$ 157389 1016 111283D 157389 56 57 1 1 V2000 7.6246 -8.8580 1.5793 N 0 0 0 0 0 0 0 0 0 5.2985 -11.3436 1.5898 H 0 0 0 0 0 0 0 0 0 6.1981 -10.8724 1.3294 C 0 0 0 0 0 0 0 0 0 7.0846 -11.4916 0.5361 C 0 0 0 0 0 0 0 0 0 7.9667 -10.9794 0.2819 H 0 0 0 0 0 0 0 0 0 6.4738 -17.0437 -1.7621 Cl 0 0 0 0 0 0 0 0 0 7.8985 -7.6257 2.0637 C 0 0 0 0 0 0 0 0 0 6.9736 -6.9754 2.8686 C 0 0 0 0 0 0 0 0 0 5.7622 -7.5910 3.1689 C 0 0 0 0 0 0 0 0 0 5.5191 -8.8621 2.6614 C 0 0 0 0 0 0 0 0 0 6.4649 -9.4943 1.8653 C 0 0 0 0 0 0 0 0 0 7.7339 -14.6623 -1.4129 C 0 0 0 0 0 0 0 0 0 6.6342 -15.4458 -1.0917 C 0 0 0 0 0 0 0 0 0 7.8588 -13.3877 -0.8754 C 0 0 0 0 0 0 0 0 0 6.8900 -12.8829 -0.0145 C 0 0 0 0 0 0 0 0 0 5.6623 -14.9502 -0.2336 C 0 0 0 0 0 0 0 0 0 5.7898 -13.6751 0.3025 C 0 0 0 0 0 0 0 0 0 4.5260 -2.7129 2.6238 N 0 0 0 0 0 0 0 0 0 3.3378 -2.4606 1.8051 C 0 0 0 0 0 0 0 0 0 2.8442 -1.0171 1.8894 C 0 0 0 0 0 0 0 0 0 5.7958 -2.2260 2.0843 C 0 0 0 0 0 0 0 0 0 6.3182 -3.2043 1.0355 C 0 0 0 0 0 0 0 0 0 4.3916 -2.6195 4.0784 C 0 0 0 0 0 0 0 0 0 3.3286 -3.5572 4.6570 C 0 0 0 0 0 0 0 0 0 3.4587 -5.0125 4.1906 C 0 0 0 0 0 0 0 0 0 4.8189 -5.6680 4.4516 C 0 0 1 0 0 0 0 0 0 5.1525 -5.7582 5.9398 C 0 0 0 0 0 0 0 0 0 4.7890 -7.0149 3.9400 N 0 0 0 0 0 0 0 0 0 8.8117 -7.1623 1.8300 H 0 0 0 0 0 0 0 0 0 7.2070 -6.0242 3.2396 H 0 0 0 0 0 0 0 0 0 4.6144 -9.3465 2.8811 H 0 0 0 0 0 0 0 0 0 8.4704 -15.0347 -2.0623 H 0 0 0 0 0 0 0 0 0 8.6953 -12.8029 -1.1252 H 0 0 0 0 0 0 0 0 0 4.8296 -15.5420 0.0099 H 0 0 0 0 0 0 0 0 0 5.0427 -13.3231 0.9490 H 0 0 0 0 0 0 0 0 0 3.5495 -2.6895 0.7708 H 0 0 0 0 0 0 0 0 0 2.5341 -3.1112 2.1160 H 0 0 0 0 0 0 0 0 0 3.6062 -0.3400 1.5334 H 0 0 0 0 0 0 0 0 0 1.9615 -0.9052 1.2767 H 0 0 0 0 0 0 0 0 0 2.5942 -0.7691 2.9101 H 0 0 0 0 0 0 0 0 0 5.6816 -1.2445 1.6467 H 0 0 0 0 0 0 0 0 0 6.5467 -2.1597 2.8594 H 0 0 0 0 0 0 0 0 0 7.2814 -2.8714 0.6774 H 0 0 0 0 0 0 0 0 0 6.4229 -4.1836 1.4796 H 0 0 0 0 0 0 0 0 0 5.6350 -3.2650 0.2019 H 0 0 0 0 0 0 0 0 0 5.3323 -2.8821 4.5418 H 0 0 0 0 0 0 0 0 0 4.1635 -1.6022 4.3630 H 0 0 0 0 0 0 0 0 0 3.3865 -3.5182 5.7351 H 0 0 0 0 0 0 0 0 0 2.3523 -3.1961 4.3686 H 0 0 0 0 0 0 0 0 0 2.6882 -5.5943 4.6756 H 0 0 0 0 0 0 0 0 0 3.2818 -5.0484 3.1255 H 0 0 0 0 0 0 0 0 0 5.5628 -5.0652 3.9547 H 0 0 0 0 0 0 0 0 0 4.3830 -6.3149 6.4550 H 0 0 0 0 0 0 0 0 0 6.0967 -6.2681 6.0636 H 0 0 0 0 0 0 0 0 0 5.2293 -4.7712 6.3703 H 0 0 0 0 0 0 0 0 0 4.0115 -7.5531 4.1652 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 2 0 0 0 0 2 3 1 0 0 0 0 3 11 1 0 0 0 0 3 4 2 0 0 0 0 4 15 1 0 0 0 0 4 5 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 28 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 23 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 28 1 6 0 0 0 26 27 1 1 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > 157389 > K $$$$ 157930 1016 111283D 157930 43 45 0 2 V2000 -0.0248 1.7506 -0.0007 S 0 5 0 0 0 0 0 0 0 3.3410 3.8850 -2.2185 C 0 0 0 0 0 0 0 0 0 2.9577 2.6018 -2.5931 C 0 0 0 0 0 0 0 0 0 2.7005 4.5103 -1.1541 C 0 0 0 0 0 0 0 0 0 1.6758 3.8615 -0.4767 C 0 0 0 0 0 0 0 0 0 1.9332 1.9534 -1.9155 C 0 0 0 0 0 0 0 0 0 1.2917 2.5846 -0.8599 C 0 0 0 0 0 0 0 0 0 -1.1107 -0.7639 0.2232 C 0 0 0 0 0 0 0 0 0 0.0532 -0.0095 0.2507 C 0 0 0 0 0 0 0 0 0 -1.0524 -2.1376 0.4201 C 0 0 0 0 0 0 0 0 0 0.1701 -2.7597 0.6491 C 0 0 0 0 0 0 0 0 0 1.2759 -0.6261 0.4733 C 0 0 0 0 0 0 0 0 0 1.3347 -1.9997 0.6704 C 0 0 0 0 0 0 0 0 0 -1.8791 3.7773 -0.0583 C 0 0 0 0 0 0 0 0 0 -2.9497 4.5074 0.4417 C 0 0 0 0 0 0 0 0 0 -1.4000 2.6798 0.6422 C 0 0 0 0 0 0 0 0 0 -1.9925 2.3087 1.8406 C 0 0 0 0 0 0 0 0 0 -3.5421 4.1441 1.6462 C 0 0 0 0 0 0 0 0 0 -3.0629 3.0390 2.3415 C 0 0 0 0 0 0 0 0 0 -4.6930 4.9396 2.1915 C 0 0 0 0 0 0 0 0 0 4.4408 4.5900 -2.9586 C 0 0 0 0 0 0 0 0 0 0.2320 -4.2434 0.8705 C 0 0 0 0 0 0 0 0 0 3.4383 2.1160 -3.3894 H 0 0 0 0 0 0 0 0 0 2.9861 5.4754 -0.8569 H 0 0 0 0 0 0 0 0 0 1.1860 4.3290 0.3256 H 0 0 0 0 0 0 0 0 0 1.6366 0.9857 -2.1945 H 0 0 0 0 0 0 0 0 0 -2.0304 -0.2869 0.0531 H 0 0 0 0 0 0 0 0 0 -1.9375 -2.7007 0.3956 H 0 0 0 0 0 0 0 0 0 2.1507 -0.0458 0.4911 H 0 0 0 0 0 0 0 0 0 2.2639 -2.4584 0.8361 H 0 0 0 0 0 0 0 0 0 -1.4251 4.0479 -0.9653 H 0 0 0 0 0 0 0 0 0 -3.3063 5.3350 -0.0962 H 0 0 0 0 0 0 0 0 0 -1.6248 1.4748 2.3618 H 0 0 0 0 0 0 0 0 0 -3.5057 2.7509 3.2483 H 0 0 0 0 0 0 0 0 0 -5.6162 4.5241 1.8152 H 0 0 0 0 0 0 0 0 0 -4.6977 4.8984 3.2708 H 0 0 0 0 0 0 0 0 0 -4.6143 5.9712 1.8810 H 0 0 0 0 0 0 0 0 0 5.3852 4.3581 -2.4885 H 0 0 0 0 0 0 0 0 0 4.4661 4.2643 -3.9882 H 0 0 0 0 0 0 0 0 0 4.2830 5.6582 -2.9333 H 0 0 0 0 0 0 0 0 0 0.3610 -4.7348 -0.0827 H 0 0 0 0 0 0 0 0 0 1.0633 -4.4909 1.5143 H 0 0 0 0 0 0 0 0 0 -0.6819 -4.5910 1.3295 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 21 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 22 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M CHG 1 1 -1 M END > 157930 > K $$$$ 159935 1016 111283D 159935 28 28 0 1 V2000 -3.4067 3.3749 -4.5371 O 0 0 0 0 0 0 0 0 0 -2.2038 5.4551 -4.9545 H 0 0 0 0 0 0 0 0 0 -2.7749 3.9808 -3.7082 C 0 0 0 0 0 0 0 0 0 -3.1762 2.6845 -2.2494 H 0 0 0 0 0 0 0 0 0 -2.1455 5.1240 -4.0475 N 0 0 0 0 0 0 0 0 0 -2.7017 3.5083 -2.4396 N 0 0 0 0 0 0 0 0 0 -1.9992 4.1404 -1.4518 C 0 0 0 0 0 0 0 0 0 -1.4353 5.8040 -3.1204 C 0 0 0 0 0 0 0 0 0 -1.3373 5.2835 -1.7091 C 0 0 0 0 0 0 0 0 0 -0.8952 6.8260 -3.4653 O 0 0 0 0 0 0 0 0 0 -0.5423 6.0007 -0.6405 C 0 0 0 0 0 0 0 0 0 -0.5929 5.6481 0.3476 H 0 0 0 0 0 0 0 0 0 0.3417 7.4570 -1.8467 H 0 0 0 0 0 0 0 0 0 0.2321 7.0688 -0.8803 C 0 0 0 0 0 0 0 0 0 0.9716 7.7439 0.2336 C 0 0 0 0 0 0 0 0 0 0.8307 7.3593 1.3709 O 0 0 0 0 0 0 0 0 0 1.7940 8.7847 -0.0644 O 0 0 0 0 0 0 0 0 0 -1.9947 3.5153 -0.0828 C 0 0 0 0 0 0 0 0 0 2.3465 9.4062 1.0772 C 0 0 0 0 0 0 0 0 0 3.4120 10.3820 0.5944 C 0 0 0 0 0 0 0 0 0 -2.5287 2.5767 -0.0973 H 0 0 0 0 0 0 0 0 0 -0.9791 3.3288 0.2346 H 0 0 0 0 0 0 0 0 0 -2.4788 4.1778 0.6200 H 0 0 0 0 0 0 0 0 0 1.5790 9.9479 1.6135 H 0 0 0 0 0 0 0 0 0 2.8054 8.6843 1.7396 H 0 0 0 0 0 0 0 0 0 4.1861 9.8356 0.0760 H 0 0 0 0 0 0 0 0 0 2.9677 11.0965 -0.0830 H 0 0 0 0 0 0 0 0 0 3.8427 10.9035 1.4365 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 18 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 11 14 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 M END > 159935 > K $$$$ 163088 1016 111283D 163088 43 47 0 2 V2000 -5.1238 0.6650 -3.3765 N 0 3 0 0 0 0 0 0 0 -3.5021 5.6399 -6.5792 O 0 0 0 0 0 0 0 0 0 -5.2635 5.0656 -8.0372 O 0 0 0 0 0 0 0 0 0 -4.2013 5.9757 -7.7723 C 0 0 0 0 0 0 0 0 0 -4.1825 4.5662 -6.1326 C 0 0 0 0 0 0 0 0 0 -5.2117 4.2312 -6.9795 C 0 0 0 0 0 0 0 0 0 -3.9382 3.8388 -4.9794 C 0 0 0 0 0 0 0 0 0 -6.0402 3.1556 -6.6998 C 0 0 0 0 0 0 0 0 0 -4.7622 2.7550 -4.6809 C 0 0 0 0 0 0 0 0 0 -5.8086 2.4188 -5.5407 C 0 0 0 0 0 0 0 0 0 -4.5625 1.9126 -3.4410 C 0 0 0 0 0 0 0 0 0 -3.8192 2.3934 -2.3680 C 0 0 0 0 0 0 0 0 0 -3.6495 1.6083 -1.2367 C 0 0 0 0 0 0 0 0 0 -2.9130 2.0659 -0.1526 C 0 0 0 0 0 0 0 0 0 -2.7641 1.2649 0.9716 C 0 0 0 0 0 0 0 0 0 -6.6947 1.2508 -5.2020 C 0 0 0 0 0 0 0 0 0 -4.2238 0.3444 -1.1824 C 0 0 0 0 0 0 0 0 0 -3.3411 -0.0023 1.0326 C 0 0 0 0 0 0 0 0 0 -5.8986 0.1526 -4.4918 C 0 0 0 0 0 0 0 0 0 -4.9583 -0.1148 -2.2673 C 0 0 0 0 0 0 0 0 0 -4.0750 -0.4637 -0.0634 C 0 0 0 0 0 0 0 0 0 -3.2208 -0.8181 2.1229 O 0 0 0 0 0 0 0 0 0 -2.5921 -0.3420 3.2988 C 0 0 0 0 0 0 0 0 0 -4.6999 -1.6753 -0.1781 O 0 0 0 0 0 0 0 0 0 -4.3308 -2.7023 0.7247 C 0 0 0 0 0 0 0 0 0 -4.6074 6.9738 -7.6749 H 0 0 0 0 0 0 0 0 0 -3.5089 5.9755 -8.6035 H 0 0 0 0 0 0 0 0 0 -3.1384 4.1212 -4.3620 H 0 0 0 0 0 0 0 0 0 -6.8225 2.9133 -7.3583 H 0 0 0 0 0 0 0 0 0 -3.3847 3.3486 -2.4010 H 0 0 0 0 0 0 0 0 0 -2.4653 3.0172 -0.1739 H 0 0 0 0 0 0 0 0 0 -2.2051 1.6338 1.7800 H 0 0 0 0 0 0 0 0 0 -7.4761 1.6011 -4.5423 H 0 0 0 0 0 0 0 0 0 -7.1518 0.8450 -6.0941 H 0 0 0 0 0 0 0 0 0 -5.2252 -0.3000 -5.2099 H 0 0 0 0 0 0 0 0 0 -6.6024 -0.6088 -4.1767 H 0 0 0 0 0 0 0 0 0 -5.3851 -1.0782 -2.2143 H 0 0 0 0 0 0 0 0 0 -1.5622 -0.0787 3.1042 H 0 0 0 0 0 0 0 0 0 -3.1218 0.5103 3.7005 H 0 0 0 0 0 0 0 0 0 -2.6064 -1.1289 4.0389 H 0 0 0 0 0 0 0 0 0 -4.7772 -3.6310 0.4006 H 0 0 0 0 0 0 0 0 0 -3.2578 -2.8365 0.7482 H 0 0 0 0 0 0 0 0 0 -4.6891 -2.4784 1.7198 H 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 11 1 0 0 0 0 1 20 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 28 1 0 0 0 0 8 10 2 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 20 1 0 0 0 0 18 22 1 0 0 0 0 18 21 2 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 1 1 1 M END > 163088 > K $$$$ 163443 1016 111283D 163443 52 56 0 1 V2000 -0.1809 -0.0259 0.2077 N 0 0 0 0 0 0 0 0 0 4.9502 -3.6929 -0.5347 N 0 0 0 0 0 0 0 0 0 8.1112 -2.1088 0.5439 O 0 0 0 0 0 0 0 0 0 12.2080 0.7739 1.2653 C 0 0 0 0 0 0 0 0 0 11.4543 0.4609 0.1459 C 0 0 0 0 0 0 0 0 0 11.8693 0.2547 2.5045 C 0 0 0 0 0 0 0 0 0 10.3576 -0.3741 0.2597 C 0 0 0 0 0 0 0 0 0 10.7750 -0.5812 2.6303 C 0 0 0 0 0 0 0 0 0 10.0137 -0.8990 1.5053 C 0 0 0 0 0 0 0 0 0 3.6353 -1.5469 -0.3174 C 0 0 0 0 0 0 0 0 0 2.3498 -1.0225 -0.1400 C 0 0 0 0 0 0 0 0 0 3.8127 -2.9216 -0.3703 C 0 0 0 0 0 0 0 0 0 2.1231 0.3640 -0.0812 C 0 0 0 0 0 0 0 0 0 0.8430 0.8128 0.0937 C 0 0 0 0 0 0 0 0 0 2.7106 -3.7898 -0.2464 C 0 0 0 0 0 0 0 0 0 1.2370 -1.8926 -0.0146 C 0 0 0 0 0 0 0 0 0 1.4273 -3.2791 -0.0692 C 0 0 0 0 0 0 0 0 0 3.2342 -5.1485 -0.3443 C 0 0 0 0 0 0 0 0 0 5.3945 -6.1878 -0.6477 C 0 0 0 0 0 0 0 0 0 4.7938 -7.4327 -0.5979 C 0 0 0 0 0 0 0 0 0 4.6189 -5.0368 -0.5212 C 0 0 0 0 0 0 0 0 0 3.4226 -7.5477 -0.4225 C 0 0 0 0 0 0 0 0 0 2.6401 -6.4146 -0.2955 C 0 0 0 0 0 0 0 0 0 -0.0394 -1.3348 0.1618 C 0 0 0 0 0 0 0 0 0 4.8189 -0.6249 -0.4500 C 0 0 0 0 0 0 0 0 0 0.2548 -4.2154 0.0620 C 0 0 0 0 0 0 0 0 0 6.9468 -2.9589 0.6770 C 0 0 0 0 0 0 0 0 0 6.3057 -3.1661 -0.6996 C 0 0 0 0 0 0 0 0 0 8.8407 -1.7933 1.6353 C 0 0 0 0 0 0 0 0 0 8.5365 -2.2409 2.7194 O 0 0 0 0 0 0 0 0 0 13.0632 1.4211 1.1713 H 0 0 0 0 0 0 0 0 0 11.7224 0.8681 -0.8137 H 0 0 0 0 0 0 0 0 0 12.4589 0.5021 3.3703 H 0 0 0 0 0 0 0 0 0 9.7732 -0.6160 -0.6121 H 0 0 0 0 0 0 0 0 0 10.5142 -0.9840 3.5946 H 0 0 0 0 0 0 0 0 0 2.9349 1.0655 -0.1711 H 0 0 0 0 0 0 0 0 0 0.6611 1.8707 0.1397 H 0 0 0 0 0 0 0 0 0 6.4589 -6.1115 -0.7840 H 0 0 0 0 0 0 0 0 0 5.3959 -8.3193 -0.6960 H 0 0 0 0 0 0 0 0 0 2.9658 -8.5217 -0.3854 H 0 0 0 0 0 0 0 0 0 1.5775 -6.5081 -0.1591 H 0 0 0 0 0 0 0 0 0 -0.9037 -1.9691 0.2602 H 0 0 0 0 0 0 0 0 0 5.0392 -0.4667 -1.5054 H 0 0 0 0 0 0 0 0 0 4.5907 0.3295 0.0206 H 0 0 0 0 0 0 0 0 0 5.6835 -1.0701 0.0391 H 0 0 0 0 0 0 0 0 0 0.1036 -4.4630 1.1121 H 0 0 0 0 0 0 0 0 0 -0.6399 -3.7334 -0.3300 H 0 0 0 0 0 0 0 0 0 0.4509 -5.1256 -0.5017 H 0 0 0 0 0 0 0 0 0 7.2425 -3.9243 1.0859 H 0 0 0 0 0 0 0 0 0 6.2245 -2.4885 1.3443 H 0 0 0 0 0 0 0 0 0 6.9040 -3.8712 -1.2750 H 0 0 0 0 0 0 0 0 0 6.2651 -2.2133 -1.2268 H 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 1 14 1 0 0 0 0 2 28 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 27 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 31 1 0 0 0 0 5 7 2 0 0 0 0 5 32 1 0 0 0 0 6 8 1 0 0 0 0 6 33 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 29 1 0 0 0 0 10 25 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 11 16 1 0 0 0 0 11 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 17 1 0 0 0 0 16 24 1 0 0 0 0 16 17 2 0 0 0 0 17 26 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 M END > 163443 > K $$$$ 163501 1016 111283D 163501 18 18 1 1 V2000 -1.2671 -1.1180 0.4052 Cl 0 0 0 0 0 0 0 0 0 -0.0244 1.2111 0.4107 N 0 0 0 0 0 0 0 0 0 1.2204 1.8671 0.2976 O 0 0 0 0 0 0 0 0 0 3.0651 1.3959 -1.4303 H 0 0 0 0 0 0 0 0 0 2.4781 0.8095 1.4786 H 0 0 0 0 0 0 0 0 0 3.4137 1.1911 -0.4282 C 0 0 2 0 0 0 0 0 0 1.4902 -0.4489 0.0542 C 0 0 0 0 0 0 0 0 0 2.1962 0.8531 0.4349 C 0 0 2 0 0 0 0 0 0 0.0826 -0.0255 0.2970 C 0 0 0 0 0 0 0 0 0 4.4173 0.1291 -0.4755 N 0 0 0 0 0 0 0 0 0 3.9849 2.4725 0.1070 C 0 0 0 0 0 0 0 0 0 4.9867 2.4613 0.8361 O 0 0 0 0 0 0 0 0 0 3.3940 3.6499 -0.2065 O 0 0 0 0 0 0 0 0 0 1.6108 -0.6804 -0.9930 H 0 0 0 0 0 0 0 0 0 1.7929 -1.2761 0.6795 H 0 0 0 0 0 0 0 0 0 4.8144 -0.0710 0.4219 H 0 0 0 0 0 0 0 0 0 4.0975 -0.7030 -0.9306 H 0 0 0 0 0 0 0 0 0 3.8852 4.3405 0.2206 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 8 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 18 1 0 0 0 0 M END > 163501 > K $$$$ 164909 1016 111283D 164909 50 52 0 1 V2000 0.0251 2.0205 -0.0858 Sn 0 0 0 0 0 0 0 0 0 -3.8605 1.4846 -3.7744 C 0 0 0 0 0 0 0 0 0 -4.4667 1.8117 -2.5756 C 0 0 0 0 0 0 0 0 0 -2.5838 0.9551 -3.7814 C 0 0 0 0 0 0 0 0 0 -1.9123 0.7543 -2.5896 C 0 0 0 0 0 0 0 0 0 -3.7955 1.6105 -1.3842 C 0 0 0 0 0 0 0 0 0 -2.5181 1.0818 -1.3912 C 0 0 0 0 0 0 0 0 0 0.0766 3.7342 3.2424 C 0 0 0 0 0 0 0 0 0 -0.7761 4.2222 4.2146 C 0 0 0 0 0 0 0 0 0 0.0399 2.3953 2.8996 C 0 0 0 0 0 0 0 0 0 -1.6651 3.3713 4.8449 C 0 0 0 0 0 0 0 0 0 -0.8492 1.5448 3.5291 C 0 0 0 0 0 0 0 0 0 -1.7019 2.0329 4.5018 C 0 0 0 0 0 0 0 0 0 -2.5138 4.6562 -1.7680 C 0 0 0 0 0 0 0 0 0 -1.2171 4.1766 -1.7776 C 0 0 0 0 0 0 0 0 0 -3.2265 4.7450 -2.9489 C 0 0 0 0 0 0 0 0 0 -0.6336 3.7859 -2.9680 C 0 0 0 0 0 0 0 0 0 -2.6432 4.3528 -4.1395 C 0 0 0 0 0 0 0 0 0 -1.3466 3.8742 -4.1491 C 0 0 0 0 0 0 0 0 0 -0.4399 4.0803 -0.4901 C 0 0 0 0 0 0 0 0 0 -1.7863 0.8624 -0.0923 C 0 0 0 0 0 0 0 0 0 1.2643 1.3280 -1.4947 O 0 0 0 0 0 0 0 0 0 2.4766 1.8819 -1.6535 C 0 0 0 0 0 0 0 0 0 2.8190 2.7992 -0.9456 O 0 0 0 0 0 0 0 0 0 3.4104 1.3596 -2.7147 C 0 0 0 0 0 0 0 0 0 0.9694 1.8634 1.8392 C 0 0 0 0 0 0 0 0 0 -4.3868 1.6373 -4.7050 H 0 0 0 0 0 0 0 0 0 -5.4642 2.2258 -2.5703 H 0 0 0 0 0 0 0 0 0 -2.1103 0.6994 -4.7177 H 0 0 0 0 0 0 0 0 0 -0.9144 0.3413 -2.5951 H 0 0 0 0 0 0 0 0 0 -4.2688 1.8667 -0.4479 H 0 0 0 0 0 0 0 0 0 0.7678 4.3999 2.7469 H 0 0 0 0 0 0 0 0 0 -0.7473 5.2680 4.4826 H 0 0 0 0 0 0 0 0 0 -2.3308 3.7525 5.6050 H 0 0 0 0 0 0 0 0 0 -0.8784 0.4991 3.2608 H 0 0 0 0 0 0 0 0 0 -2.3970 1.3684 4.9935 H 0 0 0 0 0 0 0 0 0 -2.9709 4.9583 -0.8373 H 0 0 0 0 0 0 0 0 0 -4.2396 5.1192 -2.9413 H 0 0 0 0 0 0 0 0 0 0.3796 3.4120 -2.9755 H 0 0 0 0 0 0 0 0 0 -3.2002 4.4222 -5.0622 H 0 0 0 0 0 0 0 0 0 -0.8907 3.5690 -5.0793 H 0 0 0 0 0 0 0 0 0 -1.0380 4.4849 0.3266 H 0 0 0 0 0 0 0 0 0 0.4847 4.6505 -0.5803 H 0 0 0 0 0 0 0 0 0 -1.5421 -0.1947 0.0132 H 0 0 0 0 0 0 0 0 0 -2.4195 1.1736 0.7385 H 0 0 0 0 0 0 0 0 0 4.3397 1.9290 -2.6931 H 0 0 0 0 0 0 0 0 0 3.6243 0.3078 -2.5248 H 0 0 0 0 0 0 0 0 0 2.9429 1.4643 -3.6937 H 0 0 0 0 0 0 0 0 0 1.1980 0.8182 2.0476 H 0 0 0 0 0 0 0 0 0 1.8917 2.4443 1.8400 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 6 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 10 26 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 37 1 0 0 0 0 15 20 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END > 164909 > K $$$$ 164914 1016 111283D 164914 52 52 0 1 V2000 -0.8849 7.7394 4.7585 Cl 0 0 0 0 0 0 0 0 0 -2.9774 9.5904 3.2659 Cl 0 0 0 0 0 0 0 0 0 0.8608 13.0003 1.8842 Cl 0 0 0 0 0 0 0 0 0 0.9893 9.5133 3.9505 C 0 0 0 0 0 0 0 0 0 -0.3619 9.1818 3.9489 C 0 0 0 0 0 0 0 0 0 1.4486 10.6591 3.3125 C 0 0 0 0 0 0 0 0 0 0.4975 11.4911 2.6873 C 0 0 0 0 0 0 0 0 0 -1.2849 9.9978 3.3012 C 0 0 0 0 0 0 0 0 0 -0.8498 11.1549 2.6742 C 0 0 0 0 0 0 0 0 0 2.8040 10.7897 3.4178 O 0 0 0 0 0 0 0 0 0 3.7157 11.2241 1.9548 Sn 0 0 0 0 0 0 0 0 0 4.5465 12.2113 3.3654 C 0 0 0 0 0 0 0 0 0 5.1117 12.1995 1.0633 C 0 0 0 0 0 0 0 0 0 3.2150 10.4564 0.2951 C 0 0 0 0 0 0 0 0 0 2.2291 9.2620 0.2502 C 0 0 0 0 0 0 0 0 0 2.6906 8.0084 1.0046 C 0 0 0 0 0 0 0 0 0 6.6407 11.9665 1.1061 C 0 0 0 0 0 0 0 0 0 7.1937 11.8154 -0.3138 C 0 0 0 0 0 0 0 0 0 3.7456 13.1673 4.2592 C 0 0 0 0 0 0 0 0 0 4.2157 14.6003 4.0554 C 0 0 0 0 0 0 0 0 0 1.6217 6.9163 0.9417 C 0 0 0 0 0 0 0 0 0 8.7193 11.7827 -0.3158 C 0 0 0 0 0 0 0 0 0 3.4221 15.4767 5.0198 C 0 0 0 0 0 0 0 0 0 1.6876 8.9057 4.4368 H 0 0 0 0 0 0 0 0 0 -1.5380 11.7809 2.1844 H 0 0 0 0 0 0 0 0 0 4.6987 11.3634 4.0180 H 0 0 0 0 0 0 0 0 0 5.5591 12.5500 3.2520 H 0 0 0 0 0 0 0 0 0 4.8492 12.1691 0.0191 H 0 0 0 0 0 0 0 0 0 4.9431 13.2478 1.2886 H 0 0 0 0 0 0 0 0 0 2.7925 11.2563 -0.2907 H 0 0 0 0 0 0 0 0 0 4.1256 10.1224 -0.1794 H 0 0 0 0 0 0 0 0 0 1.2610 9.5584 0.6342 H 0 0 0 0 0 0 0 0 0 2.0861 8.9758 -0.7861 H 0 0 0 0 0 0 0 0 0 3.6077 7.6330 0.5690 H 0 0 0 0 0 0 0 0 0 2.8687 8.2248 2.0501 H 0 0 0 0 0 0 0 0 0 7.1027 12.8505 1.5302 H 0 0 0 0 0 0 0 0 0 6.9406 11.1207 1.7105 H 0 0 0 0 0 0 0 0 0 6.8018 10.9094 -0.7561 H 0 0 0 0 0 0 0 0 0 6.8768 12.6550 -0.9186 H 0 0 0 0 0 0 0 0 0 2.6742 13.0873 4.1095 H 0 0 0 0 0 0 0 0 0 3.9367 12.8950 5.2919 H 0 0 0 0 0 0 0 0 0 5.2719 14.6637 4.2811 H 0 0 0 0 0 0 0 0 0 4.0566 14.9056 3.0317 H 0 0 0 0 0 0 0 0 0 0.7019 7.2665 1.3883 H 0 0 0 0 0 0 0 0 0 1.4317 6.6307 -0.0832 H 0 0 0 0 0 0 0 0 0 1.9558 6.0460 1.4903 H 0 0 0 0 0 0 0 0 0 9.0796 11.5781 -1.3140 H 0 0 0 0 0 0 0 0 0 9.1088 12.7386 0.0033 H 0 0 0 0 0 0 0 0 0 9.0773 11.0135 0.3517 H 0 0 0 0 0 0 0 0 0 3.7520 16.5014 4.9475 H 0 0 0 0 0 0 0 0 0 2.3695 15.4179 4.7825 H 0 0 0 0 0 0 0 0 0 3.5735 15.1251 6.0310 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 24 1 0 0 0 0 5 8 2 0 0 0 0 6 10 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 21 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 M END > 164914 > K $$$$ 165563 1016 111283D 165563 75 79 1 1 V2000 0.9755 1.0432 -11.3597 O 0 0 0 0 0 0 0 0 0 -3.1991 0.7488 -10.9454 H 0 0 0 0 0 0 0 0 0 -2.8571 -0.0061 -8.6246 H 0 0 0 0 0 0 0 0 0 -5.9934 2.0525 -9.1264 H 0 0 0 0 0 0 0 0 0 -4.2656 2.0892 -5.7424 O 0 0 0 0 0 0 0 0 0 -6.0190 0.8698 -7.0616 H 0 0 0 0 0 0 0 0 0 -5.2160 0.3805 -9.9953 O 0 0 0 0 0 0 0 0 0 -6.3198 -1.4581 -7.2290 O 0 0 0 0 0 0 0 0 0 -5.4511 -1.8007 -9.9175 O 0 0 0 0 0 0 0 0 0 -2.8236 0.1715 -5.8993 C 0 0 2 0 0 0 0 0 0 -4.2795 0.6729 -5.8592 C 0 0 2 0 0 0 0 0 0 -2.0036 0.9303 -6.9539 C 0 0 1 0 0 0 0 0 0 -5.0057 0.5065 -7.1878 C 0 0 1 0 0 0 0 0 0 -2.7677 1.0164 -8.2879 C 0 0 1 0 0 0 0 0 0 -4.2164 1.5019 -8.0302 C 0 0 2 0 0 0 0 0 0 -4.3336 2.6690 -7.0376 C 0 0 0 0 0 0 0 0 0 -5.1519 -0.8874 -7.7891 C 0 0 2 0 0 0 0 0 0 -2.0341 1.7364 -9.4544 C 0 0 1 0 0 0 0 0 0 -0.7971 0.9001 -9.8378 C 0 0 0 0 0 0 0 0 0 -0.1811 1.3165 -11.1412 C 0 0 0 0 0 0 0 0 0 -5.2812 -0.7841 -9.2888 C 0 0 0 0 0 0 0 0 0 -5.0244 1.6146 -9.3272 C 0 0 1 0 0 0 0 0 0 -2.9611 1.7738 -10.6944 C 0 0 1 0 0 0 0 0 0 -0.9933 2.0645 -12.1685 C 0 0 0 0 0 0 0 0 0 -4.2972 2.4579 -10.3664 C 0 0 0 0 0 0 0 0 0 -2.2981 2.2944 -11.9537 C 0 0 0 0 0 0 0 0 0 -0.4258 2.5185 -13.3186 O 0 0 0 0 0 0 0 0 0 -3.0885 3.0651 -12.9792 C 0 0 0 0 0 0 0 0 0 -1.7121 2.2363 -6.5050 O 0 0 0 0 0 0 0 0 0 -1.5498 3.1575 -9.1084 C 0 0 0 0 0 0 0 0 0 -2.7354 -1.2067 -6.1997 O 0 0 0 0 0 0 0 0 0 -5.0395 -0.0506 -4.7788 C 0 0 0 0 0 0 0 0 0 -4.4375 -0.6624 -3.9263 O 0 0 0 0 0 0 0 0 0 -6.3260 -2.7877 -7.4946 C 0 0 0 0 0 0 0 0 0 -5.4153 -3.4494 -7.0577 O 0 0 0 0 0 0 0 0 0 -6.4009 -0.0122 -4.7696 O 0 0 0 0 0 0 0 0 0 -6.9719 -0.9931 -3.9271 C 0 0 0 0 0 0 0 0 0 -7.3954 -3.4577 -8.3039 C 0 0 0 0 0 0 0 0 0 -8.5025 -2.8646 -8.7837 C 0 0 0 0 0 0 0 0 0 -8.8643 -1.4269 -8.4715 C 0 0 0 0 0 0 0 0 0 -9.9072 -0.8237 -9.4187 C 0 0 0 0 0 0 0 0 0 -9.3952 -1.3410 -7.0375 C 0 0 0 0 0 0 0 0 0 -9.4027 -3.6907 -9.6662 C 0 0 0 0 0 0 0 0 0 -2.3696 0.3602 -4.9359 H 0 0 0 0 0 0 0 0 0 -1.0757 0.3944 -7.0986 H 0 0 0 0 0 0 0 0 0 -5.2914 3.1619 -7.1358 H 0 0 0 0 0 0 0 0 0 -3.5578 3.4076 -7.1605 H 0 0 0 0 0 0 0 0 0 -4.2771 -1.4884 -7.5975 H 0 0 0 0 0 0 0 0 0 -0.0425 0.9676 -9.0677 H 0 0 0 0 0 0 0 0 0 -1.0739 -0.1381 -9.9513 H 0 0 0 0 0 0 0 0 0 -4.9287 2.4821 -11.2421 H 0 0 0 0 0 0 0 0 0 -4.1546 3.4692 -10.0164 H 0 0 0 0 0 0 0 0 0 0.4973 2.2834 -13.3259 H 0 0 0 0 0 0 0 0 0 -2.4770 3.3442 -13.8250 H 0 0 0 0 0 0 0 0 0 -3.9093 2.4593 -13.3336 H 0 0 0 0 0 0 0 0 0 -3.4773 3.9678 -12.5305 H 0 0 0 0 0 0 0 0 0 -1.1823 2.2013 -5.7137 H 0 0 0 0 0 0 0 0 0 -1.0633 3.6149 -9.9572 H 0 0 0 0 0 0 0 0 0 -2.3674 3.7976 -8.8217 H 0 0 0 0 0 0 0 0 0 -0.8309 3.1305 -8.3037 H 0 0 0 0 0 0 0 0 0 -3.0049 -1.7186 -5.4385 H 0 0 0 0 0 0 0 0 0 -6.6839 -1.9851 -4.2501 H 0 0 0 0 0 0 0 0 0 -6.6632 -0.8447 -2.9020 H 0 0 0 0 0 0 0 0 0 -8.0478 -0.9130 -3.9791 H 0 0 0 0 0 0 0 0 0 -7.2442 -4.4764 -8.5029 H 0 0 0 0 0 0 0 0 0 -7.9844 -0.8074 -8.5547 H 0 0 0 0 0 0 0 0 0 -10.8453 -1.3551 -9.3455 H 0 0 0 0 0 0 0 0 0 -10.0811 0.2112 -9.1611 H 0 0 0 0 0 0 0 0 0 -9.5497 -0.8712 -10.4368 H 0 0 0 0 0 0 0 0 0 -10.2808 -1.9514 -6.9298 H 0 0 0 0 0 0 0 0 0 -8.6463 -1.6863 -6.3406 H 0 0 0 0 0 0 0 0 0 -9.6444 -0.3183 -6.7942 H 0 0 0 0 0 0 0 0 0 -9.1507 -4.7403 -9.6196 H 0 0 0 0 0 0 0 0 0 -10.4337 -3.5704 -9.3709 H 0 0 0 0 0 0 0 0 0 -9.2849 -3.3612 -10.6887 H 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 17 1 0 0 0 0 8 34 1 0 0 0 0 9 21 2 0 0 0 0 10 31 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 1 0 0 0 10 44 1 0 0 0 0 11 32 1 6 0 0 0 11 13 1 0 0 0 0 12 29 1 0 0 0 0 12 14 1 6 0 0 0 12 45 1 1 0 0 0 13 17 1 0 0 0 0 13 15 1 1 0 0 0 14 15 1 6 0 0 0 14 18 1 1 0 0 0 15 22 1 6 0 0 0 15 16 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 21 1 6 0 0 0 17 48 1 1 0 0 0 18 23 1 6 0 0 0 18 19 1 1 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 24 1 0 0 0 0 22 25 1 1 0 0 0 23 26 1 1 0 0 0 23 25 1 6 0 0 0 24 27 1 0 0 0 0 24 26 2 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 32 36 1 0 0 0 0 32 33 2 0 0 0 0 34 35 2 0 0 0 0 34 38 1 0 0 0 0 36 37 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 39 2 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 39 43 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 M END > 165563 > K $$$$ 165897 1016 111283D 165897 33 34 1 1 V2000 0.6231 2.9386 -0.7322 N 0 0 0 0 0 0 0 0 0 1.4416 4.4129 -2.4820 C 0 0 0 0 0 0 0 0 0 2.1939 4.5913 -3.6290 C 0 0 0 0 0 0 0 0 0 1.3701 3.1636 -1.8959 C 0 0 0 0 0 0 0 0 0 2.0562 2.0789 -2.4636 C 0 0 0 0 0 0 0 0 0 2.8777 3.5230 -4.1943 C 0 0 0 0 0 0 0 0 0 1.9526 0.7563 -1.8155 C 0 0 0 0 0 0 0 0 0 1.0698 1.8893 0.1926 C 0 0 1 0 0 0 0 0 0 1.4842 0.6645 -0.5779 C 0 0 0 0 0 0 0 0 0 2.8124 2.2654 -3.6162 C 0 0 0 0 0 0 0 0 0 3.6149 3.7119 -5.3212 O 0 0 0 0 0 0 0 0 0 3.6871 5.0283 -5.9295 C 0 0 0 0 0 0 0 0 0 -0.4760 3.6716 -0.4653 C 0 0 0 0 0 0 0 0 0 -0.8301 4.5406 -1.2391 O 0 0 0 0 0 0 0 0 0 -1.3999 3.3708 1.0046 S 0 0 0 0 0 0 0 0 0 -2.8449 4.3905 1.3897 C 0 0 0 0 0 0 0 0 0 -2.3971 5.8281 1.6608 C 0 0 0 0 0 0 0 0 0 2.2136 2.3835 0.9761 C 0 0 0 0 0 0 0 0 0 3.0965 2.7650 1.5809 N 0 0 0 0 0 0 0 0 0 0.9121 5.2472 -2.0461 H 0 0 0 0 0 0 0 0 0 2.2498 5.5675 -4.0879 H 0 0 0 0 0 0 0 0 0 2.2575 -0.1330 -2.3471 H 0 0 0 0 0 0 0 0 0 0.2544 1.6323 0.8689 H 0 0 0 0 0 0 0 0 0 1.3985 -0.3072 -0.1145 H 0 0 0 0 0 0 0 0 0 3.3446 1.4358 -4.0575 H 0 0 0 0 0 0 0 0 0 4.3189 4.9847 -6.8166 H 0 0 0 0 0 0 0 0 0 2.6858 5.3534 -6.2122 H 0 0 0 0 0 0 0 0 0 4.1107 5.7354 -5.2161 H 0 0 0 0 0 0 0 0 0 -3.5341 4.3778 0.5452 H 0 0 0 0 0 0 0 0 0 -3.3451 3.9930 2.2728 H 0 0 0 0 0 0 0 0 0 -1.8968 6.2256 0.7777 H 0 0 0 0 0 0 0 0 0 -3.2672 6.4421 1.8928 H 0 0 0 0 0 0 0 0 0 -1.7080 5.8408 2.5053 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 4 2 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 6 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 22 1 0 0 0 0 8 18 1 6 0 0 0 8 9 1 1 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 3 0 0 0 0 M END > 165897 > K $$$$ 166381 1016 111283D 166381 52 55 0 1 V2000 1.4205 -4.6306 0.5761 O 0 0 0 0 0 0 0 0 0 -2.4829 -3.0233 0.7952 S 0 0 0 0 0 0 0 0 0 -1.2425 -3.6020 -4.0294 N 0 0 0 0 0 0 0 0 0 1.1047 -3.6158 -2.3323 N 0 0 0 0 0 0 0 0 0 -1.0328 -4.6156 -2.9922 C 0 0 0 0 0 0 0 0 0 0.4657 -4.8502 -2.7903 C 0 0 0 0 0 0 0 0 0 -0.6033 -2.3664 -3.5688 C 0 0 0 0 0 0 0 0 0 0.8946 -2.6003 -3.3665 C 0 0 0 0 0 0 0 0 0 1.3308 -2.0213 -0.0626 C 0 0 0 0 0 0 0 0 0 1.2309 -0.6614 -0.3304 C 0 0 0 0 0 0 0 0 0 0.1804 -2.7381 0.2934 C 0 0 0 0 0 0 0 0 0 0.3001 -4.1782 0.5893 C 0 0 0 0 0 0 0 0 0 -0.7764 -5.1395 0.9011 C 0 0 0 0 0 0 0 0 0 -0.4465 -6.4851 1.0737 C 0 0 0 0 0 0 0 0 0 -1.4378 -7.3977 1.3696 C 0 0 0 0 0 0 0 0 0 0.0079 -0.0050 -0.2540 C 0 0 0 0 0 0 0 0 0 -1.0442 -2.0708 0.3575 C 0 0 0 0 0 0 0 0 0 -2.1093 -4.7457 1.0293 C 0 0 0 0 0 0 0 0 0 -2.7648 -6.9982 1.4995 C 0 0 0 0 0 0 0 0 0 -1.1372 -0.7126 0.0901 C 0 0 0 0 0 0 0 0 0 -3.1076 -5.6631 1.3288 C 0 0 0 0 0 0 0 0 0 2.5453 -3.8731 -2.2646 C 0 0 0 0 0 0 0 0 0 3.2307 -2.7765 -1.4405 C 0 0 0 0 0 0 0 0 0 2.5603 -2.6461 -0.1545 N 0 0 0 0 0 0 0 0 0 -2.6822 -3.3435 -4.0939 C 0 0 0 0 0 0 0 0 0 -2.4665 -0.0067 0.1703 C 0 0 0 0 0 0 0 0 0 -3.2541 -0.3394 -0.9645 O 0 0 0 0 0 0 0 0 0 -1.4702 -4.2666 -2.0583 H 0 0 0 0 0 0 0 0 0 -1.5078 -5.5462 -3.2879 H 0 0 0 0 0 0 0 0 0 0.9127 -5.1516 -3.7359 H 0 0 0 0 0 0 0 0 0 0.6133 -5.6352 -2.0544 H 0 0 0 0 0 0 0 0 0 -0.7506 -1.5813 -4.3041 H 0 0 0 0 0 0 0 0 0 -1.0496 -2.0648 -2.6227 H 0 0 0 0 0 0 0 0 0 1.3697 -1.6702 -3.0713 H 0 0 0 0 0 0 0 0 0 1.3325 -2.9497 -4.3004 H 0 0 0 0 0 0 0 0 0 2.1046 -0.1103 -0.5980 H 0 0 0 0 0 0 0 0 0 0.5641 -6.8191 0.9798 H 0 0 0 0 0 0 0 0 0 -1.1802 -8.4227 1.5001 H 0 0 0 0 0 0 0 0 0 -0.0512 1.0407 -0.4595 H 0 0 0 0 0 0 0 0 0 -3.5168 -7.7187 1.7300 H 0 0 0 0 0 0 0 0 0 -4.1252 -5.3509 1.4273 H 0 0 0 0 0 0 0 0 0 2.7228 -4.8395 -1.7987 H 0 0 0 0 0 0 0 0 0 2.9544 -3.8811 -3.2741 H 0 0 0 0 0 0 0 0 0 4.2754 -3.0419 -1.2928 H 0 0 0 0 0 0 0 0 0 3.1726 -1.8345 -1.9805 H 0 0 0 0 0 0 0 0 0 2.9809 -3.0082 0.6479 H 0 0 0 0 0 0 0 0 0 -2.8878 -2.5974 -4.8569 H 0 0 0 0 0 0 0 0 0 -3.2098 -4.2629 -4.3340 H 0 0 0 0 0 0 0 0 0 -3.0234 -2.9743 -3.1274 H 0 0 0 0 0 0 0 0 0 -2.9836 -0.3153 1.0765 H 0 0 0 0 0 0 0 0 0 -2.3030 1.0685 0.1976 H 0 0 0 0 0 0 0 0 0 -4.0904 0.1255 -0.8797 H 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 25 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 22 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 24 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 16 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 13 18 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 39 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 26 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 M END > 166381 > K $$$$ 166464 1016 111283D 166464 23 23 0 1 V2000 1.1176 7.4250 -4.2514 Cl 0 0 0 0 0 0 0 0 0 -2.3915 5.4991 -5.4567 C 0 0 0 0 0 0 0 0 0 -1.3364 5.2875 -4.5769 C 0 0 0 0 0 0 0 0 0 -2.3198 5.0759 -6.7773 C 0 0 0 0 0 0 0 0 0 -0.2086 4.6158 -5.0407 C 0 0 0 0 0 0 0 0 0 -1.1835 4.4238 -7.2387 C 0 0 0 0 0 0 0 0 0 -0.1313 4.1933 -6.3625 C 0 0 0 0 0 0 0 0 0 -1.0299 3.8681 -8.9311 S 0 0 0 0 0 0 0 0 0 -2.5611 4.3023 -9.8102 C 0 0 0 0 0 0 0 0 0 -1.4844 5.7546 -3.3005 N 0 0 0 0 0 0 0 0 0 -0.5150 6.1544 -2.4296 C 0 0 0 0 0 0 0 0 0 -0.8634 6.2951 -1.2826 O 0 0 0 0 0 0 0 0 0 0.9251 6.4423 -2.7526 C 0 0 0 0 0 0 0 0 0 -3.2564 5.9891 -5.1189 H 0 0 0 0 0 0 0 0 0 -3.1294 5.2542 -7.4197 H 0 0 0 0 0 0 0 0 0 0.5957 4.4156 -4.4007 H 0 0 0 0 0 0 0 0 0 0.7285 3.6954 -6.7040 H 0 0 0 0 0 0 0 0 0 -3.4046 3.8271 -9.3316 H 0 0 0 0 0 0 0 0 0 -2.6955 5.3740 -9.8063 H 0 0 0 0 0 0 0 0 0 -2.4938 3.9575 -10.8315 H 0 0 0 0 0 0 0 0 0 -2.3882 5.8213 -2.9543 H 0 0 0 0 0 0 0 0 0 1.4845 5.5233 -2.8286 H 0 0 0 0 0 0 0 0 0 1.3341 7.0076 -1.9283 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 15 1 0 0 0 0 5 7 2 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M END > 166464 > K $$$$ 168221 1016 111283D 168221 34 36 0 1 V2000 -1.9483 0.9232 -0.6641 N 0 0 0 0 0 0 0 0 0 -3.3295 -0.9716 -2.7164 S 0 0 0 0 0 0 0 0 0 -5.3608 2.4227 -2.5805 N 0 0 0 0 0 0 0 0 0 -3.5879 2.6797 -1.0309 C 0 0 0 0 0 0 0 0 0 -3.0870 1.4040 -1.3036 C 0 0 0 0 0 0 0 0 0 -4.7143 3.1778 -1.6704 C 0 0 0 0 0 0 0 0 0 -3.7989 0.6641 -2.2468 C 0 0 0 0 0 0 0 0 0 -4.9253 1.1799 -2.8737 C 0 0 0 0 0 0 0 0 0 -0.5837 -0.8754 0.2340 C 0 0 0 0 0 0 0 0 0 -1.5551 -0.4119 -0.6586 C 0 0 0 0 0 0 0 0 0 -0.1598 -2.1974 0.2606 C 0 0 0 0 0 0 0 0 0 -2.0880 -1.3672 -1.5251 C 0 0 0 0 0 0 0 0 0 -0.7082 -3.1182 -0.6166 C 0 0 0 0 0 0 0 0 0 -1.6778 -2.6943 -1.5107 C 0 0 0 0 0 0 0 0 0 -1.1141 1.8821 0.0475 C 0 0 0 0 0 0 0 0 0 -1.5625 2.0182 1.5043 C 0 0 0 0 0 0 0 0 0 -0.7319 2.9496 2.1692 O 0 0 0 0 0 0 0 0 0 -1.0683 3.0911 3.4797 C 0 0 0 0 0 0 0 0 0 -2.0080 2.4966 3.9522 O 0 0 0 0 0 0 0 0 0 -0.2632 3.9967 4.3539 C 0 0 0 0 0 0 0 0 0 -3.1288 3.3068 -0.3301 H 0 0 0 0 0 0 0 0 0 -5.0649 4.1427 -1.4467 H 0 0 0 0 0 0 0 0 0 -5.4431 0.6007 -3.5804 H 0 0 0 0 0 0 0 0 0 -0.1353 -0.2306 0.9258 H 0 0 0 0 0 0 0 0 0 0.5766 -2.4998 0.9461 H 0 0 0 0 0 0 0 0 0 -0.3946 -4.1207 -0.6041 H 0 0 0 0 0 0 0 0 0 -2.1049 -3.3810 -2.1807 H 0 0 0 0 0 0 0 0 0 -0.0711 1.6042 0.0199 H 0 0 0 0 0 0 0 0 0 -1.1294 2.8540 -0.4230 H 0 0 0 0 0 0 0 0 0 -2.5925 2.3431 1.5377 H 0 0 0 0 0 0 0 0 0 -1.5058 1.0546 1.9898 H 0 0 0 0 0 0 0 0 0 -0.6966 4.0190 5.3424 H 0 0 0 0 0 0 0 0 0 0.7480 3.6241 4.4096 H 0 0 0 0 0 0 0 0 0 -0.2623 4.9908 3.9343 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 6 2 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 M END > 168221 > K $$$$ 168415 1016 111283D 168415 30 31 0 1 V2000 -0.0493 1.3928 0.4585 O 0 0 0 0 0 0 0 0 0 1.7729 0.6999 -0.7717 N 0 0 0 0 0 0 0 0 0 1.1307 4.1659 0.4328 C 0 0 0 0 0 0 0 0 0 -1.0965 -0.8510 0.5201 C 0 0 0 0 0 0 0 0 0 -0.9683 -2.1802 0.1227 C 0 0 0 0 0 0 0 0 0 -0.1086 0.0546 0.1671 C 0 0 0 0 0 0 0 0 0 0.9821 -0.3560 -0.5666 C 0 0 0 0 0 0 0 0 0 0.1466 -2.5922 -0.6129 C 0 0 0 0 0 0 0 0 0 1.1304 -1.6733 -0.9701 C 0 0 0 0 0 0 0 0 0 1.1421 1.7201 -0.1535 C 0 0 0 0 0 0 0 0 0 -2.0501 -3.1554 0.5028 C 0 0 0 0 0 0 0 0 0 0.3128 -4.0269 -1.0369 C 0 0 0 0 0 0 0 0 0 1.7186 3.1036 -0.1476 C 0 0 0 0 0 0 0 0 0 1.7970 5.5170 0.3866 C 0 0 0 0 0 0 0 0 0 0.9662 6.4434 -0.2106 F 0 0 0 0 0 0 0 0 0 2.1041 5.9201 1.6703 F 0 0 0 0 0 0 0 0 0 2.9786 5.5463 -0.3297 F 0 0 0 0 0 0 0 0 0 -0.1954 4.0730 1.1465 C 0 0 0 0 0 0 0 0 0 -0.6382 5.2718 1.6714 F 0 0 0 0 0 0 0 0 0 -1.1803 3.6705 0.2666 F 0 0 0 0 0 0 0 0 0 -0.0973 3.2151 2.2238 F 0 0 0 0 0 0 0 0 0 -1.9245 -0.5274 1.0789 H 0 0 0 0 0 0 0 0 0 1.9694 -1.9626 -1.5316 H 0 0 0 0 0 0 0 0 0 -2.3819 -3.6951 -0.3722 H 0 0 0 0 0 0 0 0 0 -1.6633 -3.8552 1.2293 H 0 0 0 0 0 0 0 0 0 -2.8990 -2.6430 0.9324 H 0 0 0 0 0 0 0 0 0 -0.3633 -4.2392 -1.8523 H 0 0 0 0 0 0 0 0 0 1.3250 -4.2151 -1.3648 H 0 0 0 0 0 0 0 0 0 0.0946 -4.6875 -0.2108 H 0 0 0 0 0 0 0 0 0 2.6411 3.2249 -0.6340 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 2 7 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 8 9 2 0 0 0 0 9 23 1 0 0 0 0 10 13 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > 168415 > K $$$$ 168597 1016 111283D 168597 41 40 0 1 V2000 0.3346 -4.4844 -5.2770 C 0 0 0 0 0 0 0 0 0 0.5749 -5.9324 -5.7062 C 0 0 0 0 0 0 0 0 0 -0.4769 -6.3610 -6.7387 C 0 0 0 0 0 0 0 0 0 -0.1740 -7.7807 -7.2218 C 0 0 0 0 0 0 0 0 0 -0.4759 -11.4114 -6.4194 C 0 0 0 0 0 0 0 0 0 -0.5592 -9.2897 -5.5509 Pb 0 0 0 0 0 0 0 0 0 1.1633 -9.0214 -3.7617 Cl 0 0 0 0 0 0 0 0 0 -1.1309 -12.4034 -5.4567 C 0 0 0 0 0 0 0 0 0 -0.4873 -12.2693 -4.0752 C 0 0 0 0 0 0 0 0 0 -2.6394 -8.8706 -4.6999 C 0 0 0 0 0 0 0 0 0 -3.6548 -8.6162 -5.8356 C 0 0 0 0 0 0 0 0 0 -3.7214 -9.8531 -6.7293 C 0 0 0 0 0 0 0 0 0 -1.1397 -13.2599 -3.1096 C 0 0 0 0 0 0 0 0 0 -4.7259 -9.6070 -7.8563 C 0 0 0 0 0 0 0 0 0 0.3997 -3.8319 -6.1474 H 0 0 0 0 0 0 0 0 0 -0.6558 -4.3978 -4.8311 H 0 0 0 0 0 0 0 0 0 1.0888 -4.1921 -4.5467 H 0 0 0 0 0 0 0 0 0 1.5659 -6.0181 -6.1513 H 0 0 0 0 0 0 0 0 0 0.5106 -6.5858 -4.8363 H 0 0 0 0 0 0 0 0 0 -1.4715 -6.2956 -6.2724 H 0 0 0 0 0 0 0 0 0 -0.4459 -5.6681 -7.5844 H 0 0 0 0 0 0 0 0 0 -0.8182 -7.9768 -8.0900 H 0 0 0 0 0 0 0 0 0 0.8672 -7.8069 -7.5659 H 0 0 0 0 0 0 0 0 0 -0.9990 -11.4393 -7.3813 H 0 0 0 0 0 0 0 0 0 0.5640 -11.6964 -6.5745 H 0 0 0 0 0 0 0 0 0 -2.1969 -12.1913 -5.3833 H 0 0 0 0 0 0 0 0 0 -0.9876 -13.4191 -5.8269 H 0 0 0 0 0 0 0 0 0 0.5788 -12.4823 -4.1482 H 0 0 0 0 0 0 0 0 0 -0.6299 -11.2543 -3.7053 H 0 0 0 0 0 0 0 0 0 -2.9929 -9.7092 -4.0990 H 0 0 0 0 0 0 0 0 0 -2.6113 -7.9885 -4.0670 H 0 0 0 0 0 0 0 0 0 -4.6288 -8.4228 -5.3985 H 0 0 0 0 0 0 0 0 0 -3.3367 -7.7555 -6.4242 H 0 0 0 0 0 0 0 0 0 -2.7383 -10.0522 -7.1551 H 0 0 0 0 0 0 0 0 0 -4.0418 -10.7116 -6.1395 H 0 0 0 0 0 0 0 0 0 -2.2058 -13.0467 -3.0361 H 0 0 0 0 0 0 0 0 0 -0.9968 -14.2750 -3.4793 H 0 0 0 0 0 0 0 0 0 -0.6812 -13.1635 -2.1257 H 0 0 0 0 0 0 0 0 0 -4.4058 -8.7490 -8.4469 H 0 0 0 0 0 0 0 0 0 -4.7783 -10.4885 -8.4950 H 0 0 0 0 0 0 0 0 0 -5.7089 -9.4084 -7.4300 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 M END > 168597 > K $$$$ 169543 1016 111283D 169543 23 23 0 2 V2000 1.7225 -0.4019 -0.0166 S 0 0 0 0 0 0 0 0 0 -2.2410 -0.4633 0.0213 N 0 0 0 0 0 0 0 0 0 -0.0442 1.4682 0.0090 C 0 0 0 0 0 0 0 0 0 1.1822 2.1114 0.0003 C 0 0 0 0 0 0 0 0 0 0.0849 0.0887 0.0015 C 0 0 0 0 0 0 0 0 0 2.2440 1.2247 -0.0142 C 0 0 0 0 0 0 0 0 0 3.5374 1.6235 -0.0247 N 0 3 0 0 0 0 0 0 0 4.4631 0.7832 -0.0375 O 0 0 0 0 0 0 0 0 0 3.8313 3.0531 -0.0209 O 0 5 0 0 0 0 0 0 0 -1.0595 -0.8792 0.0080 C 0 0 0 0 0 0 0 0 0 -3.2504 -1.2211 0.0273 N 0 0 0 0 0 0 0 0 0 -4.5094 -0.7105 0.0419 C 0 0 0 0 0 0 0 0 0 -4.7385 0.8362 0.0518 S 0 0 0 0 0 0 0 0 0 -5.5522 -1.5866 0.0476 N 0 0 0 0 0 0 0 0 0 -6.9245 -1.1576 0.0629 C 0 0 0 0 0 0 0 0 0 -0.9678 1.9705 0.0203 H 0 0 0 0 0 0 0 0 0 1.3046 3.1552 0.0039 H 0 0 0 0 0 0 0 0 0 -0.8613 -1.9106 0.0013 H 0 0 0 0 0 0 0 0 0 -3.1518 -2.1873 0.0216 H 0 0 0 0 0 0 0 0 0 -5.3632 -2.5383 0.0410 H 0 0 0 0 0 0 0 0 0 -7.1199 -0.5709 0.9497 H 0 0 0 0 0 0 0 0 0 -7.1369 -0.5620 -0.8139 H 0 0 0 0 0 0 0 0 0 -7.5799 -2.0173 0.0649 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 3 5 2 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 6 2 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 M CHG 2 7 1 9 -1 M END > 169543 > K $$$$ 169600 1016 111283D 169600 47 49 1 1 V2000 -1.2362 -4.9959 0.6820 Br 0 0 0 0 0 0 0 0 0 -2.4133 -6.0780 -1.6844 O 0 0 0 0 0 0 0 0 0 -1.1677 -3.8613 -5.9453 C 0 0 0 0 0 0 0 0 0 -0.0520 -3.8693 -5.1196 C 0 0 0 0 0 0 0 0 0 -2.3636 -4.3848 -5.4663 C 0 0 0 0 0 0 0 0 0 -2.4234 -4.9100 -4.1833 C 0 0 0 0 0 0 0 0 0 -0.0935 -4.3725 -3.8195 C 0 0 0 0 0 0 0 0 0 -1.2965 -4.9084 -3.3701 C 0 0 0 0 0 0 0 0 0 1.1299 -4.3529 -2.9093 C 0 0 1 0 0 0 0 0 0 2.0036 -3.1200 -3.2253 C 0 0 0 0 0 0 0 0 0 3.2097 -2.9470 -2.3045 C 0 0 0 0 0 0 0 0 0 -1.4021 -5.4945 -1.9964 C 0 0 0 0 0 0 0 0 0 0.7352 -4.2806 -1.4014 C 0 0 1 0 0 0 0 0 0 2.7714 -2.9125 -0.8448 C 0 0 0 0 0 0 0 0 0 -0.2823 -5.3722 -1.0064 C 0 0 1 0 0 0 0 0 0 1.9552 -4.1525 -0.4434 C 0 0 1 0 0 0 0 0 0 1.6048 -3.9114 1.0328 C 0 0 0 0 0 0 0 0 0 1.8840 -5.6349 -3.3027 C 0 0 0 0 0 0 0 0 0 2.8163 -5.3905 -0.4467 C 0 0 0 0 0 0 0 0 0 2.3038 -6.4688 -0.2592 O 0 0 0 0 0 0 0 0 0 4.1574 -5.2961 -0.6590 O 0 0 0 0 0 0 0 0 0 4.7990 -6.5555 -0.7086 C 0 0 0 0 0 0 0 0 0 -0.9854 -3.3251 -7.1875 O 0 0 0 0 0 0 0 0 0 -2.0829 -3.2827 -8.0785 C 0 0 0 0 0 0 0 0 0 0.8345 -3.4766 -5.5164 H 0 0 0 0 0 0 0 0 0 -3.2255 -4.3886 -6.0644 H 0 0 0 0 0 0 0 0 0 -3.3276 -5.3102 -3.8264 H 0 0 0 0 0 0 0 0 0 2.4019 -3.1791 -4.2273 H 0 0 0 0 0 0 0 0 0 1.3910 -2.2314 -3.1523 H 0 0 0 0 0 0 0 0 0 3.9094 -3.7549 -2.4574 H 0 0 0 0 0 0 0 0 0 3.7088 -2.0186 -2.5435 H 0 0 0 0 0 0 0 0 0 0.1861 -3.3543 -1.2962 H 0 0 0 0 0 0 0 0 0 3.6562 -2.8325 -0.2278 H 0 0 0 0 0 0 0 0 0 2.1723 -2.0249 -0.6906 H 0 0 0 0 0 0 0 0 0 0.1962 -6.3365 -0.9367 H 0 0 0 0 0 0 0 0 0 1.2015 -4.8051 1.4849 H 0 0 0 0 0 0 0 0 0 2.4922 -3.6482 1.5922 H 0 0 0 0 0 0 0 0 0 0.8920 -3.1044 1.1242 H 0 0 0 0 0 0 0 0 0 1.9930 -5.6898 -4.3769 H 0 0 0 0 0 0 0 0 0 2.8770 -5.6634 -2.8857 H 0 0 0 0 0 0 0 0 0 1.3418 -6.5098 -2.9751 H 0 0 0 0 0 0 0 0 0 4.3430 -7.1915 -1.4553 H 0 0 0 0 0 0 0 0 0 5.8360 -6.4088 -0.9727 H 0 0 0 0 0 0 0 0 0 4.7493 -7.0460 0.2535 H 0 0 0 0 0 0 0 0 0 -1.7539 -2.8365 -9.0058 H 0 0 0 0 0 0 0 0 0 -2.4432 -4.2800 -8.2880 H 0 0 0 0 0 0 0 0 0 -2.8815 -2.6781 -7.6727 H 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 12 2 0 0 0 0 3 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 7 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 8 2 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 6 0 0 0 9 10 1 0 0 0 0 9 18 1 1 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 13 15 1 1 0 0 0 13 16 1 0 0 0 0 13 32 1 6 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 1 0 0 0 16 19 1 1 0 0 0 16 17 1 6 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 M END > 169600 > K $$$$ 169774 1016 111283D 169774 83 89 1 1 V2000 -11.8412 -13.3482 -6.0756 H 0 0 0 0 0 0 0 0 0 -10.8835 -19.4440 -10.6518 Br 0 0 0 0 0 0 0 0 0 -11.0353 -14.3877 -9.9550 H 0 0 0 0 0 0 0 0 0 -12.4799 -14.1773 -8.5022 N 0 0 0 0 0 0 0 0 0 -10.6876 -14.1200 -4.3657 O 0 0 0 0 0 0 0 0 0 -10.4114 -11.0002 -3.0273 O 0 0 0 0 0 0 0 0 0 -9.2129 -12.9584 -3.1695 N 0 0 0 0 0 0 0 0 0 -9.6777 -12.0658 -0.7338 H 0 0 0 0 0 0 0 0 0 -7.8033 -12.6431 -0.8184 N 0 0 0 0 0 0 0 0 0 -6.5145 -14.3376 -1.4013 O 0 0 0 0 0 0 0 0 0 -7.6791 -10.9382 0.6553 C 0 0 0 0 0 0 0 0 0 -6.8415 -12.1899 0.0714 C 0 0 0 0 0 0 0 0 0 -8.3364 -10.3719 -0.5884 C 0 0 0 0 0 0 0 0 0 -8.7487 -11.7698 -1.2679 C 0 0 1 0 0 0 0 0 0 -9.1057 -11.4718 -2.7479 C 0 0 2 0 0 0 0 0 0 -11.3602 -12.7971 -6.8207 C 0 0 1 0 0 0 0 0 0 -12.3335 -12.7967 -8.0447 C 0 0 0 0 0 0 0 0 0 -10.0655 -13.3945 -7.2054 C 0 0 0 0 0 0 0 0 0 -9.9809 -14.4239 -8.1752 C 0 0 0 0 0 0 0 0 0 -11.2372 -14.7568 -8.9633 C 0 0 1 0 0 0 0 0 0 -8.7123 -15.0194 -8.5417 C 0 0 0 0 0 0 0 0 0 -7.3829 -14.6354 -8.2340 C 0 0 0 0 0 0 0 0 0 -6.3248 -15.3658 -8.7447 C 0 0 0 0 0 0 0 0 0 -11.3515 -16.2815 -9.0978 C 0 0 0 0 0 0 0 0 0 -8.8626 -16.3531 -9.0833 C 0 0 0 0 0 0 0 0 0 -6.4617 -16.5653 -9.2966 C 0 0 0 0 0 0 0 0 0 -9.9816 -16.8925 -9.4418 C 0 0 0 0 0 0 0 0 0 -7.7743 -17.0726 -9.5374 C 0 0 0 0 0 0 0 0 0 -9.6529 -18.1504 -10.0398 C 0 0 0 0 0 0 0 0 0 -11.1582 -11.8123 -3.9017 C 0 0 2 0 0 0 0 0 0 -10.4163 -13.1041 -3.9076 C 0 0 0 0 0 0 0 0 0 -7.3111 -13.5371 -1.7031 C 0 0 0 0 0 0 0 0 0 -8.3622 -14.0113 -2.9151 C 0 0 2 0 0 0 0 0 0 -8.2684 -18.2080 -10.0339 N 0 0 0 0 0 0 0 0 0 -11.1330 -11.3720 -6.3556 C 0 0 0 0 0 0 0 0 0 -10.9155 -10.5260 -7.2285 O 0 0 0 0 0 0 0 0 0 -11.0408 -11.0039 -5.0616 N 0 0 0 0 0 0 0 0 0 -13.6163 -14.3059 -9.3871 C 0 0 0 0 0 0 0 0 0 -12.4682 -11.8706 -3.2378 C 0 0 0 0 0 0 0 0 0 -13.1862 -10.5420 -3.0100 C 0 0 0 0 0 0 0 0 0 -13.4961 -12.7877 -4.0135 C 0 0 0 0 0 0 0 0 0 -8.1302 -10.9499 -3.4606 O 0 0 0 0 0 0 0 0 0 -7.2573 -13.9598 -4.1729 C 0 0 0 0 0 0 0 0 0 -6.5131 -15.3925 -4.1879 C 0 0 0 0 0 0 0 0 0 -7.5266 -16.3297 -4.8488 C 0 0 0 0 0 0 0 0 0 -5.3182 -15.0945 -5.1718 C 0 0 0 0 0 0 0 0 0 -8.4547 -11.2815 1.3773 H 0 0 0 0 0 0 0 0 0 -6.9744 -10.1882 1.1670 H 0 0 0 0 0 0 0 0 0 -6.8440 -12.9655 0.9255 H 0 0 0 0 0 0 0 0 0 -5.9025 -11.8967 -0.1552 H 0 0 0 0 0 0 0 0 0 -9.1370 -9.7022 -0.3925 H 0 0 0 0 0 0 0 0 0 -7.5281 -9.9164 -1.2598 H 0 0 0 0 0 0 0 0 0 -11.9583 -12.1512 -8.8289 H 0 0 0 0 0 0 0 0 0 -13.2862 -12.3882 -7.6896 H 0 0 0 0 0 0 0 0 0 -9.2047 -13.2059 -6.6429 H 0 0 0 0 0 0 0 0 0 -7.2530 -13.6461 -7.8347 H 0 0 0 0 0 0 0 0 0 -5.3305 -15.0007 -8.4976 H 0 0 0 0 0 0 0 0 0 -11.6864 -16.7186 -8.1580 H 0 0 0 0 0 0 0 0 0 -12.0475 -16.5615 -9.8849 H 0 0 0 0 0 0 0 0 0 -5.6291 -17.1711 -9.6321 H 0 0 0 0 0 0 0 0 0 -8.7206 -14.8412 -2.7380 H 0 0 0 0 0 0 0 0 0 -7.7765 -18.9316 -10.4878 H 0 0 0 0 0 0 0 0 0 -11.0634 -9.9990 -4.9595 H 0 0 0 0 0 0 0 0 0 -13.4205 -13.8041 -10.3133 H 0 0 0 0 0 0 0 0 0 -13.8220 -15.3365 -9.5842 H 0 0 0 0 0 0 0 0 0 -14.4938 -13.8812 -8.9428 H 0 0 0 0 0 0 0 0 0 -12.3986 -12.4204 -2.3034 H 0 0 0 0 0 0 0 0 0 -14.1033 -10.6914 -2.5613 H 0 0 0 0 0 0 0 0 0 -12.5638 -10.0251 -2.3698 H 0 0 0 0 0 0 0 0 0 -13.2825 -10.0606 -3.8952 H 0 0 0 0 0 0 0 0 0 -14.4871 -12.8851 -3.5153 H 0 0 0 0 0 0 0 0 0 -13.6960 -12.3439 -5.0842 H 0 0 0 0 0 0 0 0 0 -13.0947 -13.8625 -4.1945 H 0 0 0 0 0 0 0 0 0 -8.4814 -10.7797 -4.3530 H 0 0 0 0 0 0 0 0 0 -7.9020 -13.7882 -5.0623 H 0 0 0 0 0 0 0 0 0 -6.5659 -13.1215 -4.0005 H 0 0 0 0 0 0 0 0 0 -6.2488 -15.5782 -3.2843 H 0 0 0 0 0 0 0 0 0 -6.9611 -17.3494 -4.9340 H 0 0 0 0 0 0 0 0 0 -8.3781 -16.5178 -4.1465 H 0 0 0 0 0 0 0 0 0 -7.8739 -16.0416 -5.7877 H 0 0 0 0 0 0 0 0 0 -4.8831 -16.0075 -5.3310 H 0 0 0 0 0 0 0 0 0 -5.5137 -14.5519 -5.8873 H 0 0 0 0 0 0 0 0 0 -4.6290 -14.5372 -4.5088 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 29 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 4 17 1 0 0 0 0 4 38 1 0 0 0 0 5 31 2 0 0 0 0 6 15 1 0 0 0 0 6 30 1 0 0 0 0 7 15 1 0 0 0 0 7 31 1 0 0 0 0 7 33 1 0 0 0 0 8 14 1 0 0 0 0 9 32 1 0 0 0 0 9 14 1 0 0 0 0 9 12 1 0 0 0 0 10 32 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 1 0 0 0 15 42 1 6 0 0 0 16 35 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 1 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 2 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 24 1 6 0 0 0 21 25 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 26 2 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 27 29 2 0 0 0 0 28 34 1 0 0 0 0 29 34 1 0 0 0 0 30 37 1 1 0 0 0 30 31 1 6 0 0 0 30 39 1 0 0 0 0 32 33 1 0 0 0 0 33 43 1 6 0 0 0 33 61 1 1 0 0 0 34 62 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 43 44 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 77 1 0 0 0 0 45 78 1 0 0 0 0 45 79 1 0 0 0 0 45 80 1 0 0 0 0 46 81 1 0 0 0 0 46 82 1 0 0 0 0 46 83 1 0 0 0 0 M END > 169774 > K $$$$ 169779 1016 111283D 169779 35 36 1 1 V2000 -1.1631 7.9668 -5.2725 O 0 0 0 0 0 0 0 0 0 -1.3072 8.5289 -0.9018 O 0 0 0 0 0 0 0 0 0 -1.0221 5.4754 -2.7210 N 0 0 0 0 0 0 0 0 0 -1.2460 3.7042 -0.4992 H 0 0 0 0 0 0 0 0 0 -0.6308 3.3926 -1.3337 C 0 0 1 0 0 0 0 0 0 0.7522 3.8015 -1.0604 N 0 0 0 0 0 0 0 0 0 3.9769 4.0982 -2.5939 O 0 0 0 0 0 0 0 0 0 3.0175 4.1459 1.7024 O 0 0 0 0 0 0 0 0 0 -1.4238 5.9819 -4.0387 C 0 0 0 0 0 0 0 0 0 1.2054 3.5739 0.3189 C 0 0 0 0 0 0 0 0 0 2.6314 3.9785 0.5716 C 0 0 0 0 0 0 0 0 0 -1.5098 6.2919 -1.6036 C 0 0 0 0 0 0 0 0 0 -1.3278 7.7675 -1.8377 C 0 0 0 0 0 0 0 0 0 1.7499 3.5334 -2.1030 C 0 0 0 0 0 0 0 0 0 3.1464 3.9486 -1.7314 C 0 0 0 0 0 0 0 0 0 -1.2490 7.4690 -4.1765 C 0 0 0 0 0 0 0 0 0 -1.1891 8.2706 -3.0873 N 0 0 0 0 0 0 0 0 0 -1.2318 4.0323 -2.5950 C 0 0 0 0 0 0 0 0 0 -0.7506 1.8685 -1.4469 C 0 0 0 0 0 0 0 0 0 3.5078 4.1566 -0.4442 N 0 0 0 0 0 0 0 0 0 -0.8351 5.5056 -4.8093 H 0 0 0 0 0 0 0 0 0 -2.4683 5.7699 -4.2171 H 0 0 0 0 0 0 0 0 0 0.5762 4.1276 1.0007 H 0 0 0 0 0 0 0 0 0 1.1496 2.5265 0.5722 H 0 0 0 0 0 0 0 0 0 -2.5653 6.1224 -1.4503 H 0 0 0 0 0 0 0 0 0 -0.9798 6.0382 -0.6978 H 0 0 0 0 0 0 0 0 0 1.7958 2.4767 -2.3165 H 0 0 0 0 0 0 0 0 0 1.4840 4.0619 -3.0059 H 0 0 0 0 0 0 0 0 0 -1.0434 9.2213 -3.2040 H 0 0 0 0 0 0 0 0 0 -2.2949 3.8308 -2.6061 H 0 0 0 0 0 0 0 0 0 -0.7986 3.5443 -3.4578 H 0 0 0 0 0 0 0 0 0 -0.3662 1.3941 -0.5574 H 0 0 0 0 0 0 0 0 0 -1.7873 1.5882 -1.5601 H 0 0 0 0 0 0 0 0 0 -0.1964 1.5069 -2.3014 H 0 0 0 0 0 0 0 0 0 4.4123 4.4413 -0.2458 H 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 13 2 0 0 0 0 3 18 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 5 18 1 0 0 0 0 5 19 1 6 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 15 2 0 0 0 0 8 11 2 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 M END > 169779 > K $$$$ 172924 1016 111283D 172924 69 73 1 1 V2000 4.0745 7.1644 -2.3852 O 0 0 0 0 0 0 0 0 0 4.0510 -0.6388 -2.9440 O 0 0 0 0 0 0 0 0 0 3.8480 0.7829 -6.7236 O 0 0 0 0 0 0 0 0 0 2.0605 -0.1295 -7.6495 O 0 0 0 0 0 0 0 0 0 2.6692 0.8798 -1.6951 C 0 0 1 0 0 0 0 0 0 3.8780 1.8160 -1.8255 C 0 0 1 0 0 0 0 0 0 2.7197 -0.1457 -2.8360 C 0 0 1 0 0 0 0 0 0 2.4754 0.5631 -4.1712 C 0 0 2 0 0 0 0 0 0 4.0824 2.3714 -3.2514 C 0 0 1 0 0 0 0 0 0 2.1506 -0.4125 -5.3121 C 0 0 1 0 0 0 0 0 0 3.8375 1.2506 -4.2977 C 0 0 1 0 0 0 0 0 0 4.7247 0.0404 -3.9871 C 0 0 0 0 0 0 0 0 0 3.4515 3.7637 -3.5508 C 0 0 1 0 0 0 0 0 0 4.1840 4.8479 -2.7244 C 0 0 0 0 0 0 0 0 0 3.8537 6.2504 -3.1443 C 0 0 0 0 0 0 0 0 0 2.6775 0.0919 -6.6357 C 0 0 0 0 0 0 0 0 0 4.0821 1.7542 -5.7217 C 0 0 2 0 0 0 0 0 0 3.6878 4.1411 -5.0345 C 0 0 1 0 0 0 0 0 0 3.2534 6.5167 -4.5005 C 0 0 0 0 0 0 0 0 0 3.2681 3.0223 -5.9997 C 0 0 0 0 0 0 0 0 0 3.1380 5.5121 -5.3838 C 0 0 0 0 0 0 0 0 0 2.8208 7.7597 -4.8443 O 0 0 0 0 0 0 0 0 0 2.4678 5.7756 -6.7066 C 0 0 0 0 0 0 0 0 0 1.9568 3.8513 -3.1891 C 0 0 0 0 0 0 0 0 0 3.8040 2.8513 -0.8720 O 0 0 0 0 0 0 0 0 0 2.7155 0.2397 -0.4353 O 0 0 0 0 0 0 0 0 0 1.6494 -1.1639 -2.5464 C 0 0 0 0 0 0 0 0 0 0.4948 -0.8255 -2.6760 O 0 0 0 0 0 0 0 0 0 1.9635 -2.4281 -2.1506 O 0 0 0 0 0 0 0 0 0 0.8855 -3.3302 -2.2890 C 0 0 0 0 0 0 0 0 0 2.7711 -1.6508 -5.0204 O 0 0 0 0 0 0 0 0 0 2.3965 -2.5949 -5.9191 C 0 0 0 0 0 0 0 0 0 1.2267 -2.6958 -6.2038 O 0 0 0 0 0 0 0 0 0 3.4430 -3.4740 -6.5311 C 0 0 0 0 0 0 0 0 0 3.1918 -4.3049 -7.5545 C 0 0 0 0 0 0 0 0 0 4.2897 -5.1810 -8.0876 C 0 0 0 0 0 0 0 0 0 1.8311 -4.3829 -8.1915 C 0 0 0 0 0 0 0 0 0 1.7478 1.4400 -1.7657 H 0 0 0 0 0 0 0 0 0 4.7442 1.2088 -1.5927 H 0 0 0 0 0 0 0 0 0 1.6595 1.2625 -4.1134 H 0 0 0 0 0 0 0 0 0 5.1452 2.5615 -3.3160 H 0 0 0 0 0 0 0 0 0 1.0760 -0.5304 -5.3748 H 0 0 0 0 0 0 0 0 0 5.7223 0.3308 -3.6892 H 0 0 0 0 0 0 0 0 0 4.8069 -0.6183 -4.8414 H 0 0 0 0 0 0 0 0 0 3.9394 4.7830 -1.6766 H 0 0 0 0 0 0 0 0 0 5.2536 4.7362 -2.8285 H 0 0 0 0 0 0 0 0 0 5.1267 2.0219 -5.8080 H 0 0 0 0 0 0 0 0 0 4.7565 4.2419 -5.1723 H 0 0 0 0 0 0 0 0 0 3.4786 3.3218 -7.0162 H 0 0 0 0 0 0 0 0 0 2.2097 2.8240 -5.9155 H 0 0 0 0 0 0 0 0 0 2.9716 8.3566 -4.1166 H 0 0 0 0 0 0 0 0 0 2.1186 6.7961 -6.7745 H 0 0 0 0 0 0 0 0 0 3.1639 5.5964 -7.5120 H 0 0 0 0 0 0 0 0 0 1.6152 5.1210 -6.8138 H 0 0 0 0 0 0 0 0 0 1.5892 4.8604 -3.3008 H 0 0 0 0 0 0 0 0 0 1.3512 3.2295 -3.8254 H 0 0 0 0 0 0 0 0 0 1.8031 3.5731 -2.1577 H 0 0 0 0 0 0 0 0 0 3.9938 2.4977 -0.0069 H 0 0 0 0 0 0 0 0 0 2.4515 0.8501 0.2457 H 0 0 0 0 0 0 0 0 0 0.5868 -3.4003 -3.3265 H 0 0 0 0 0 0 0 0 0 1.2080 -4.3060 -1.9569 H 0 0 0 0 0 0 0 0 0 0.0407 -3.0196 -1.6905 H 0 0 0 0 0 0 0 0 0 4.4117 -3.4231 -6.1310 H 0 0 0 0 0 0 0 0 0 5.1146 -5.2419 -7.3921 H 0 0 0 0 0 0 0 0 0 3.9087 -6.1762 -8.2639 H 0 0 0 0 0 0 0 0 0 4.6439 -4.7659 -9.0197 H 0 0 0 0 0 0 0 0 0 1.1253 -4.8044 -7.4899 H 0 0 0 0 0 0 0 0 0 1.5026 -3.3938 -8.4770 H 0 0 0 0 0 0 0 0 0 1.8621 -5.0057 -9.0734 H 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 16 2 0 0 0 0 5 26 1 0 0 0 0 5 7 1 1 0 0 0 5 6 1 6 0 0 0 5 38 1 0 0 0 0 6 25 1 6 0 0 0 6 9 1 1 0 0 0 6 39 1 0 0 0 0 7 27 1 1 0 0 0 7 8 1 0 0 0 0 8 10 1 1 0 0 0 8 11 1 6 0 0 0 8 40 1 0 0 0 0 9 11 1 1 0 0 0 9 13 1 6 0 0 0 9 41 1 0 0 0 0 10 31 1 0 0 0 0 10 16 1 1 0 0 0 10 42 1 0 0 0 0 11 17 1 1 0 0 0 11 12 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 18 1 1 0 0 0 13 14 1 6 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 6 0 0 0 18 21 1 6 0 0 0 18 20 1 1 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 21 2 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 29 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 M END > 172924 > K $$$$ 173904 1016 111283D 173904 60 61 1 1 V2000 -1.8689 -6.1809 1.7600 Cl 0 0 0 0 0 0 0 0 0 2.6809 -5.5343 3.7579 O 0 0 0 0 0 0 0 0 0 -2.7946 -3.9950 5.2476 C 0 0 0 0 0 0 0 0 0 -3.4875 -5.1190 5.6658 C 0 0 0 0 0 0 0 0 0 -3.0570 -3.4450 4.0020 C 0 0 0 0 0 0 0 0 0 -4.4409 -5.6935 4.8395 C 0 0 0 0 0 0 0 0 0 -4.0104 -4.0186 3.1751 C 0 0 0 0 0 0 0 0 0 -4.7024 -5.1432 3.5948 C 0 0 0 0 0 0 0 0 0 4.2547 -3.4906 1.4133 C 0 0 0 0 0 0 0 0 0 4.3531 -4.4967 2.3628 C 0 0 0 0 0 0 0 0 0 5.2345 -2.5146 1.3370 C 0 0 0 0 0 0 0 0 0 5.4326 -4.5292 3.2321 C 0 0 0 0 0 0 0 0 0 6.3135 -2.5457 2.2067 C 0 0 0 0 0 0 0 0 0 6.4122 -3.5523 3.1541 C 0 0 0 0 0 0 0 0 0 -2.3037 -2.2230 3.5452 C 0 0 0 0 0 0 0 0 0 -1.1046 -3.5855 1.8522 C 0 0 0 0 0 0 0 0 0 -1.7035 -3.2257 0.8677 O 0 0 0 0 0 0 0 0 0 -0.9344 -2.6357 3.0056 C 0 0 1 0 0 0 0 0 0 -0.2008 -1.4550 2.5704 N 0 0 0 0 0 0 0 0 0 -0.5363 -4.9776 1.9225 C 0 0 0 0 0 0 0 0 0 0.9829 -1.1348 3.1399 C 0 0 0 0 0 0 0 0 0 1.5527 -0.1131 2.8190 O 0 0 0 0 0 0 0 0 0 0.6340 -2.1761 5.3668 C 0 0 0 0 0 0 0 0 0 1.5908 -2.0478 4.1739 C 0 0 1 0 0 0 0 0 0 1.8258 -3.3597 3.5871 N 0 0 0 0 0 0 0 0 0 1.3162 -1.6794 6.6364 C 0 0 0 0 0 0 0 0 0 1.7090 -0.2116 6.4582 C 0 0 0 0 0 0 0 0 0 0.3549 -1.8141 7.8171 C 0 0 0 0 0 0 0 0 0 2.3650 -4.3501 4.3290 C 0 0 0 0 0 0 0 0 0 2.5631 -4.1746 5.5148 O 0 0 0 0 0 0 0 0 0 3.2851 -5.5564 2.4509 C 0 0 0 0 0 0 0 0 0 -2.0607 -3.5485 5.8859 H 0 0 0 0 0 0 0 0 0 -3.2855 -5.5444 6.6269 H 0 0 0 0 0 0 0 0 0 -4.9759 -6.5625 5.1632 H 0 0 0 0 0 0 0 0 0 -4.2112 -3.5926 2.2135 H 0 0 0 0 0 0 0 0 0 -5.4393 -5.5860 2.9572 H 0 0 0 0 0 0 0 0 0 3.4227 -3.4695 0.7403 H 0 0 0 0 0 0 0 0 0 5.1578 -1.7366 0.6060 H 0 0 0 0 0 0 0 0 0 5.5072 -5.3073 3.9636 H 0 0 0 0 0 0 0 0 0 7.0706 -1.7910 2.1471 H 0 0 0 0 0 0 0 0 0 7.2450 -3.5759 3.8260 H 0 0 0 0 0 0 0 0 0 -2.8627 -1.7261 2.7568 H 0 0 0 0 0 0 0 0 0 -2.1780 -1.5424 4.3831 H 0 0 0 0 0 0 0 0 0 -0.3878 -3.1464 3.7870 H 0 0 0 0 0 0 0 0 0 -0.5622 -0.8928 1.8653 H 0 0 0 0 0 0 0 0 0 -0.0373 -5.1195 2.8775 H 0 0 0 0 0 0 0 0 0 0.1778 -5.1175 1.1155 H 0 0 0 0 0 0 0 0 0 -0.2624 -1.5862 5.1782 H 0 0 0 0 0 0 0 0 0 0.3517 -3.2219 5.4912 H 0 0 0 0 0 0 0 0 0 2.5329 -1.6311 4.5124 H 0 0 0 0 0 0 0 0 0 1.5944 -3.5294 2.6599 H 0 0 0 0 0 0 0 0 0 2.2069 -2.2748 6.8206 H 0 0 0 0 0 0 0 0 0 2.1983 0.1421 7.3613 H 0 0 0 0 0 0 0 0 0 2.3919 -0.1128 5.6195 H 0 0 0 0 0 0 0 0 0 0.8185 0.3822 6.2697 H 0 0 0 0 0 0 0 0 0 0.5509 -1.0208 8.5341 H 0 0 0 0 0 0 0 0 0 -0.6704 -1.7367 7.4637 H 0 0 0 0 0 0 0 0 0 0.5018 -2.7789 8.2955 H 0 0 0 0 0 0 0 0 0 3.7354 -6.5335 2.2762 H 0 0 0 0 0 0 0 0 0 2.5306 -5.3725 1.6904 H 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 29 1 0 0 0 0 2 31 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 6 1 0 0 0 0 4 33 1 0 0 0 0 5 15 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 37 1 0 0 0 0 10 31 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 18 44 1 6 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 1 0 0 0 24 50 1 6 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 M END > 173904 > K $$$$ 173905 1016 111283D 173905 49 49 1 1 V2000 0.3253 -1.7425 0.8540 Cl 0 0 0 0 0 0 0 0 0 6.8613 -1.6436 2.9866 C 0 0 0 0 0 0 0 0 0 8.1582 -1.2016 2.7612 C 0 0 0 0 0 0 0 0 0 5.7829 -0.7973 2.7536 C 0 0 0 0 0 0 0 0 0 8.3813 0.0889 2.2999 C 0 0 0 0 0 0 0 0 0 6.0095 0.4927 2.2873 C 0 0 0 0 0 0 0 0 0 7.3065 0.9356 2.0627 C 0 0 0 0 0 0 0 0 0 4.3818 -1.2842 3.0035 C 0 0 0 0 0 0 0 0 0 2.5875 -2.7073 1.9569 C 0 0 0 0 0 0 0 0 0 2.6125 -3.9088 1.8326 O 0 0 0 0 0 0 0 0 0 3.8514 -1.9284 1.7216 C 0 0 1 0 0 0 0 0 0 3.6602 -0.9132 0.7159 N 0 0 0 0 0 0 0 0 0 1.3018 -2.0384 2.3378 C 0 0 0 0 0 0 0 0 0 4.1649 -0.9675 -0.5456 C 0 0 0 0 0 0 0 0 0 3.9825 0.0074 -1.2329 O 0 0 0 0 0 0 0 0 0 4.6073 -2.3869 -2.5058 N 0 0 0 0 0 0 0 0 0 4.9204 -2.1440 -1.1184 C 0 0 1 0 0 0 0 0 0 3.3547 -2.6737 -2.9489 C 0 0 0 0 0 0 0 0 0 3.2196 -2.8999 -4.1261 O 0 0 0 0 0 0 0 0 0 2.1486 -2.7205 -2.0580 C 0 0 0 0 0 0 0 0 0 6.4106 -1.8549 -0.8967 C 0 0 0 0 0 0 0 0 0 7.3774 -2.9689 -1.3185 C 0 0 0 0 0 0 0 0 0 8.8147 -2.5250 -1.0329 C 0 0 0 0 0 0 0 0 0 7.1004 -4.2913 -0.5995 C 0 0 0 0 0 0 0 0 0 6.7000 -2.6214 3.3354 H 0 0 0 0 0 0 0 0 0 8.9704 -1.8435 2.9396 H 0 0 0 0 0 0 0 0 0 9.3623 0.4245 2.1309 H 0 0 0 0 0 0 0 0 0 5.2015 1.1386 2.1036 H 0 0 0 0 0 0 0 0 0 7.4748 1.9119 1.7131 H 0 0 0 0 0 0 0 0 0 4.3946 -2.0124 3.8022 H 0 0 0 0 0 0 0 0 0 3.7465 -0.4616 3.2987 H 0 0 0 0 0 0 0 0 0 4.5918 -2.6586 1.4327 H 0 0 0 0 0 0 0 0 0 3.1369 -0.1257 0.9347 H 0 0 0 0 0 0 0 0 0 1.4933 -1.0988 2.8328 H 0 0 0 0 0 0 0 0 0 0.7523 -2.6882 3.0023 H 0 0 0 0 0 0 0 0 0 5.3097 -2.3496 -3.1731 H 0 0 0 0 0 0 0 0 0 4.6466 -3.0357 -0.5782 H 0 0 0 0 0 0 0 0 0 2.3518 -3.3152 -1.1804 H 0 0 0 0 0 0 0 0 0 1.8876 -1.7145 -1.7660 H 0 0 0 0 0 0 0 0 0 1.3215 -3.1534 -2.5998 H 0 0 0 0 0 0 0 0 0 6.6596 -0.9598 -1.4498 H 0 0 0 0 0 0 0 0 0 6.5699 -1.6543 0.1528 H 0 0 0 0 0 0 0 0 0 7.2858 -3.1331 -2.3827 H 0 0 0 0 0 0 0 0 0 9.5078 -3.2821 -1.3706 H 0 0 0 0 0 0 0 0 0 9.0282 -1.6037 -1.5556 H 0 0 0 0 0 0 0 0 0 8.9554 -2.3681 0.0271 H 0 0 0 0 0 0 0 0 0 7.1441 -4.1522 0.4712 H 0 0 0 0 0 0 0 0 0 6.1252 -4.6668 -0.8719 H 0 0 0 0 0 0 0 0 0 7.8378 -5.0255 -0.8909 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 4 8 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 6 0 0 0 11 32 1 1 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 6 0 0 0 17 37 1 1 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 M END > 173905 > K $$$$ 174163 1016 111283D 174163 19 20 0 2 V2000 -1.1704 -0.5817 0.0064 H 0 3 0 0 0 0 0 0 0 -2.3963 -1.1349 0.0111 Cl 0 0 0 0 0 0 0 0 0 -0.2063 1.3101 0.0085 C 0 0 0 0 0 0 0 0 0 -0.2439 -0.0805 0.0015 C 0 0 0 0 0 0 0 0 0 1.0141 1.9747 0.0013 C 0 0 0 0 0 0 0 0 0 1.0561 3.3646 0.0085 C 0 0 0 0 0 0 0 0 0 2.2776 4.0249 0.0005 C 0 0 0 0 0 0 0 0 0 0.9418 -0.8076 -0.0119 C 0 0 0 0 0 0 0 0 0 2.2022 1.2451 -0.0131 C 0 0 0 0 0 0 0 0 0 3.4605 3.2984 -0.0145 C 0 0 0 0 0 0 0 0 0 2.1614 -0.1440 -0.0193 C 0 0 0 0 0 0 0 0 0 3.4232 1.9103 -0.0213 C 0 0 0 0 0 0 0 0 0 -1.0991 1.8681 0.0192 H 0 0 0 0 0 0 0 0 0 0.1682 3.9273 0.0198 H 0 0 0 0 0 0 0 0 0 2.3082 5.0757 0.0059 H 0 0 0 0 0 0 0 0 0 0.9303 -1.8603 -0.0167 H 0 0 0 0 0 0 0 0 0 4.3843 3.7999 -0.0209 H 0 0 0 0 0 0 0 0 0 3.0565 -0.6971 -0.0295 H 0 0 0 0 0 0 0 0 0 4.3251 1.3700 -0.0325 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 11 2 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 M CHG 1 1 1 M END > 174163 > K $$$$ 174176 1016 111283D 174176 34 34 0 2 V2000 1.4589 3.7372 -0.2003 H 0 3 0 0 0 0 0 0 0 0.0817 2.1314 -0.0855 C 0 0 0 0 0 0 0 0 0 1.3536 2.6864 -0.1520 C 0 0 0 0 0 0 0 0 0 -0.0581 0.7472 -0.0064 C 0 0 0 0 0 0 0 0 0 2.4898 1.8879 -0.1546 C 0 0 0 0 0 0 0 0 0 1.0799 -0.0605 0.0395 C 0 0 0 0 0 0 0 0 0 2.3522 0.5049 -0.0628 C 0 0 0 0 0 0 0 0 0 -1.4324 0.1177 0.0324 C 0 0 0 0 0 0 0 0 0 0.9493 -1.5593 0.1974 C 0 0 0 0 0 0 0 0 0 -1.1172 3.0470 -0.1014 C 0 0 0 0 0 0 0 0 0 3.5709 -0.3890 -0.0705 C 0 0 0 0 0 0 0 0 0 3.8418 2.5466 -0.2578 C 0 0 0 0 0 0 0 0 0 1.4863 4.5603 -0.6915 O 0 0 0 0 0 0 0 0 0 1.5547 5.4828 0.2889 C 0 0 0 0 0 0 0 0 0 1.6453 5.0105 1.3925 O 0 0 0 0 0 0 0 0 0 1.5219 6.9601 0.0415 C 0 0 0 0 0 0 0 0 0 -1.4733 -0.7138 -0.6565 H 0 0 0 0 0 0 0 0 0 -1.6348 -0.2409 1.0314 H 0 0 0 0 0 0 0 0 0 -2.2181 0.8014 -0.2498 H 0 0 0 0 0 0 0 0 0 1.0443 -2.0301 -0.7704 H 0 0 0 0 0 0 0 0 0 1.7200 -1.9401 0.8511 H 0 0 0 0 0 0 0 0 0 0.0050 -1.8463 0.6342 H 0 0 0 0 0 0 0 0 0 -1.7324 2.8551 0.7663 H 0 0 0 0 0 0 0 0 0 -0.8403 4.0903 -0.0897 H 0 0 0 0 0 0 0 0 0 -1.7019 2.8640 -0.9917 H 0 0 0 0 0 0 0 0 0 3.7180 -0.8006 0.9173 H 0 0 0 0 0 0 0 0 0 3.4276 -1.1977 -0.7725 H 0 0 0 0 0 0 0 0 0 4.4718 0.1304 -0.3565 H 0 0 0 0 0 0 0 0 0 4.4540 2.2511 0.5826 H 0 0 0 0 0 0 0 0 0 4.3220 2.2351 -1.1749 H 0 0 0 0 0 0 0 0 0 3.7715 3.6241 -0.2626 H 0 0 0 0 0 0 0 0 0 2.5333 7.3347 -0.0173 H 0 0 0 0 0 0 0 0 0 1.0075 7.1657 -0.8858 H 0 0 0 0 0 0 0 0 0 1.0087 7.4497 0.8564 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 3 1 0 0 0 0 2 10 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 4 6 2 0 0 0 0 5 12 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 M CHG 1 1 1 M END > 174176 > K $$$$ 174280 1016 111283D 174280 14 13 0 1 V2000 -0.0002 1.5291 0.0103 C 0 0 0 0 0 0 0 0 0 -0.0098 -0.0007 0.0021 C 0 0 0 0 0 0 0 0 0 -1.4384 -0.5401 0.0129 C 0 0 0 0 0 0 0 0 0 1.3926 2.0841 -0.0001 C 0 0 0 0 0 0 0 0 0 2.3779 1.3333 -0.0135 O 0 0 0 0 0 0 0 0 0 1.5787 3.4247 0.0054 O 0 0 0 0 0 0 0 0 0 -0.5187 1.8998 -0.8619 H 0 0 0 0 0 0 0 0 0 -0.5020 1.8904 0.8960 H 0 0 0 0 0 0 0 0 0 0.4958 -0.3600 -0.8833 H 0 0 0 0 0 0 0 0 0 0.5126 -0.3694 0.8738 H 0 0 0 0 0 0 0 0 0 -1.9532 -0.2020 0.9007 H 0 0 0 0 0 0 0 0 0 -1.9701 -0.1926 -0.8612 H 0 0 0 0 0 0 0 0 0 -1.4167 -1.6203 0.0069 H 0 0 0 0 0 0 0 0 0 2.5172 3.5746 -0.0028 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 6 14 1 0 0 0 0 M END > 174280 > K $$$$ 175274 1016 111283D 175274 33 35 0 1 V2000 -0.4090 -0.2087 -0.6936 H 0 0 0 0 0 0 0 0 0 -0.3302 0.7544 -0.6097 N 0 0 0 0 0 0 0 0 0 -2.5428 1.2484 -0.3195 O 0 0 0 0 0 0 0 0 0 -3.4176 3.0619 0.8855 N 0 0 0 0 0 0 0 0 0 2.1725 1.0305 -0.8696 C 0 0 0 0 0 0 0 0 0 3.2040 1.9534 -0.8986 C 0 0 0 0 0 0 0 0 0 0.8620 1.4571 -0.6794 C 0 0 0 0 0 0 0 0 0 2.9439 3.3083 -0.7392 C 0 0 0 0 0 0 0 0 0 0.6066 2.8232 -0.5187 C 0 0 0 0 0 0 0 0 0 1.6461 3.7478 -0.5487 C 0 0 0 0 0 0 0 0 0 -0.8581 2.9596 -0.3380 C 0 0 0 0 0 0 0 0 0 -1.3769 1.5809 -0.4154 C 0 0 0 0 0 0 0 0 0 -4.4260 4.9802 -1.6293 C 0 0 0 0 0 0 0 0 0 -3.8877 5.0889 -0.3474 C 0 0 0 0 0 0 0 0 0 -5.2868 5.9556 -2.0973 C 0 0 0 0 0 0 0 0 0 -4.2088 6.1840 0.4529 C 0 0 0 0 0 0 0 0 0 -5.6089 7.0412 -1.2971 C 0 0 0 0 0 0 0 0 0 -5.0705 7.1541 -0.0246 C 0 0 0 0 0 0 0 0 0 -4.8080 2.9276 1.0998 N 0 0 0 0 0 0 0 0 0 -2.9663 4.0419 0.1613 C 0 0 0 0 0 0 0 0 0 -1.5716 4.1141 -0.1442 C 0 0 0 0 0 0 0 0 0 2.3880 -0.0147 -0.9948 H 0 0 0 0 0 0 0 0 0 4.2146 1.6197 -1.0458 H 0 0 0 0 0 0 0 0 0 3.7527 4.0157 -0.7637 H 0 0 0 0 0 0 0 0 0 1.4452 4.7958 -0.4247 H 0 0 0 0 0 0 0 0 0 -4.1747 4.1408 -2.2521 H 0 0 0 0 0 0 0 0 0 -5.7072 5.8728 -3.0827 H 0 0 0 0 0 0 0 0 0 -3.7929 6.2721 1.4401 H 0 0 0 0 0 0 0 0 0 -6.2772 7.7975 -1.6646 H 0 0 0 0 0 0 0 0 0 -5.3236 7.9975 0.5913 H 0 0 0 0 0 0 0 0 0 -5.4154 3.6106 0.7661 H 0 0 0 0 0 0 0 0 0 -5.1553 2.1543 1.5777 H 0 0 0 0 0 0 0 0 0 -1.0925 5.0711 -0.2233 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 12 1 0 0 0 0 2 7 1 0 0 0 0 3 12 2 0 0 0 0 4 19 1 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 20 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 M END > 175274 > K $$$$ 175296 1016 111283D 175296 35 36 0 1 V2000 3.1146 1.5197 1.5690 O 0 0 0 0 0 0 0 0 0 3.5714 6.6060 3.0547 C 0 0 0 0 0 0 0 0 0 4.0035 7.9161 3.2096 C 0 0 0 0 0 0 0 0 0 4.2762 5.7251 2.2398 C 0 0 0 0 0 0 0 0 0 5.1390 8.3722 2.5556 C 0 0 0 0 0 0 0 0 0 5.4079 6.1831 1.5754 C 0 0 0 0 0 0 0 0 0 5.8382 7.4946 1.7320 C 0 0 0 0 0 0 0 0 0 2.5066 -0.6780 0.8577 C 0 0 0 0 0 0 0 0 0 2.3514 -2.0313 1.1415 C 0 0 0 0 0 0 0 0 0 2.9669 0.1924 1.8370 C 0 0 0 0 0 0 0 0 0 3.2811 -0.3014 3.0985 C 0 0 0 0 0 0 0 0 0 2.6632 -2.5103 2.4072 C 0 0 0 0 0 0 0 0 0 3.1310 -1.6503 3.3907 C 0 0 0 0 0 0 0 0 0 1.8998 -2.9196 0.2177 O 0 0 0 0 0 0 0 0 0 3.4310 -2.1521 4.6172 O 0 0 0 0 0 0 0 0 0 2.4508 2.3041 2.4645 C 0 0 0 0 0 0 0 0 0 1.5473 1.8525 3.1274 O 0 0 0 0 0 0 0 0 0 2.8093 3.7415 2.6616 C 0 0 0 0 0 0 0 0 0 3.8663 4.2876 2.0456 C 0 0 0 0 0 0 0 0 0 5.4800 9.6732 2.7838 O 0 0 0 0 0 0 0 0 0 6.5104 10.2455 2.0032 C 0 0 0 0 0 0 0 0 0 2.7071 6.3002 3.5638 H 0 0 0 0 0 0 0 0 0 3.4685 8.5747 3.8280 H 0 0 0 0 0 0 0 0 0 5.9468 5.5350 0.9481 H 0 0 0 0 0 0 0 0 0 6.6973 7.8138 1.2223 H 0 0 0 0 0 0 0 0 0 2.2751 -0.3090 -0.0967 H 0 0 0 0 0 0 0 0 0 3.6355 0.3545 3.8367 H 0 0 0 0 0 0 0 0 0 2.5449 -3.5302 2.6232 H 0 0 0 0 0 0 0 0 0 1.7033 -2.4872 -0.6061 H 0 0 0 0 0 0 0 0 0 3.7254 -1.4620 5.2032 H 0 0 0 0 0 0 0 0 0 2.2049 4.3078 3.3030 H 0 0 0 0 0 0 0 0 0 4.4366 3.6856 1.3992 H 0 0 0 0 0 0 0 0 0 6.2931 10.1486 0.9486 H 0 0 0 0 0 0 0 0 0 6.5745 11.2966 2.2434 H 0 0 0 0 0 0 0 0 0 7.4596 9.7813 2.2294 H 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 4 2 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 5 2 0 0 0 0 3 23 1 0 0 0 0 4 19 1 0 0 0 0 4 6 1 0 0 0 0 5 20 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 14 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END > 175296 > K $$$$ 175634 1016 111283D 175634 29 31 1 1 V2000 -0.0197 0.1487 -0.5200 H 0 0 0 0 0 0 0 0 0 -0.0308 1.0906 -0.2829 N 0 0 0 0 0 0 0 0 0 -0.1332 4.4851 1.7801 O 0 0 0 0 0 0 0 0 0 -1.2647 2.8522 0.8080 N 0 0 0 0 0 0 0 0 0 -2.0789 3.1576 1.2363 H 0 0 0 0 0 0 0 0 0 -2.7235 1.6074 -2.5616 S 0 0 0 0 0 0 0 0 0 2.3181 1.2319 -0.6656 C 0 0 0 0 0 0 0 0 0 1.1445 1.7669 -0.1514 C 0 0 0 0 0 0 0 0 0 3.5058 1.9459 -0.5745 C 0 0 0 0 0 0 0 0 0 1.1759 2.9960 0.4957 C 0 0 0 0 0 0 0 0 0 3.5259 3.1892 0.0450 C 0 0 0 0 0 0 0 0 0 -0.1078 3.5042 1.0767 C 0 0 0 0 0 0 0 0 0 2.3612 3.7135 0.5906 C 0 0 0 0 0 0 0 0 0 -1.5828 2.2699 -1.4755 C 0 0 0 0 0 0 0 0 0 -0.9346 3.3679 -2.0185 C 0 0 0 0 0 0 0 0 0 -1.3002 1.7381 -0.0994 C 0 0 1 0 0 0 0 0 0 -1.3628 3.6656 -3.2976 C 0 0 0 0 0 0 0 0 0 -2.3429 2.7927 -3.7341 C 0 0 0 0 0 0 0 0 0 -2.9864 2.8883 -5.0801 C 0 0 0 0 0 0 0 0 0 2.3049 0.2882 -1.1261 H 0 0 0 0 0 0 0 0 0 4.3892 1.5441 -0.9757 H 0 0 0 0 0 0 0 0 0 4.4226 3.7330 0.1012 H 0 0 0 0 0 0 0 0 0 2.3756 4.6477 1.0714 H 0 0 0 0 0 0 0 0 0 -0.1964 3.9220 -1.5207 H 0 0 0 0 0 0 0 0 0 -2.0630 1.0283 0.1956 H 0 0 0 0 0 0 0 0 0 -0.9844 4.4629 -3.8667 H 0 0 0 0 0 0 0 0 0 -3.7247 2.1085 -5.1887 H 0 0 0 0 0 0 0 0 0 -3.4621 3.8532 -5.1769 H 0 0 0 0 0 0 0 0 0 -2.2295 2.7796 -5.8429 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 16 1 0 0 0 0 2 8 1 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 4 5 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 20 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 1 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END > 175634 > K $$$$ 175636 1016 111283D 175636 35 38 1 1 V2000 5.1773 4.3111 -0.0862 Cl 0 0 0 0 0 0 0 0 0 0.0742 1.4036 0.1517 N 0 0 0 0 0 0 0 0 0 -0.7531 1.8769 0.3396 H 0 0 0 0 0 0 0 0 0 3.0147 -0.3165 -1.8785 O 0 0 0 0 0 0 0 0 0 1.0293 -0.5211 -0.9250 N 0 0 0 0 0 0 0 0 0 0.8958 -1.3711 -1.3712 H 0 0 0 0 0 0 0 0 0 -1.3338 -1.3132 4.5873 C 0 0 0 0 0 0 0 0 0 -2.6595 -1.0342 4.2907 C 0 0 0 0 0 0 0 0 0 -0.3493 -1.1352 3.6234 C 0 0 0 0 0 0 0 0 0 0.9682 -1.4230 3.9562 C 0 0 0 0 0 0 0 0 0 1.9706 -1.2579 3.0154 C 0 0 0 0 0 0 0 0 0 -2.9987 -0.5727 3.0275 C 0 0 0 0 0 0 0 0 0 -0.6789 -0.6761 2.3461 C 0 0 0 0 0 0 0 0 0 1.6463 -0.8087 1.7465 C 0 0 0 0 0 0 0 0 0 -2.0145 -0.3928 2.0652 C 0 0 0 0 0 0 0 0 0 0.3306 -0.5156 1.3947 C 0 0 0 0 0 0 0 0 0 0.0408 -0.0250 -0.0073 C 0 0 1 0 0 0 0 0 0 1.3403 3.3758 0.5997 C 0 0 0 0 0 0 0 0 0 1.2412 2.0990 0.0624 C 0 0 0 0 0 0 0 0 0 2.5504 4.0559 0.5505 C 0 0 0 0 0 0 0 0 0 2.3414 1.5300 -0.5667 C 0 0 0 0 0 0 0 0 0 3.6566 3.4682 -0.0504 C 0 0 0 0 0 0 0 0 0 3.5515 2.2076 -0.6231 C 0 0 0 0 0 0 0 0 0 2.1653 0.1734 -1.1740 C 0 0 0 0 0 0 0 0 0 -1.0779 -1.6601 5.5452 H 0 0 0 0 0 0 0 0 0 -3.4018 -1.1719 5.0204 H 0 0 0 0 0 0 0 0 0 1.2140 -1.7660 4.9178 H 0 0 0 0 0 0 0 0 0 2.9701 -1.4708 3.2585 H 0 0 0 0 0 0 0 0 0 -4.0015 -0.3594 2.7992 H 0 0 0 0 0 0 0 0 0 2.4283 -0.6976 1.0584 H 0 0 0 0 0 0 0 0 0 -2.3076 -0.0378 1.1231 H 0 0 0 0 0 0 0 0 0 -0.9303 -0.3562 -0.3509 H 0 0 0 0 0 0 0 0 0 0.5011 3.8236 1.0453 H 0 0 0 0 0 0 0 0 0 2.6294 5.0156 0.9691 H 0 0 0 0 0 0 0 0 0 4.3817 1.7684 -1.0935 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 2 3 1 0 0 0 0 4 24 2 0 0 0 0 5 24 1 0 0 0 0 5 17 1 0 0 0 0 5 6 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 9 13 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 12 15 2 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 32 1 6 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 24 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 23 35 1 0 0 0 0 M END > 175636 > K $$$$ 176324 1016 111283D 176324 19 19 1 1 V2000 -1.2498 -1.1179 0.5121 Cl 0 0 0 0 0 0 0 0 0 -0.0001 1.2129 0.6024 N 0 0 0 0 0 0 0 0 0 1.2439 1.8739 0.4830 O 0 0 0 0 0 0 0 0 0 2.9973 1.3617 -1.3943 H 0 0 0 0 0 0 0 0 0 3.3949 1.1665 -0.4091 C 0 0 2 0 0 0 0 0 0 0.0959 -0.0178 0.4282 C 0 0 0 0 0 0 0 0 0 1.4951 -0.4439 0.1343 C 0 0 1 0 0 0 0 0 0 2.2196 0.8484 0.5180 C 0 0 2 0 0 0 0 0 0 1.9821 -1.5381 0.8874 O 0 0 0 0 0 0 0 0 0 4.3562 0.0676 -0.4938 N 0 0 0 0 0 0 0 0 0 4.0475 2.4378 0.0577 C 0 0 0 0 0 0 0 0 0 5.2116 2.4273 0.4816 O 0 0 0 0 0 0 0 0 0 3.3690 3.6091 0.0206 O 0 0 0 0 0 0 0 0 0 1.5654 -0.6284 -0.9278 H 0 0 0 0 0 0 0 0 0 2.5718 0.7457 1.5354 H 0 0 0 0 0 0 0 0 0 1.4406 -2.3048 0.7224 H 0 0 0 0 0 0 0 0 0 4.8267 -0.0960 0.3749 H 0 0 0 0 0 0 0 0 0 3.9539 -0.7820 -0.8369 H 0 0 0 0 0 0 0 0 0 3.9423 4.2791 0.3745 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 2 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 8 1 1 0 0 0 6 7 1 0 0 0 0 7 9 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 6 0 0 0 8 15 1 1 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 19 1 0 0 0 0 M END > 176324 > K $$$$ 176655 1016 111283D 176655 31 34 0 1 V2000 3.3565 5.3758 0.1865 O 0 0 0 0 0 0 0 0 0 3.4119 5.9258 2.4309 N 0 0 0 0 0 0 0 0 0 0.7459 5.2671 2.4250 H 0 0 0 0 0 0 0 0 0 1.2221 5.1622 1.4966 C 0 0 0 0 0 0 0 0 0 0.5601 4.7388 0.4107 C 0 0 0 0 0 0 0 0 0 1.0970 4.6523 -0.4895 H 0 0 0 0 0 0 0 0 0 -3.9835 4.1152 2.3965 O 0 0 0 0 0 0 0 0 0 -4.8946 3.3996 0.3385 O 0 0 0 0 0 0 0 0 0 -1.7116 4.4567 1.5289 C 0 0 0 0 0 0 0 0 0 -3.0493 4.1065 1.4219 C 0 0 0 0 0 0 0 0 0 -0.9034 4.3789 0.3959 C 0 0 0 0 0 0 0 0 0 -3.5812 3.6887 0.2241 C 0 0 0 0 0 0 0 0 0 -1.4496 3.9530 -0.8138 C 0 0 0 0 0 0 0 0 0 -2.7922 3.6044 -0.9121 C 0 0 0 0 0 0 0 0 0 5.7491 5.8793 -0.1916 C 0 0 0 0 0 0 0 0 0 6.9253 6.3143 0.4113 C 0 0 0 0 0 0 0 0 0 4.6042 5.7801 0.5846 C 0 0 0 0 0 0 0 0 0 4.6342 6.1066 1.9239 C 0 0 0 0 0 0 0 0 0 6.9501 6.6417 1.7650 C 0 0 0 0 0 0 0 0 0 5.7986 6.5404 2.5395 C 0 0 0 0 0 0 0 0 0 -5.1424 3.6490 1.7163 C 0 0 0 0 0 0 0 0 0 2.6777 5.4943 1.3835 C 0 0 0 0 0 0 0 0 0 -1.3357 4.7717 2.4559 H 0 0 0 0 0 0 0 0 0 -0.8417 3.8924 -1.6690 H 0 0 0 0 0 0 0 0 0 -3.2042 3.2840 -1.8228 H 0 0 0 0 0 0 0 0 0 5.7218 5.6301 -1.2112 H 0 0 0 0 0 0 0 0 0 7.8027 6.3963 -0.1609 H 0 0 0 0 0 0 0 0 0 7.8466 6.9681 2.2053 H 0 0 0 0 0 0 0 0 0 5.8063 6.7843 3.5607 H 0 0 0 0 0 0 0 0 0 -5.4785 2.7327 2.1821 H 0 0 0 0 0 0 0 0 0 -5.9291 4.3854 1.8080 H 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 22 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 4 22 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 M END > 176655 > K $$$$ 178249 1016 111283D 178249 40 44 1 1 V2000 8.8764 25.8934 0.2844 O 0 0 0 0 0 0 0 0 0 11.2448 24.0109 1.2385 H 0 0 0 0 0 0 0 0 0 8.8956 23.9644 0.9843 H 0 0 0 0 0 0 0 0 0 8.6069 25.3387 2.4892 O 0 0 0 0 0 0 0 0 0 13.2125 25.4394 2.9718 O 0 0 0 0 0 0 0 0 0 13.0659 26.7710 6.7806 O 0 0 0 0 0 0 0 0 0 16.7820 25.5950 3.5729 C 0 0 0 0 0 0 0 0 0 15.5571 25.3905 2.9459 C 0 0 0 0 0 0 0 0 0 16.8288 26.0578 4.8794 C 0 0 0 0 0 0 0 0 0 15.6616 26.3225 5.5803 C 0 0 0 0 0 0 0 0 0 14.3829 25.6571 3.6450 C 0 0 0 0 0 0 0 0 0 14.4299 26.1192 4.9585 C 0 0 0 0 0 0 0 0 0 13.1169 26.3757 5.6409 C 0 0 0 0 0 0 0 0 0 11.8598 26.1277 4.8698 C 0 0 0 0 0 0 0 0 0 12.0091 25.6706 3.5662 C 0 0 0 0 0 0 0 0 0 10.8630 25.4354 2.8261 C 0 0 0 0 0 0 0 0 0 10.5977 26.3415 5.4224 C 0 0 0 0 0 0 0 0 0 9.6076 25.6324 3.3533 C 0 0 0 0 0 0 0 0 0 10.7700 24.9628 1.4257 C 0 0 1 0 0 0 0 0 0 9.2385 24.9479 1.2766 C 0 0 2 0 0 0 0 0 0 11.1172 26.0346 0.4574 C 0 0 0 0 0 0 0 0 0 10.0174 26.4991 -0.1333 C 0 0 0 0 0 0 0 0 0 9.4614 26.0895 4.6535 C 0 0 0 0 0 0 0 0 0 15.4275 24.9361 1.6622 O 0 0 0 0 0 0 0 0 0 16.5859 24.5770 0.9343 C 0 0 0 0 0 0 0 0 0 10.5538 26.7932 6.7095 O 0 0 0 0 0 0 0 0 0 9.3000 27.0474 7.3122 C 0 0 0 0 0 0 0 0 0 15.8499 26.7699 6.8508 O 0 0 0 0 0 0 0 0 0 17.6815 25.4029 3.0688 H 0 0 0 0 0 0 0 0 0 17.7556 26.2113 5.3488 H 0 0 0 0 0 0 0 0 0 12.0923 26.3765 0.2695 H 0 0 0 0 0 0 0 0 0 10.0297 27.2627 -0.8554 H 0 0 0 0 0 0 0 0 0 8.4967 26.2378 5.0359 H 0 0 0 0 0 0 0 0 0 17.1436 23.8091 1.4519 H 0 0 0 0 0 0 0 0 0 16.2801 24.1866 -0.0256 H 0 0 0 0 0 0 0 0 0 17.2127 25.4419 0.7699 H 0 0 0 0 0 0 0 0 0 8.7609 27.8088 6.7663 H 0 0 0 0 0 0 0 0 0 8.7116 26.1424 7.3636 H 0 0 0 0 0 0 0 0 0 9.4708 27.4021 8.3183 H 0 0 0 0 0 0 0 0 0 15.0357 26.9554 7.3019 H 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 29 1 0 0 0 0 8 24 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 28 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 17 26 1 0 0 0 0 17 23 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 24 25 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END > 178249 > K $$$$ 180973 1016 111283D 180973 57 59 0 1 V2000 -6.8269 24.0788 -13.4312 O 0 0 0 0 0 0 0 0 0 -7.8911 18.6941 -12.2778 C 0 0 0 0 0 0 0 0 0 -6.8672 17.8291 -12.0748 C 0 0 0 0 0 0 0 0 0 -8.2422 22.1781 -13.6353 C 0 0 0 0 0 0 0 0 0 -7.0849 22.7745 -13.1515 C 0 0 0 0 0 0 0 0 0 -8.5071 20.8552 -13.3543 C 0 0 0 0 0 0 0 0 0 -7.6104 20.1143 -12.5822 C 0 0 0 0 0 0 0 0 0 -6.1905 22.0410 -12.3833 C 0 0 0 0 0 0 0 0 0 -6.4484 20.7172 -12.0978 C 0 0 0 0 0 0 0 0 0 -4.7171 26.9566 -12.3792 N 0 0 0 0 0 0 0 0 0 -3.4514 26.7648 -13.0999 C 0 0 0 0 0 0 0 0 0 -5.0396 28.3870 -12.4659 C 0 0 0 0 0 0 0 0 0 -5.7500 26.2438 -13.1430 C 0 0 0 0 0 0 0 0 0 -5.7324 24.7615 -12.7645 C 0 0 0 0 0 0 0 0 0 -9.2898 18.2176 -12.1950 C 0 0 0 0 0 0 0 0 0 -9.6684 17.0407 -12.8417 C 0 0 0 0 0 0 0 0 0 -10.9740 16.6016 -12.7601 C 0 0 0 0 0 0 0 0 0 -11.9066 17.3255 -12.0392 C 0 0 0 0 0 0 0 0 0 -11.5375 18.4937 -11.3956 C 0 0 0 0 0 0 0 0 0 -10.2344 18.9406 -11.4649 C 0 0 0 0 0 0 0 0 0 -5.5924 18.0194 -12.7829 C 0 0 0 0 0 0 0 0 0 -5.5784 18.5633 -14.0713 C 0 0 0 0 0 0 0 0 0 -4.3788 18.7385 -14.7287 C 0 0 0 0 0 0 0 0 0 -3.1912 18.3776 -14.1170 C 0 0 0 0 0 0 0 0 0 -3.1966 17.8385 -12.8419 C 0 0 0 0 0 0 0 0 0 -4.3869 17.6624 -12.1691 C 0 0 0 0 0 0 0 0 0 -7.0354 16.6725 -11.1235 C 0 0 0 0 0 0 0 0 0 -7.0576 17.1941 -9.6853 C 0 0 0 0 0 0 0 0 0 -8.9376 22.7531 -14.2288 H 0 0 0 0 0 0 0 0 0 -9.4074 20.3922 -13.7306 H 0 0 0 0 0 0 0 0 0 -5.2916 22.5082 -12.0088 H 0 0 0 0 0 0 0 0 0 -5.7525 20.1475 -11.4999 H 0 0 0 0 0 0 0 0 0 -2.6497 27.2781 -12.5692 H 0 0 0 0 0 0 0 0 0 -3.2247 25.7003 -13.1592 H 0 0 0 0 0 0 0 0 0 -3.5409 27.1737 -14.1064 H 0 0 0 0 0 0 0 0 0 -6.0172 28.5669 -12.0185 H 0 0 0 0 0 0 0 0 0 -4.2841 28.9629 -11.9316 H 0 0 0 0 0 0 0 0 0 -5.0571 28.6929 -13.5120 H 0 0 0 0 0 0 0 0 0 -6.7282 26.6660 -12.9128 H 0 0 0 0 0 0 0 0 0 -5.5506 26.3489 -14.2094 H 0 0 0 0 0 0 0 0 0 -5.8451 24.6607 -11.6850 H 0 0 0 0 0 0 0 0 0 -4.7857 24.3187 -13.0740 H 0 0 0 0 0 0 0 0 0 -8.9413 16.4748 -13.4050 H 0 0 0 0 0 0 0 0 0 -11.2684 15.6909 -13.2605 H 0 0 0 0 0 0 0 0 0 -12.9273 16.9778 -11.9787 H 0 0 0 0 0 0 0 0 0 -12.2704 19.0546 -10.8347 H 0 0 0 0 0 0 0 0 0 -9.9465 19.8501 -10.9585 H 0 0 0 0 0 0 0 0 0 -6.5044 18.8452 -14.5503 H 0 0 0 0 0 0 0 0 0 -4.3662 19.1581 -15.7238 H 0 0 0 0 0 0 0 0 0 -2.2551 18.5170 -14.6371 H 0 0 0 0 0 0 0 0 0 -2.2656 17.5591 -12.3714 H 0 0 0 0 0 0 0 0 0 -4.3892 17.2462 -11.1725 H 0 0 0 0 0 0 0 0 0 -7.9723 16.1586 -11.3382 H 0 0 0 0 0 0 0 0 0 -6.2040 15.9780 -11.2452 H 0 0 0 0 0 0 0 0 0 -7.9295 17.8327 -9.5439 H 0 0 0 0 0 0 0 0 0 -7.1077 16.3526 -8.9943 H 0 0 0 0 0 0 0 0 0 -6.1515 17.7686 -9.4930 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 2 3 2 0 0 0 0 3 21 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 29 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END > 180973 > K $$$$ 181486 1016 111283D 181486 76 83 1 1 V2000 3.5848 1.2570 6.1018 H 0 0 0 0 0 0 0 0 0 3.6933 2.0628 6.6870 N 0 0 0 0 0 0 0 0 0 2.8303 4.0575 12.3892 O 0 0 0 0 0 0 0 0 0 4.2470 6.3073 11.4034 O 0 0 0 0 0 0 0 0 0 -0.2714 -0.8279 10.7931 O 0 0 0 0 0 0 0 0 0 1.4942 4.0840 16.3688 N 0 0 0 0 0 0 0 0 0 0.8139 -1.2211 10.0495 C 0 0 0 0 0 0 0 0 0 1.7189 -0.2592 9.6135 C 0 0 0 0 0 0 0 0 0 1.0366 -2.5547 9.7125 C 0 0 0 0 0 0 0 0 0 2.8832 -0.5803 8.9330 C 0 0 0 0 0 0 0 0 0 2.1802 -2.8844 8.9855 C 0 0 0 0 0 0 0 0 0 3.8784 0.4967 8.5685 C 0 0 0 0 0 0 0 0 0 3.1006 -1.9126 8.6075 C 0 0 0 0 0 0 0 0 0 3.2678 1.8188 8.0633 C 0 0 1 0 0 0 0 0 0 3.5611 2.9988 8.9719 C 0 0 0 0 0 0 0 0 0 3.0917 3.0197 10.2824 C 0 0 0 0 0 0 0 0 0 3.3166 4.1060 11.1152 C 0 0 0 0 0 0 0 0 0 4.0240 5.2035 10.6348 C 0 0 0 0 0 0 0 0 0 4.3055 4.0835 8.5122 C 0 0 0 0 0 0 0 0 0 4.5202 5.1813 9.3389 C 0 0 0 0 0 0 0 0 0 4.8872 4.0950 7.1236 C 0 0 0 0 0 0 0 0 0 -0.0994 0.2473 11.6268 C 0 0 0 0 0 0 0 0 0 1.0943 0.4482 12.3135 C 0 0 0 0 0 0 0 0 0 -1.1231 1.1679 11.8064 C 0 0 0 0 0 0 0 0 0 1.2846 1.5610 13.1180 C 0 0 0 0 0 0 0 0 0 -0.9399 2.2763 12.6274 C 0 0 0 0 0 0 0 0 0 0.2668 2.4939 13.2878 C 0 0 0 0 0 0 0 0 0 0.4033 3.7298 14.1524 C 0 0 0 0 0 0 0 0 0 1.7168 3.9877 14.9245 C 0 0 1 0 0 0 0 0 0 2.4334 5.2131 14.4081 C 0 0 0 0 0 0 0 0 0 2.9882 5.1931 13.1330 C 0 0 0 0 0 0 0 0 0 2.5436 6.3576 15.1925 C 0 0 0 0 0 0 0 0 0 0.9046 5.3365 16.8232 C 0 0 0 0 0 0 0 0 0 1.9371 6.4323 16.5697 C 0 0 0 0 0 0 0 0 0 3.2304 7.4612 14.7035 C 0 0 0 0 0 0 0 0 0 3.6783 6.3049 12.6482 C 0 0 0 0 0 0 0 0 0 3.8022 7.4468 13.4346 C 0 0 0 0 0 0 0 0 0 4.9993 2.6875 6.5441 C 0 0 0 0 0 0 0 0 0 0.1256 -3.4929 10.1138 O 0 0 0 0 0 0 0 0 0 -0.0409 -4.6575 9.3258 C 0 0 0 0 0 0 0 0 0 4.4901 8.5070 12.9100 O 0 0 0 0 0 0 0 0 0 4.4057 9.7687 13.5442 C 0 0 0 0 0 0 0 0 0 1.0604 2.8694 17.0521 C 0 0 0 0 0 0 0 0 0 1.5032 0.7421 9.8135 H 0 0 0 0 0 0 0 0 0 2.3598 -3.8826 8.7168 H 0 0 0 0 0 0 0 0 0 4.4835 0.6897 9.4427 H 0 0 0 0 0 0 0 0 0 4.5415 0.1065 7.8103 H 0 0 0 0 0 0 0 0 0 3.9632 -2.1858 8.0732 H 0 0 0 0 0 0 0 0 0 2.1932 1.7233 8.0048 H 0 0 0 0 0 0 0 0 0 2.5557 2.2134 10.6735 H 0 0 0 0 0 0 0 0 0 5.0633 6.0091 8.9891 H 0 0 0 0 0 0 0 0 0 4.2360 4.6792 6.4896 H 0 0 0 0 0 0 0 0 0 5.8676 4.5495 7.1337 H 0 0 0 0 0 0 0 0 0 1.8718 -0.2510 12.2232 H 0 0 0 0 0 0 0 0 0 -2.0393 1.0220 11.3150 H 0 0 0 0 0 0 0 0 0 2.2149 1.6673 13.5848 H 0 0 0 0 0 0 0 0 0 -1.7291 2.9594 12.7477 H 0 0 0 0 0 0 0 0 0 0.1968 4.5836 13.5227 H 0 0 0 0 0 0 0 0 0 -0.4012 3.6852 14.8710 H 0 0 0 0 0 0 0 0 0 2.4173 3.1802 14.8053 H 0 0 0 0 0 0 0 0 0 -0.0064 5.5447 16.2796 H 0 0 0 0 0 0 0 0 0 0.6821 5.3073 17.8808 H 0 0 0 0 0 0 0 0 0 2.7373 6.3162 17.2865 H 0 0 0 0 0 0 0 0 0 1.4705 7.3951 16.7218 H 0 0 0 0 0 0 0 0 0 3.3150 8.3144 15.3079 H 0 0 0 0 0 0 0 0 0 5.7527 2.1216 7.0747 H 0 0 0 0 0 0 0 0 0 5.2752 2.7510 5.5009 H 0 0 0 0 0 0 0 0 0 -0.1408 -4.4150 8.2761 H 0 0 0 0 0 0 0 0 0 0.7890 -5.3327 9.4733 H 0 0 0 0 0 0 0 0 0 -0.9459 -5.1574 9.6404 H 0 0 0 0 0 0 0 0 0 4.9089 10.4979 12.9260 H 0 0 0 0 0 0 0 0 0 3.3752 10.0749 13.6605 H 0 0 0 0 0 0 0 0 0 4.8947 9.7408 14.5073 H 0 0 0 0 0 0 0 0 0 1.6747 2.0345 16.7462 H 0 0 0 0 0 0 0 0 0 1.1658 2.9929 18.1204 H 0 0 0 0 0 0 0 0 0 0.0276 2.6490 16.8252 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 14 1 0 0 0 0 2 38 1 0 0 0 0 3 17 1 0 0 0 0 3 31 1 0 0 0 0 4 18 1 0 0 0 0 4 36 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 6 29 1 0 0 0 0 6 33 1 0 0 0 0 6 43 1 0 0 0 0 7 9 2 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 8 44 1 0 0 0 0 9 39 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 1 0 0 0 14 49 1 6 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 20 51 1 0 0 0 0 21 38 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 24 2 0 0 0 0 22 23 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 6 0 0 0 29 60 1 1 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 36 2 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 37 2 0 0 0 0 35 65 1 0 0 0 0 36 37 1 0 0 0 0 37 41 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 39 40 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 42 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 M END > 181486 > K $$$$ 182986 1016 111283D 182986 46 48 0 1 V2000 -5.6851 -0.8171 7.3678 N 0 0 0 0 0 0 0 0 0 -4.3019 -3.1798 8.2849 O 0 0 0 0 0 0 0 0 0 -9.4799 -3.5979 7.7833 O 0 0 0 0 0 0 0 0 0 -8.1048 -5.9886 8.5081 N 0 0 0 0 0 0 0 0 0 -6.1971 -4.5153 8.6926 C 0 0 0 0 0 0 0 0 0 -5.5097 -3.2346 8.2719 C 0 0 0 0 0 0 0 0 0 -7.4982 -4.6802 8.4172 C 0 0 0 0 0 0 0 0 0 -6.3123 -2.0332 7.8378 C 0 0 0 0 0 0 0 0 0 -8.2997 -3.4733 8.0139 C 0 0 0 0 0 0 0 0 0 -7.6507 -2.1116 7.8932 C 0 0 0 0 0 0 0 0 0 -8.2031 -6.5997 9.8283 C 0 0 0 0 0 0 0 0 0 -9.4256 -6.0491 9.1238 C 0 0 0 0 0 0 0 0 0 -5.6710 0.3351 8.2606 C 0 0 0 0 0 0 0 0 0 -4.4043 -0.4373 7.9537 C 0 0 0 0 0 0 0 0 0 -5.5206 -5.5022 9.3467 N 0 0 0 0 0 0 0 0 0 -8.4100 -0.9764 7.8417 N 0 0 0 0 0 0 0 0 0 -4.6128 -5.1709 10.2912 C 0 0 0 0 0 0 0 0 0 -3.8820 -6.0163 10.7477 O 0 0 0 0 0 0 0 0 0 -9.5876 -0.9142 8.5082 C 0 0 0 0 0 0 0 0 0 -9.8560 -1.7754 9.3123 O 0 0 0 0 0 0 0 0 0 -10.4517 0.1074 8.2772 O 0 0 0 0 0 0 0 0 0 -11.6821 -0.1115 8.9412 C 0 0 0 0 0 0 0 0 0 -12.6955 0.9283 8.4836 C 0 0 0 0 0 0 0 0 0 -4.5687 -3.8752 10.6990 O 0 0 0 0 0 0 0 0 0 -3.4224 -3.5533 11.4547 C 0 0 0 0 0 0 0 0 0 -3.5300 -2.0782 11.8249 C 0 0 0 0 0 0 0 0 0 -8.1002 -7.6756 9.8323 H 0 0 0 0 0 0 0 0 0 -7.8135 -6.0224 10.6548 H 0 0 0 0 0 0 0 0 0 -9.8308 -5.1402 9.5453 H 0 0 0 0 0 0 0 0 0 -10.0943 -6.7828 8.6974 H 0 0 0 0 0 0 0 0 0 -5.7519 1.2976 7.7751 H 0 0 0 0 0 0 0 0 0 -6.0974 0.1939 9.2434 H 0 0 0 0 0 0 0 0 0 -4.0186 -1.0169 8.7783 H 0 0 0 0 0 0 0 0 0 -3.7136 0.0381 7.2721 H 0 0 0 0 0 0 0 0 0 -5.6816 -6.4382 9.1571 H 0 0 0 0 0 0 0 0 0 -8.1213 -0.1995 7.3407 H 0 0 0 0 0 0 0 0 0 -12.0803 -1.0923 8.7115 H 0 0 0 0 0 0 0 0 0 -11.5444 -0.0301 10.0112 H 0 0 0 0 0 0 0 0 0 -12.2921 1.9180 8.6373 H 0 0 0 0 0 0 0 0 0 -12.9068 0.7841 7.4341 H 0 0 0 0 0 0 0 0 0 -13.6082 0.8168 9.0511 H 0 0 0 0 0 0 0 0 0 -3.3776 -4.1499 12.3555 H 0 0 0 0 0 0 0 0 0 -2.5243 -3.7073 10.8704 H 0 0 0 0 0 0 0 0 0 -3.5191 -1.4771 10.9282 H 0 0 0 0 0 0 0 0 0 -4.4568 -1.9071 12.3527 H 0 0 0 0 0 0 0 0 0 -2.6991 -1.7939 12.4535 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 6 2 0 0 0 0 3 9 2 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 24 1 0 0 0 0 17 18 2 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END > 182986 > K $$$$ 183359 1016 111283D 183359 52 53 0 1 V2000 2.4772 2.1988 -8.0275 S 0 0 0 0 0 0 0 0 0 1.2662 2.1733 -6.0426 Sn 0 0 0 0 0 0 0 0 0 2.0492 0.0817 -5.7057 N 0 0 0 0 0 0 0 0 0 1.9323 -3.5019 -4.9006 C 0 0 0 0 0 0 0 0 0 1.1229 -2.3841 -4.7831 C 0 0 0 0 0 0 0 0 0 1.3787 -4.7237 -5.2334 C 0 0 0 0 0 0 0 0 0 -0.2431 -2.4959 -4.9767 C 0 0 0 0 0 0 0 0 0 0.0144 -4.8323 -5.4392 C 0 0 0 0 0 0 0 0 0 -0.7961 -3.7186 -5.3100 C 0 0 0 0 0 0 0 0 0 3.6777 0.8104 -7.7349 C 0 0 0 0 0 0 0 0 0 2.8172 -0.1156 -6.9843 C 0 0 0 0 0 0 0 0 0 5.4786 2.3521 -3.6013 C 0 0 0 0 0 0 0 0 0 4.0041 2.2131 -3.9796 C 0 0 0 0 0 0 0 0 0 3.4877 3.5390 -4.5355 C 0 0 0 0 0 0 0 0 0 1.9540 3.5528 -4.6150 C 0 0 0 0 0 0 0 0 0 1.8413 -0.7406 -4.4662 S 0 0 0 0 0 0 0 0 0 3.0033 -1.0034 -3.6255 O 0 0 0 0 0 0 0 0 0 0.8733 -0.1030 -3.5479 O 0 0 0 0 0 0 0 0 0 -0.8118 2.1819 -6.3299 C 0 0 0 0 0 0 0 0 0 -1.2812 3.5785 -6.4915 C 0 0 0 0 0 0 0 0 0 -0.5071 4.2504 -7.6394 C 0 0 0 0 0 0 0 0 0 -0.9760 5.6939 -7.8227 C 0 0 0 0 0 0 0 0 0 -0.5887 -6.1646 -5.8017 C 0 0 0 0 0 0 0 0 0 2.9942 -3.4151 -4.7448 H 0 0 0 0 0 0 0 0 0 2.0088 -5.5911 -5.3335 H 0 0 0 0 0 0 0 0 0 -0.8729 -1.6285 -4.8764 H 0 0 0 0 0 0 0 0 0 -1.8576 -3.8039 -5.4693 H 0 0 0 0 0 0 0 0 0 4.0047 0.3896 -8.6685 H 0 0 0 0 0 0 0 0 0 4.4940 1.2035 -7.1562 H 0 0 0 0 0 0 0 0 0 3.4600 -0.9751 -6.7087 H 0 0 0 0 0 0 0 0 0 2.0747 -0.5487 -7.6413 H 0 0 0 0 0 0 0 0 0 5.5874 3.1274 -2.8445 H 0 0 0 0 0 0 0 0 0 5.8428 1.4051 -3.2060 H 0 0 0 0 0 0 0 0 0 6.0561 2.6230 -4.4839 H 0 0 0 0 0 0 0 0 0 3.8953 1.4370 -4.7363 H 0 0 0 0 0 0 0 0 0 3.4254 1.9417 -3.0977 H 0 0 0 0 0 0 0 0 0 3.8255 4.3578 -3.8965 H 0 0 0 0 0 0 0 0 0 3.8809 3.6895 -5.5435 H 0 0 0 0 0 0 0 0 0 1.6011 4.4937 -4.8359 H 0 0 0 0 0 0 0 0 0 1.5694 3.2379 -3.5843 H 0 0 0 0 0 0 0 0 0 -1.0915 1.5739 -7.2008 H 0 0 0 0 0 0 0 0 0 -1.3179 1.7097 -5.4333 H 0 0 0 0 0 0 0 0 0 -2.3522 3.6158 -6.7296 H 0 0 0 0 0 0 0 0 0 -1.1120 4.1521 -5.5744 H 0 0 0 0 0 0 0 0 0 0.5555 4.2472 -7.4040 H 0 0 0 0 0 0 0 0 0 -0.6753 3.6919 -8.5587 H 0 0 0 0 0 0 0 0 0 -0.4182 6.1563 -8.6357 H 0 0 0 0 0 0 0 0 0 -2.0385 5.7018 -8.0610 H 0 0 0 0 0 0 0 0 0 -0.8059 6.2512 -6.9027 H 0 0 0 0 0 0 0 0 0 -0.8675 -6.6957 -4.8930 H 0 0 0 0 0 0 0 0 0 -1.4737 -6.0072 -6.4162 H 0 0 0 0 0 0 0 0 0 0.1391 -6.7534 -6.3576 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 3 16 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 5 16 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 6 25 1 0 0 0 0 7 9 2 0 0 0 0 7 26 1 0 0 0 0 8 23 1 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 M END > 183359 > K $$$$ 184398 1016 111283D 184398 61 65 1 1 V2000 -0.0501 1.9059 0.2339 O 0 0 0 0 0 0 0 0 0 -4.9996 2.2046 -0.7660 O 0 0 0 0 0 0 0 0 0 -5.5949 -1.8760 2.4917 O 0 0 0 0 0 0 0 0 0 -8.0619 -0.7792 1.4307 C 0 0 1 0 0 0 0 0 0 -7.3577 -3.0547 1.5345 O 0 0 0 0 0 0 0 0 0 -9.1288 -0.2768 0.4330 C 0 0 1 0 0 0 0 0 0 -10.8041 -1.8760 1.5101 C 0 0 1 0 0 0 0 0 0 -8.2757 -2.2801 1.4097 C 0 0 0 0 0 0 0 0 0 -9.6532 -2.8584 1.2260 C 0 0 0 0 0 0 0 0 0 -10.4920 -0.4180 1.1225 C 0 0 0 0 0 0 0 0 0 -6.6633 -0.3003 1.0996 C 0 0 0 0 0 0 0 0 0 -5.4605 -1.0086 1.6629 C 0 0 0 0 0 0 0 0 0 -4.0737 -0.6464 1.2069 C 0 0 0 0 0 0 0 0 0 -2.9923 -1.4156 1.6177 C 0 0 0 0 0 0 0 0 0 -1.7046 -1.0584 1.2441 C 0 0 0 0 0 0 0 0 0 -1.4972 0.0702 0.4609 C 0 0 0 0 0 0 0 0 0 -3.8756 0.4532 0.3783 C 0 0 0 0 0 0 0 0 0 -6.4719 0.7680 0.3081 C 0 0 0 0 0 0 0 0 0 -8.8806 1.0919 -0.1333 C 0 0 0 0 0 0 0 0 0 -0.0977 0.4975 0.1114 C 0 0 1 0 0 0 0 0 0 0.2867 0.0663 -1.3059 C 0 0 0 0 0 0 0 0 0 -2.5814 0.8105 -0.0008 C 0 0 0 0 0 0 0 0 0 -5.0912 1.2166 -0.0780 C 0 0 0 0 0 0 0 0 0 -7.6317 1.5613 -0.2245 C 0 0 0 0 0 0 0 0 0 1.6784 0.6228 -1.6090 C 0 0 1 0 0 0 0 0 0 1.2172 2.4748 -0.0297 C 0 0 1 0 0 0 0 0 0 1.6695 2.1476 -1.4580 C 0 0 1 0 0 0 0 0 0 1.0277 3.9734 0.1843 C 0 0 0 0 0 0 0 0 0 2.9527 2.6604 -1.7595 O 0 0 0 0 0 0 0 0 0 2.5903 0.0335 -0.7034 O 0 0 0 0 0 0 0 0 0 -2.3014 1.8626 -0.8175 O 0 0 0 0 0 0 0 0 0 -8.3383 -0.2695 2.7238 O 0 0 0 0 0 0 0 0 0 -9.0890 -1.0854 -0.7263 O 0 0 0 0 0 0 0 0 0 -11.9060 -2.2406 0.7069 O 0 0 0 0 0 0 0 0 0 -11.2494 -1.9711 2.9729 C 0 0 0 0 0 0 0 0 0 -9.7591 -3.7575 1.8146 H 0 0 0 0 0 0 0 0 0 -9.7199 -3.1408 0.1858 H 0 0 0 0 0 0 0 0 0 -10.4971 0.2133 2.0006 H 0 0 0 0 0 0 0 0 0 -11.2696 -0.0626 0.4627 H 0 0 0 0 0 0 0 0 0 -3.1468 -2.2689 2.2121 H 0 0 0 0 0 0 0 0 0 -0.8894 -1.6430 1.5576 H 0 0 0 0 0 0 0 0 0 -9.6861 1.6758 -0.4701 H 0 0 0 0 0 0 0 0 0 0.5984 0.0603 0.8154 H 0 0 0 0 0 0 0 0 0 0.3049 -1.0118 -1.3730 H 0 0 0 0 0 0 0 0 0 -0.4252 0.4581 -2.0180 H 0 0 0 0 0 0 0 0 0 -7.4585 2.4950 -0.6750 H 0 0 0 0 0 0 0 0 0 1.9607 0.3886 -2.6266 H 0 0 0 0 0 0 0 0 0 1.9508 2.1035 0.6730 H 0 0 0 0 0 0 0 0 0 0.9446 2.5513 -2.1519 H 0 0 0 0 0 0 0 0 0 0.6301 4.1373 1.1750 H 0 0 0 0 0 0 0 0 0 1.9695 4.4924 0.0902 H 0 0 0 0 0 0 0 0 0 0.3247 4.3583 -0.5403 H 0 0 0 0 0 0 0 0 0 2.9241 3.6107 -1.7670 H 0 0 0 0 0 0 0 0 0 2.7776 -0.8578 -0.9792 H 0 0 0 0 0 0 0 0 0 -2.9792 2.5255 -0.7984 H 0 0 0 0 0 0 0 0 0 -7.7665 -0.6989 3.3588 H 0 0 0 0 0 0 0 0 0 -9.8334 -0.8920 -1.2919 H 0 0 0 0 0 0 0 0 0 -12.1788 -3.1348 0.8915 H 0 0 0 0 0 0 0 0 0 -10.4476 -1.6704 3.6314 H 0 0 0 0 0 0 0 0 0 -12.1056 -1.3324 3.1350 H 0 0 0 0 0 0 0 0 0 -11.5332 -2.9879 3.2038 H 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 26 1 0 0 0 0 2 23 2 0 0 0 0 3 12 2 0 0 0 0 4 32 1 6 0 0 0 4 8 1 0 0 0 0 4 6 1 1 0 0 0 4 11 1 0 0 0 0 5 8 2 0 0 0 0 6 33 1 1 0 0 0 6 19 1 0 0 0 0 6 10 1 0 0 0 0 7 34 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 1 0 0 0 7 35 1 6 0 0 0 8 9 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 17 23 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 24 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 6 0 0 0 20 43 1 1 0 0 0 21 25 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 31 1 0 0 0 0 24 46 1 0 0 0 0 25 30 1 1 0 0 0 25 27 1 0 0 0 0 25 47 1 6 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 26 48 1 1 0 0 0 27 29 1 0 0 0 0 27 49 1 6 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > 184398 > K $$$$ 185056 1016 111283D 185056 37 38 0 1 V2000 9.5022 1.8420 0.6412 O 0 0 0 0 0 0 0 0 0 12.2826 0.8969 1.0177 Cl 0 0 0 0 0 0 0 0 0 7.0814 -0.8039 0.3772 O 0 0 0 0 0 0 0 0 0 8.7185 -3.6233 -1.2314 N 0 0 0 0 0 0 0 0 0 7.6060 -7.0245 -1.0087 N 0 0 0 0 0 0 0 0 0 8.4606 -2.3551 -0.8407 C 0 0 0 0 0 0 0 0 0 7.3577 -2.0726 -0.0399 C 0 0 0 0 0 0 0 0 0 6.5257 -3.1193 0.3323 C 0 0 0 0 0 0 0 0 0 6.8098 -4.4179 -0.0709 C 0 0 0 0 0 0 0 0 0 7.9289 -4.6555 -0.8596 C 0 0 0 0 0 0 0 0 0 9.3143 1.2034 -1.6615 C 0 0 0 0 0 0 0 0 0 9.8736 0.6354 -2.7980 C 0 0 0 0 0 0 0 0 0 10.0462 1.2886 -0.4814 C 0 0 0 0 0 0 0 0 0 11.1744 0.1519 -2.7601 C 0 0 0 0 0 0 0 0 0 11.3481 0.8027 -0.4482 C 0 0 0 0 0 0 0 0 0 11.9109 0.2372 -1.5855 C 0 0 0 0 0 0 0 0 0 8.2389 1.3090 1.0152 C 0 0 0 0 0 0 0 0 0 8.1659 -0.1909 0.9301 C 0 0 0 0 0 0 0 0 0 9.0848 -0.8492 1.3587 O 0 0 0 0 0 0 0 0 0 8.3014 -6.0307 -1.3212 C 0 0 0 0 0 0 0 0 0 7.8774 -8.2038 -1.3586 N 0 0 0 0 0 0 0 0 0 7.0976 -9.2371 -0.9546 C 0 0 0 0 0 0 0 0 0 5.8471 -9.0061 -0.0471 S 0 0 0 0 0 0 0 0 0 7.4229 -10.4897 -1.3545 N 0 0 0 0 0 0 0 0 0 9.0995 -1.5811 -1.1461 H 0 0 0 0 0 0 0 0 0 5.6807 -2.9234 0.9232 H 0 0 0 0 0 0 0 0 0 6.1847 -5.2108 0.2189 H 0 0 0 0 0 0 0 0 0 8.3319 1.5708 -1.6962 H 0 0 0 0 0 0 0 0 0 9.3124 0.5724 -3.6840 H 0 0 0 0 0 0 0 0 0 11.6001 -0.2774 -3.6193 H 0 0 0 0 0 0 0 0 0 12.8955 -0.1266 -1.5558 H 0 0 0 0 0 0 0 0 0 8.0388 1.5799 2.0412 H 0 0 0 0 0 0 0 0 0 7.4613 1.7298 0.3978 H 0 0 0 0 0 0 0 0 0 9.1600 -6.1487 -1.9142 H 0 0 0 0 0 0 0 0 0 8.6455 -8.3973 -1.9209 H 0 0 0 0 0 0 0 0 0 8.1964 -10.6376 -1.9193 H 0 0 0 0 0 0 0 0 0 6.8809 -11.2436 -1.0759 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 6 2 0 0 0 0 5 20 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M END > 185056 > K $$$$ 185065 1016 111283D 185065 30 31 0 1 V2000 -2.9775 5.6927 2.0988 N 0 0 0 0 0 0 0 0 0 -3.8335 2.1897 2.0091 N 0 0 0 0 0 0 0 0 0 -9.0370 -1.1970 0.8519 N 0 0 0 0 0 0 0 0 0 -7.8602 -1.3938 1.4939 C 0 0 0 0 0 0 0 0 0 -6.7291 -0.6652 1.1432 C 0 0 0 0 0 0 0 0 0 -6.8466 0.2619 0.1119 C 0 0 0 0 0 0 0 0 0 -8.0609 0.4534 -0.5351 C 0 0 0 0 0 0 0 0 0 -9.1634 -0.2940 -0.1467 C 0 0 0 0 0 0 0 0 0 -1.9495 6.5752 2.1485 C 0 0 0 0 0 0 0 0 0 -0.6372 6.1172 2.1790 C 0 0 0 0 0 0 0 0 0 -0.4127 4.7481 2.1575 C 0 0 0 0 0 0 0 0 0 -1.4787 3.8592 2.1080 C 0 0 0 0 0 0 0 0 0 -2.7775 4.3520 2.0781 C 0 0 0 0 0 0 0 0 0 0.4358 6.9517 2.2289 O 0 0 0 0 0 0 0 0 0 -3.9690 3.4371 2.0232 C 0 0 0 0 0 0 0 0 0 -4.7919 1.3650 1.9626 N 0 0 0 0 0 0 0 0 0 -4.5617 0.0237 2.0157 C 0 0 0 0 0 0 0 0 0 -3.1245 -0.5053 2.3256 S 0 0 0 0 0 0 0 0 0 -5.5564 -0.8888 1.8127 N 0 0 0 0 0 0 0 0 0 -7.8052 -2.1029 2.2657 H 0 0 0 0 0 0 0 0 0 -6.0125 0.8246 -0.1878 H 0 0 0 0 0 0 0 0 0 -8.1467 1.1561 -1.3113 H 0 0 0 0 0 0 0 0 0 -10.0909 -0.1617 -0.6234 H 0 0 0 0 0 0 0 0 0 -2.1458 7.6064 2.1639 H 0 0 0 0 0 0 0 0 0 0.5735 4.3886 2.1791 H 0 0 0 0 0 0 0 0 0 -1.3018 2.8240 2.0935 H 0 0 0 0 0 0 0 0 0 0.1586 7.8614 2.2437 H 0 0 0 0 0 0 0 0 0 -4.9281 3.8637 1.9968 H 0 0 0 0 0 0 0 0 0 -5.7093 1.6738 1.8914 H 0 0 0 0 0 0 0 0 0 -5.4130 -1.7759 2.1790 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 9 2 0 0 0 0 2 15 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 30 1 0 0 0 0 M END > 185065 > K $$$$ 191384 1016 111283D 191384 39 40 0 1 V2000 0.7775 -0.4686 -0.4377 C 0 0 0 0 0 0 0 0 0 -0.2472 0.4128 -0.0904 C 0 0 0 0 0 0 0 0 0 2.1021 -0.0677 -0.3031 C 0 0 0 0 0 0 0 0 0 0.0610 1.6547 0.4551 C 0 0 0 0 0 0 0 0 0 2.4124 1.1847 0.2115 C 0 0 0 0 0 0 0 0 0 1.3884 2.0389 0.5993 C 0 0 0 0 0 0 0 0 0 0.0013 0.2823 -5.4501 C 0 0 0 0 0 0 0 0 0 0.5507 0.3835 -6.7225 C 0 0 0 0 0 0 0 0 0 -1.2574 -0.2855 -5.2703 C 0 0 0 0 0 0 0 0 0 -0.1526 -0.0817 -7.8254 C 0 0 0 0 0 0 0 0 0 -1.9536 -0.7498 -6.3807 C 0 0 0 0 0 0 0 0 0 -1.4072 -0.6499 -7.6532 C 0 0 0 0 0 0 0 0 0 3.8437 1.6187 0.3497 C 0 0 0 0 0 0 0 0 0 0.4964 -1.8560 -0.9551 C 0 0 0 0 0 0 0 0 0 -1.0394 2.5842 0.8886 C 0 0 0 0 0 0 0 0 0 -1.5632 0.1043 -0.2655 N 0 0 0 0 0 0 0 0 0 -2.1057 -0.2101 -1.4702 C 0 0 0 0 0 0 0 0 0 -3.2276 -0.6553 -1.4780 O 0 0 0 0 0 0 0 0 0 -1.3722 -0.0195 -2.7693 C 0 0 0 0 0 0 0 0 0 -1.9191 -0.4280 -3.9225 C 0 0 0 0 0 0 0 0 0 2.8769 -0.7172 -0.5907 H 0 0 0 0 0 0 0 0 0 1.6196 2.9809 1.0029 H 0 0 0 0 0 0 0 0 0 0.5514 0.6410 -4.6320 H 0 0 0 0 0 0 0 0 0 1.5006 0.8131 -6.8521 H 0 0 0 0 0 0 0 0 0 0.2623 -0.0043 -8.7874 H 0 0 0 0 0 0 0 0 0 -2.9039 -1.1813 -6.2608 H 0 0 0 0 0 0 0 0 0 -1.9434 -1.0040 -8.4840 H 0 0 0 0 0 0 0 0 0 4.1183 2.2006 -0.5183 H 0 0 0 0 0 0 0 0 0 3.9650 2.2258 1.2349 H 0 0 0 0 0 0 0 0 0 4.4970 0.7614 0.4211 H 0 0 0 0 0 0 0 0 0 0.3275 -1.8302 -2.0210 H 0 0 0 0 0 0 0 0 0 1.3349 -2.5100 -0.7622 H 0 0 0 0 0 0 0 0 0 -0.3736 -2.2671 -0.4643 H 0 0 0 0 0 0 0 0 0 -1.4299 2.2401 1.8357 H 0 0 0 0 0 0 0 0 0 -0.6724 3.5930 1.0037 H 0 0 0 0 0 0 0 0 0 -1.8364 2.5843 0.1592 H 0 0 0 0 0 0 0 0 0 -2.1563 0.1126 0.5014 H 0 0 0 0 0 0 0 0 0 -0.4289 0.4370 -2.7560 H 0 0 0 0 0 0 0 0 0 -2.8693 -0.8761 -3.8852 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 16 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 4 15 1 0 0 0 0 4 6 1 0 0 0 0 5 13 1 0 0 0 0 5 6 2 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 20 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 M END > 191384 > K $$$$ 191389 1016 111283D 191389 36 37 0 1 V2000 0.0370 1.0396 -1.7717 C 0 0 0 0 0 0 0 0 0 1.2580 1.5274 -1.3179 C 0 0 0 0 0 0 0 0 0 -0.4282 -0.2019 -1.3579 C 0 0 0 0 0 0 0 0 0 0.3277 -0.9693 -0.4823 C 0 0 0 0 0 0 0 0 0 2.0093 0.7521 -0.4386 C 0 0 0 0 0 0 0 0 0 1.5470 -0.4902 -0.0231 C 0 0 0 0 0 0 0 0 0 4.4077 4.8535 0.7659 C 0 0 0 0 0 0 0 0 0 5.1463 4.5967 1.9137 C 0 0 0 0 0 0 0 0 0 5.0276 5.3022 -0.3972 C 0 0 0 0 0 0 0 0 0 6.4021 5.5280 -0.3826 C 0 0 0 0 0 0 0 0 0 6.5196 4.8028 1.9178 C 0 0 0 0 0 0 0 0 0 7.1405 5.2738 0.7680 C 0 0 0 0 0 0 0 0 0 7.3281 4.5183 3.1519 C 0 0 0 0 0 0 0 0 0 7.1066 6.0460 -1.6058 C 0 0 0 0 0 0 0 0 0 4.3190 5.5284 -1.5454 N 0 0 0 0 0 0 0 0 0 3.2446 4.8137 -1.9778 C 0 0 0 0 0 0 0 0 0 2.5783 5.3048 -2.8563 O 0 0 0 0 0 0 0 0 0 2.8563 3.4657 -1.4354 C 0 0 0 0 0 0 0 0 0 1.7077 2.8823 -1.8073 C 0 0 0 0 0 0 0 0 0 -0.5437 1.6117 -2.4345 H 0 0 0 0 0 0 0 0 0 -1.3517 -0.5606 -1.7073 H 0 0 0 0 0 0 0 0 0 -0.0215 -1.9090 -0.1684 H 0 0 0 0 0 0 0 0 0 2.9332 1.0914 -0.0768 H 0 0 0 0 0 0 0 0 0 2.1209 -1.0686 0.6399 H 0 0 0 0 0 0 0 0 0 3.3684 4.7065 0.7867 H 0 0 0 0 0 0 0 0 0 4.6629 4.2469 2.7789 H 0 0 0 0 0 0 0 0 0 8.1779 5.4390 0.7694 H 0 0 0 0 0 0 0 0 0 7.6390 3.4837 3.1375 H 0 0 0 0 0 0 0 0 0 8.2054 5.1484 3.1818 H 0 0 0 0 0 0 0 0 0 6.7394 4.6979 4.0397 H 0 0 0 0 0 0 0 0 0 6.8802 7.0961 -1.7213 H 0 0 0 0 0 0 0 0 0 8.1762 5.9252 -1.5155 H 0 0 0 0 0 0 0 0 0 6.7693 5.5095 -2.4806 H 0 0 0 0 0 0 0 0 0 4.5914 6.2598 -2.1204 H 0 0 0 0 0 0 0 0 0 3.5003 2.9888 -0.7615 H 0 0 0 0 0 0 0 0 0 1.0840 3.3983 -2.4780 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 20 1 0 0 0 0 2 19 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 6 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 15 1 0 0 0 0 9 10 2 0 0 0 0 10 14 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 M END > 191389 > K $$$$ 191392 1016 111283D 191392 33 34 0 1 V2000 8.8113 5.3940 -1.6151 Cl 0 0 0 0 0 0 0 0 0 -0.2709 1.1935 -0.6042 C 0 0 0 0 0 0 0 0 0 1.0138 1.7069 -0.7474 C 0 0 0 0 0 0 0 0 0 -0.4703 -0.1635 -0.3834 C 0 0 0 0 0 0 0 0 0 0.6178 -1.0217 -0.3019 C 0 0 0 0 0 0 0 0 0 2.0990 0.8380 -0.6645 C 0 0 0 0 0 0 0 0 0 1.9035 -0.5185 -0.4424 C 0 0 0 0 0 0 0 0 0 4.8162 4.7170 0.3610 C 0 0 0 0 0 0 0 0 0 5.9777 4.2284 0.9430 C 0 0 0 0 0 0 0 0 0 4.8562 5.4077 -0.8477 C 0 0 0 0 0 0 0 0 0 6.0849 5.6046 -1.4767 C 0 0 0 0 0 0 0 0 0 7.1992 4.4432 0.3221 C 0 0 0 0 0 0 0 0 0 7.2523 5.1348 -0.8803 C 0 0 0 0 0 0 0 0 0 6.1694 6.3194 -2.7995 C 0 0 0 0 0 0 0 0 0 3.7017 5.8881 -1.4036 N 0 0 0 0 0 0 0 0 0 2.4961 5.2579 -1.3729 C 0 0 0 0 0 0 0 0 0 1.5062 5.9254 -1.5492 O 0 0 0 0 0 0 0 0 0 2.3676 3.7795 -1.1389 C 0 0 0 0 0 0 0 0 0 1.1736 3.1889 -0.9873 C 0 0 0 0 0 0 0 0 0 -1.1025 1.8329 -0.6631 H 0 0 0 0 0 0 0 0 0 -1.4447 -0.5416 -0.2779 H 0 0 0 0 0 0 0 0 0 0.4701 -2.0481 -0.1342 H 0 0 0 0 0 0 0 0 0 3.0815 1.1888 -0.7677 H 0 0 0 0 0 0 0 0 0 2.7303 -1.1637 -0.3814 H 0 0 0 0 0 0 0 0 0 3.8992 4.5609 0.8483 H 0 0 0 0 0 0 0 0 0 5.9327 3.6994 1.8501 H 0 0 0 0 0 0 0 0 0 8.0833 4.0831 0.7609 H 0 0 0 0 0 0 0 0 0 6.4258 7.3545 -2.6273 H 0 0 0 0 0 0 0 0 0 6.9245 5.8644 -3.4232 H 0 0 0 0 0 0 0 0 0 5.2319 6.2681 -3.3323 H 0 0 0 0 0 0 0 0 0 3.7214 6.7436 -1.8589 H 0 0 0 0 0 0 0 0 0 3.2463 3.2125 -1.0977 H 0 0 0 0 0 0 0 0 0 0.3092 3.7857 -1.0375 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 20 1 0 0 0 0 3 19 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 7 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 15 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 M END > 191392 > K $$$$ 191393 1016 111283D 191393 33 34 0 1 V2000 0.7003 -1.7859 -1.1550 Cl 0 0 0 0 0 0 0 0 0 0.0073 1.8427 0.4549 C 0 0 0 0 0 0 0 0 0 1.3000 2.3404 0.5762 C 0 0 0 0 0 0 0 0 0 -0.2071 0.5785 -0.0873 C 0 0 0 0 0 0 0 0 0 0.8880 -0.1832 -0.4952 C 0 0 0 0 0 0 0 0 0 2.3850 1.5845 0.1547 C 0 0 0 0 0 0 0 0 0 2.1769 0.3216 -0.3810 C 0 0 0 0 0 0 0 0 0 -0.1028 0.3510 -5.3562 C 0 0 0 0 0 0 0 0 0 -1.2322 -0.4424 -5.1704 C 0 0 0 0 0 0 0 0 0 0.4322 0.5327 -6.6245 C 0 0 0 0 0 0 0 0 0 -0.1573 -0.0788 -7.7221 C 0 0 0 0 0 0 0 0 0 -1.8161 -1.0507 -6.2764 C 0 0 0 0 0 0 0 0 0 -1.2834 -0.8712 -7.5466 C 0 0 0 0 0 0 0 0 0 -1.1541 2.6812 0.9120 C 0 0 0 0 0 0 0 0 0 -1.4893 0.1197 -0.2035 N 0 0 0 0 0 0 0 0 0 -2.0225 -0.3677 -1.3547 C 0 0 0 0 0 0 0 0 0 -3.0419 -1.0099 -1.2820 O 0 0 0 0 0 0 0 0 0 -1.3816 -0.1183 -2.6900 C 0 0 0 0 0 0 0 0 0 -1.8544 -0.6729 -3.8147 C 0 0 0 0 0 0 0 0 0 1.4620 3.2938 0.9869 H 0 0 0 0 0 0 0 0 0 3.3603 1.9661 0.2411 H 0 0 0 0 0 0 0 0 0 2.9957 -0.2541 -0.7008 H 0 0 0 0 0 0 0 0 0 0.3642 0.8246 -4.5458 H 0 0 0 0 0 0 0 0 0 1.2843 1.1337 -6.7523 H 0 0 0 0 0 0 0 0 0 0.2479 0.0582 -8.6815 H 0 0 0 0 0 0 0 0 0 -2.6684 -1.6529 -6.1558 H 0 0 0 0 0 0 0 0 0 -1.7324 -1.3351 -8.3751 H 0 0 0 0 0 0 0 0 0 -1.4252 2.3866 1.9153 H 0 0 0 0 0 0 0 0 0 -0.8937 3.7292 0.9067 H 0 0 0 0 0 0 0 0 0 -2.0019 2.5344 0.2585 H 0 0 0 0 0 0 0 0 0 -2.0685 0.1398 0.5737 H 0 0 0 0 0 0 0 0 0 -0.5449 0.5094 -2.7210 H 0 0 0 0 0 0 0 0 0 -2.6973 -1.2978 -3.7482 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 14 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 4 15 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 19 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 M END > 191393 > K $$$$ 196524 1016 111283D 196524 51 54 1 1 V2000 -3.6404 1.3288 3.0882 O 0 0 0 0 0 0 0 0 0 -1.7626 6.2034 3.8084 O 0 0 0 0 0 0 0 0 0 -0.9626 3.3917 -2.5819 C 0 0 1 0 0 0 0 0 0 -3.2276 2.4576 3.1990 C 0 0 0 0 0 0 0 0 0 -3.3206 3.0854 4.5586 C 0 0 0 0 0 0 0 0 0 -3.8931 2.3542 5.5927 C 0 0 0 0 0 0 0 0 0 -3.9963 2.9054 6.8609 C 0 0 0 0 0 0 0 0 0 -2.6455 3.2074 2.0262 C 0 0 0 0 0 0 0 0 0 -2.5693 2.6282 0.7578 C 0 0 0 0 0 0 0 0 0 -2.0653 3.3547 -0.3128 C 0 0 0 0 0 0 0 0 0 -1.9728 2.6856 -1.6626 C 0 0 1 0 0 0 0 0 0 -3.5257 4.1904 7.0850 C 0 0 0 0 0 0 0 0 0 -2.8432 4.3728 4.7799 C 0 0 0 0 0 0 0 0 0 -2.1761 4.5055 2.2275 C 0 0 0 0 0 0 0 0 0 -1.6593 4.6707 -0.1262 C 0 0 0 0 0 0 0 0 0 -1.3427 4.8735 -2.6531 C 0 0 0 0 0 0 0 0 0 -2.9528 4.9281 6.0577 C 0 0 0 0 0 0 0 0 0 -2.2264 5.1071 3.6162 C 0 0 0 0 0 0 0 0 0 -1.6674 5.2283 1.1459 C 0 0 0 0 0 0 0 0 0 -1.1994 5.5286 -1.2779 C 0 0 1 0 0 0 0 0 0 -2.5436 6.1696 6.4348 O 0 0 0 0 0 0 0 0 0 -2.9524 1.3628 0.4330 O 0 0 0 0 0 0 0 0 0 -1.1493 6.4859 1.2162 O 0 0 0 0 0 0 0 0 0 -1.9975 6.6926 -1.3059 O 0 0 0 0 0 0 0 0 0 -3.3277 2.6192 -2.3050 C 0 0 0 0 0 0 0 0 0 -3.5975 1.6993 -3.0418 O 0 0 0 0 0 0 0 0 0 0.3025 3.2914 -1.9627 O 0 0 0 0 0 0 0 0 0 -4.2341 3.6017 -2.0547 O 0 0 0 0 0 0 0 0 0 -5.4305 3.4475 -2.7905 C 0 0 0 0 0 0 0 0 0 -0.8806 2.7772 -3.9892 C 0 0 0 0 0 0 0 0 0 -0.4491 1.3108 -3.9744 C 0 0 0 0 0 0 0 0 0 -4.2502 1.3809 5.4182 H 0 0 0 0 0 0 0 0 0 -4.4273 2.3549 7.6455 H 0 0 0 0 0 0 0 0 0 -1.6314 1.6739 -1.5105 H 0 0 0 0 0 0 0 0 0 -3.6012 4.6164 8.0421 H 0 0 0 0 0 0 0 0 0 -0.7102 5.3985 -3.3537 H 0 0 0 0 0 0 0 0 0 -2.3673 4.9714 -2.9833 H 0 0 0 0 0 0 0 0 0 -0.1616 5.7774 -1.0993 H 0 0 0 0 0 0 0 0 0 -2.2079 6.6902 5.7185 H 0 0 0 0 0 0 0 0 0 -3.3277 0.8764 1.1536 H 0 0 0 0 0 0 0 0 0 -1.4039 6.9623 1.9930 H 0 0 0 0 0 0 0 0 0 -1.5810 7.3554 -1.8463 H 0 0 0 0 0 0 0 0 0 0.9699 3.7091 -2.4996 H 0 0 0 0 0 0 0 0 0 -5.2211 3.4246 -3.8510 H 0 0 0 0 0 0 0 0 0 -5.9440 2.5388 -2.5065 H 0 0 0 0 0 0 0 0 0 -6.0738 4.2902 -2.5855 H 0 0 0 0 0 0 0 0 0 -1.8346 2.8582 -4.4907 H 0 0 0 0 0 0 0 0 0 -0.1523 3.3301 -4.5651 H 0 0 0 0 0 0 0 0 0 -0.3369 0.9580 -4.9891 H 0 0 0 0 0 0 0 0 0 0.4953 1.2105 -3.4591 H 0 0 0 0 0 0 0 0 0 -1.1922 0.7030 -3.4793 H 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 18 2 0 0 0 0 3 27 1 6 0 0 0 3 11 1 0 0 0 0 3 16 1 0 0 0 0 3 30 1 1 0 0 0 4 8 1 0 0 0 0 4 5 1 0 0 0 0 5 13 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 12 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 22 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 25 1 1 0 0 0 11 34 1 6 0 0 0 12 17 2 0 0 0 0 12 35 1 0 0 0 0 13 18 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 21 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 1 0 0 0 20 38 1 6 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 28 1 0 0 0 0 25 26 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M END > 196524 > K $$$$ 202000 1016 111283D 202000 27 29 0 1 V2000 1.0196 -1.9593 -1.5407 O 0 0 0 0 0 0 0 0 0 6.3548 5.1542 -3.0648 Cl 0 0 0 0 0 0 0 0 0 -0.2081 -0.4773 -0.3211 O 0 0 0 0 0 0 0 0 0 1.1024 1.3199 -0.6500 N 0 0 0 0 0 0 0 0 0 7.4144 2.2213 -3.6100 Cl 0 0 0 0 0 0 0 0 0 -0.6212 3.0371 1.0013 O 0 0 0 0 0 0 0 0 0 -1.6934 3.3561 1.8074 C 0 0 0 0 0 0 0 0 0 -2.5259 2.2761 2.0317 C 0 0 0 0 0 0 0 0 0 -1.9746 1.2162 1.3470 C 0 0 0 0 0 0 0 0 0 -0.8310 1.6974 0.7377 C 0 0 0 0 0 0 0 0 0 0.0711 0.8471 -0.1109 C 0 0 0 0 0 0 0 0 0 0.8378 -0.8509 -1.0967 C 0 0 0 0 0 0 0 0 0 1.7173 0.3209 -1.3104 C 0 0 0 0 0 0 0 0 0 3.6924 1.5726 -2.2652 C 0 0 0 0 0 0 0 0 0 3.2300 2.8661 -2.0383 C 0 0 0 0 0 0 0 0 0 4.9814 1.3948 -2.7558 C 0 0 0 0 0 0 0 0 0 5.8040 2.4857 -3.0033 C 0 0 0 0 0 0 0 0 0 4.0497 3.9598 -2.2856 C 0 0 0 0 0 0 0 0 0 5.3386 3.7725 -2.7659 C 0 0 0 0 0 0 0 0 0 2.8622 0.3394 -2.0074 C 0 0 0 0 0 0 0 0 0 -1.8580 4.3145 2.2063 H 0 0 0 0 0 0 0 0 0 -3.4031 2.2662 2.6090 H 0 0 0 0 0 0 0 0 0 -2.3476 0.2358 1.2966 H 0 0 0 0 0 0 0 0 0 2.2590 3.0377 -1.6803 H 0 0 0 0 0 0 0 0 0 5.3447 0.4268 -2.9423 H 0 0 0 0 0 0 0 0 0 3.6936 4.9323 -2.1089 H 0 0 0 0 0 0 0 0 0 3.2045 -0.5736 -2.3996 H 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 11 2 0 0 0 0 4 13 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 20 2 0 0 0 0 14 20 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 20 27 1 0 0 0 0 M END > 202000 > K $$$$ 204985 1016 111283D 204985 36 40 1 1 V2000 -0.3960 1.2670 -0.2445 O 0 0 0 0 0 0 0 0 0 2.2734 -0.3902 0.1508 H 0 0 0 0 0 0 0 0 0 0.0630 -0.6972 -0.6229 H 0 0 0 0 0 0 0 0 0 -0.7402 -0.4319 1.2518 O 0 0 0 0 0 0 0 0 0 3.6003 0.1411 2.7735 O 0 0 0 0 0 0 0 0 0 2.6858 -0.8867 6.5817 O 0 0 0 0 0 0 0 0 0 6.9097 0.5258 4.1872 C 0 0 0 0 0 0 0 0 0 5.8481 0.4927 3.2948 C 0 0 0 0 0 0 0 0 0 6.6932 0.1991 5.5182 C 0 0 0 0 0 0 0 0 0 5.4291 -0.1623 5.9645 C 0 0 0 0 0 0 0 0 0 4.5778 0.1371 3.7266 C 0 0 0 0 0 0 0 0 0 4.3647 -0.1953 5.0625 C 0 0 0 0 0 0 0 0 0 2.9654 -0.5766 5.4487 C 0 0 0 0 0 0 0 0 0 1.9149 -0.5624 4.3829 C 0 0 0 0 0 0 0 0 0 2.3205 -0.1943 3.1047 C 0 0 0 0 0 0 0 0 0 1.3624 -0.1674 2.1052 C 0 0 0 0 0 0 0 0 0 0.5898 -0.9013 4.6536 C 0 0 0 0 0 0 0 0 0 0.0506 -0.5037 2.3488 C 0 0 0 0 0 0 0 0 0 1.5443 0.2030 0.6827 C 0 0 1 0 0 0 0 0 0 0.0978 0.0124 0.1929 C 0 0 2 0 0 0 0 0 0 1.6869 1.6717 0.5083 C 0 0 0 0 0 0 0 0 0 0.5734 2.1876 -0.0094 C 0 0 0 0 0 0 0 0 0 -0.3501 -0.8716 3.6235 C 0 0 0 0 0 0 0 0 0 0.2902 -1.2489 5.9390 O 0 0 0 0 0 0 0 0 0 -1.0476 -1.5580 6.2791 C 0 0 0 0 0 0 0 0 0 5.3542 -0.4592 7.2898 O 0 0 0 0 0 0 0 0 0 7.8704 0.7962 3.8582 H 0 0 0 0 0 0 0 0 0 6.0015 0.7376 2.2851 H 0 0 0 0 0 0 0 0 0 7.4909 0.2234 6.2009 H 0 0 0 0 0 0 0 0 0 2.5445 2.2228 0.7602 H 0 0 0 0 0 0 0 0 0 0.4545 3.2110 -0.2174 H 0 0 0 0 0 0 0 0 0 -1.3545 -1.1214 3.7906 H 0 0 0 0 0 0 0 0 0 -1.6980 -0.7169 6.0813 H 0 0 0 0 0 0 0 0 0 -1.3887 -2.4264 5.7326 H 0 0 0 0 0 0 0 0 0 -1.0880 -1.7802 7.3357 H 0 0 0 0 0 0 0 0 0 4.4784 -0.7028 7.5625 H 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 27 1 0 0 0 0 8 11 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 26 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 18 2 0 0 0 0 17 24 1 0 0 0 0 17 23 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 25 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 M END > 204985 > K $$$$ 208734 1016 111283D 208734 111117 1 1 V2000 -20.3712 -14.2176 -3.0991 O 0 0 0 0 0 0 0 0 0 -20.2604 -16.3422 -0.2171 O 0 0 0 0 0 0 0 0 0 -18.8711 -16.2979 1.5513 O 0 0 0 0 0 0 0 0 0 -20.2177 -14.3208 4.3743 O 0 0 0 0 0 0 0 0 0 -19.3193 -12.7929 5.7629 O 0 0 0 0 0 0 0 0 0 -18.0787 -9.8227 7.4490 O 0 0 0 0 0 0 0 0 0 -17.9721 -7.3474 8.5466 C 0 0 1 0 0 0 0 0 0 -18.5648 -7.6167 7.2916 O 0 0 0 0 0 0 0 0 0 -22.1516 -4.9154 10.5082 O 0 0 0 0 0 0 0 0 0 -18.7203 -1.0256 9.4581 O 0 0 0 0 0 0 0 0 0 -19.5146 -1.9077 9.6837 C 0 0 0 0 0 0 0 0 0 -20.8588 -1.5797 10.2496 C 0 0 0 0 0 0 0 0 0 -16.0950 -5.0978 8.1047 C 0 0 1 0 0 0 0 0 0 -15.8397 -6.4927 7.5112 C 0 0 1 0 0 0 0 0 0 -17.4916 -4.8767 8.6112 C 0 0 0 0 0 0 0 0 0 -17.9035 -3.5741 8.8495 C 0 0 0 0 0 0 0 0 0 -19.1506 -3.3293 9.3972 C 0 0 0 0 0 0 0 0 0 -21.1658 -0.2458 10.4845 C 0 0 0 0 0 0 0 0 0 -22.4035 0.0947 11.0069 C 0 0 0 0 0 0 0 0 0 -16.4624 -7.5578 8.4225 C 0 0 0 0 0 0 0 0 0 -18.3653 -5.9288 8.8585 C 0 0 0 0 0 0 0 0 0 -20.0267 -4.3743 9.6708 C 0 0 0 0 0 0 0 0 0 -21.7722 -2.5927 10.5307 C 0 0 0 0 0 0 0 0 0 -23.3214 -0.9065 11.2882 C 0 0 0 0 0 0 0 0 0 -19.6249 -5.6848 9.3956 C 0 0 0 0 0 0 0 0 0 -21.3757 -4.0274 10.2557 C 0 0 0 0 0 0 0 0 0 -23.0181 -2.2416 11.0556 C 0 0 0 0 0 0 0 0 0 -19.1294 -8.9036 7.2187 C 0 0 1 0 0 0 0 0 0 -19.6945 -9.0735 5.8114 C 0 0 0 0 0 0 0 0 0 -20.2278 -10.5047 5.6691 C 0 0 1 0 0 0 0 0 0 -18.4874 -11.1714 7.3228 C 0 0 1 0 0 0 0 0 0 -19.0118 -11.4195 5.9070 C 0 0 1 0 0 0 0 0 0 -19.2711 -13.2730 4.4392 C 0 0 1 0 0 0 0 0 0 -17.8678 -13.8304 4.2095 C 0 0 0 0 0 0 0 0 0 -17.8283 -14.5102 2.8428 C 0 0 1 0 0 0 0 0 0 -18.9314 -15.5725 2.7683 C 0 0 1 0 0 0 0 0 0 -19.2420 -15.5803 0.3940 C 0 0 1 0 0 0 0 0 0 -18.0756 -15.5005 -0.5830 C 0 0 0 0 0 0 0 0 0 -18.5006 -14.5995 -1.7430 C 0 0 0 0 0 0 0 0 0 -20.8151 -15.7828 -1.3964 C 0 0 1 0 0 0 0 0 0 -19.9292 -14.8228 -2.1518 C 0 0 0 0 0 0 0 0 0 -20.2813 -14.9123 3.0902 C 0 0 1 0 0 0 0 0 0 -21.1812 -16.9593 -2.2974 C 0 0 0 0 0 0 0 0 0 -21.4150 -15.9310 3.0585 C 0 0 0 0 0 0 0 0 0 -18.0126 -13.5228 1.8464 O 0 0 0 0 0 0 0 0 0 -16.4534 -6.4819 6.2387 O 0 0 0 0 0 0 0 0 0 -14.3591 -6.8174 7.2635 C 0 0 0 0 0 0 0 0 0 -13.6533 -5.8319 6.3315 C 0 0 0 0 0 0 0 0 0 -17.2748 -12.0540 7.6009 C 0 0 0 0 0 0 0 0 0 -21.3683 -10.7554 6.5689 N 0 0 0 0 0 0 0 0 0 -22.5322 -9.8917 6.3630 C 0 0 0 0 0 0 0 0 0 -21.7876 -12.1556 6.6628 C 0 0 0 0 0 0 0 0 0 -15.4174 -4.7411 9.3915 C 0 0 0 0 0 0 0 0 0 -15.2188 -5.5681 10.2490 O 0 0 0 0 0 0 0 0 0 -15.0431 -3.4482 9.5800 O 0 0 0 0 0 0 0 0 0 -15.3806 -2.9797 10.8696 C 0 0 0 0 0 0 0 0 0 -20.3726 -6.8030 9.6114 O 0 0 0 0 0 0 0 0 0 -24.0208 -3.1009 11.3818 O 0 0 0 0 0 0 0 0 0 -18.3421 -7.9962 9.3305 H 0 0 0 0 0 0 0 0 0 -15.8445 -4.3575 7.3591 H 0 0 0 0 0 0 0 0 0 -17.2645 -2.7702 8.6181 H 0 0 0 0 0 0 0 0 0 -20.4628 0.5055 10.2670 H 0 0 0 0 0 0 0 0 0 -22.6431 1.1015 11.1878 H 0 0 0 0 0 0 0 0 0 -16.0102 -7.5164 9.4018 H 0 0 0 0 0 0 0 0 0 -16.2813 -8.5389 8.0091 H 0 0 0 0 0 0 0 0 0 -24.2616 -0.6574 11.6833 H 0 0 0 0 0 0 0 0 0 -19.9233 -9.0139 7.9485 H 0 0 0 0 0 0 0 0 0 -20.4613 -8.3372 5.6295 H 0 0 0 0 0 0 0 0 0 -18.8983 -8.9026 5.1017 H 0 0 0 0 0 0 0 0 0 -20.5606 -10.6449 4.6504 H 0 0 0 0 0 0 0 0 0 -19.2585 -11.4090 8.0430 H 0 0 0 0 0 0 0 0 0 -18.2190 -11.1371 5.2271 H 0 0 0 0 0 0 0 0 0 -19.5088 -12.5085 3.7087 H 0 0 0 0 0 0 0 0 0 -17.1391 -13.0349 4.2502 H 0 0 0 0 0 0 0 0 0 -17.6536 -14.5495 4.9863 H 0 0 0 0 0 0 0 0 0 -16.8765 -15.0059 2.7063 H 0 0 0 0 0 0 0 0 0 -18.7457 -16.2876 3.5574 H 0 0 0 0 0 0 0 0 0 -19.5893 -14.5775 0.6004 H 0 0 0 0 0 0 0 0 0 -17.2016 -15.0930 -0.0965 H 0 0 0 0 0 0 0 0 0 -17.8558 -16.4975 -0.9366 H 0 0 0 0 0 0 0 0 0 -18.4223 -13.5703 -1.4245 H 0 0 0 0 0 0 0 0 0 -17.8475 -14.7517 -2.5895 H 0 0 0 0 0 0 0 0 0 -21.7200 -15.2555 -1.1321 H 0 0 0 0 0 0 0 0 0 -20.5167 -14.1461 2.3660 H 0 0 0 0 0 0 0 0 0 -21.8411 -17.6281 -1.7644 H 0 0 0 0 0 0 0 0 0 -21.6779 -16.6062 -3.1895 H 0 0 0 0 0 0 0 0 0 -20.2871 -17.4990 -2.5748 H 0 0 0 0 0 0 0 0 0 -22.3518 -15.4265 3.2440 H 0 0 0 0 0 0 0 0 0 -21.4533 -16.4033 2.0874 H 0 0 0 0 0 0 0 0 0 -21.2580 -16.6811 3.8188 H 0 0 0 0 0 0 0 0 0 -17.2219 -12.9949 1.7755 H 0 0 0 0 0 0 0 0 0 -16.6515 -7.3722 5.9597 H 0 0 0 0 0 0 0 0 0 -13.8276 -6.8568 8.2033 H 0 0 0 0 0 0 0 0 0 -14.3048 -7.7924 6.7991 H 0 0 0 0 0 0 0 0 0 -14.1799 -5.7662 5.3900 H 0 0 0 0 0 0 0 0 0 -13.6082 -4.8538 6.7870 H 0 0 0 0 0 0 0 0 0 -12.6458 -6.1754 6.1445 H 0 0 0 0 0 0 0 0 0 -16.9179 -11.8633 8.6019 H 0 0 0 0 0 0 0 0 0 -17.5502 -13.0950 7.5125 H 0 0 0 0 0 0 0 0 0 -16.4884 -11.8287 6.8956 H 0 0 0 0 0 0 0 0 0 -22.9118 -10.0070 5.3575 H 0 0 0 0 0 0 0 0 0 -23.3181 -10.1429 7.0615 H 0 0 0 0 0 0 0 0 0 -22.2841 -8.8553 6.5331 H 0 0 0 0 0 0 0 0 0 -22.6690 -12.2574 7.2798 H 0 0 0 0 0 0 0 0 0 -22.0011 -12.5540 5.6807 H 0 0 0 0 0 0 0 0 0 -21.0165 -12.7535 7.1244 H 0 0 0 0 0 0 0 0 0 -15.0716 -1.9482 10.9561 H 0 0 0 0 0 0 0 0 0 -16.4520 -3.0178 11.0105 H 0 0 0 0 0 0 0 0 0 -14.8997 -3.5599 11.6433 H 0 0 0 0 0 0 0 0 0 -21.2499 -6.6181 9.9135 H 0 0 0 0 0 0 0 0 0 -23.7961 -4.0104 11.2446 H 0 0 0 0 0 0 0 0 0 1 41 2 0 0 0 0 2 37 1 0 0 0 0 2 40 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 42 1 0 0 0 0 4 33 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 28 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 1 0 0 0 7 20 1 6 0 0 0 7 59 1 0 0 0 0 8 28 1 0 0 0 0 9 26 2 0 0 0 0 10 11 2 0 0 0 0 11 17 1 0 0 0 0 11 12 1 0 0 0 0 12 23 2 0 0 0 0 12 18 1 0 0 0 0 13 53 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 1 0 0 0 13 60 1 0 0 0 0 14 46 1 1 0 0 0 14 20 1 0 0 0 0 14 47 1 6 0 0 0 15 21 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 61 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 62 1 0 0 0 0 19 24 1 0 0 0 0 19 63 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 24 27 2 0 0 0 0 24 66 1 0 0 0 0 25 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 1 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 50 1 1 0 0 0 30 32 1 6 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 6 0 0 0 31 71 1 1 0 0 0 32 72 1 6 0 0 0 33 34 1 0 0 0 0 33 73 1 6 0 0 0 34 35 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 45 1 6 0 0 0 35 36 1 1 0 0 0 35 76 1 0 0 0 0 36 42 1 0 0 0 0 36 77 1 1 0 0 0 37 38 1 6 0 0 0 37 78 1 1 0 0 0 38 39 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 41 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 41 1 6 0 0 0 40 43 1 0 0 0 0 40 83 1 1 0 0 0 42 44 1 1 0 0 0 42 84 1 6 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 43 87 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 91 1 0 0 0 0 46 92 1 0 0 0 0 47 48 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 48 97 1 0 0 0 0 49 98 1 0 0 0 0 49 99 1 0 0 0 0 49100 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 51101 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 52104 1 0 0 0 0 52105 1 0 0 0 0 52106 1 0 0 0 0 53 55 1 0 0 0 0 53 54 2 0 0 0 0 55 56 1 0 0 0 0 56107 1 0 0 0 0 56108 1 0 0 0 0 56109 1 0 0 0 0 57110 1 0 0 0 0 58111 1 0 0 0 0 M END > 208734 > K $$$$ 208913 1016 111283D 208913 50 52 1 1 V2000 2.8145 2.2806 -1.0817 C 0 0 0 0 0 0 0 0 0 4.3328 2.1055 -1.2028 C 0 0 0 0 0 0 0 0 0 4.9753 2.3101 0.1731 C 0 0 0 0 0 0 0 0 0 2.2639 1.2130 -0.1297 C 0 0 0 0 0 0 0 0 0 4.4364 1.2467 1.1362 C 0 0 0 0 0 0 0 0 0 2.9107 1.3708 1.2543 C 0 0 0 0 0 0 0 0 0 2.5839 -0.1743 -0.7023 C 0 0 0 0 0 0 0 0 0 4.7941 -0.1427 0.5949 C 0 0 0 0 0 0 0 0 0 4.1073 -0.4113 -0.7614 C 0 0 0 0 0 0 0 0 0 4.6490 0.6892 -1.7073 C 0 0 0 0 0 0 0 0 0 4.3959 -1.7656 -1.2204 N 0 0 0 0 0 0 0 0 0 4.1641 -2.8981 -0.4807 C 0 0 0 0 0 0 0 0 0 4.6009 -3.9481 -0.8858 O 0 0 0 0 0 0 0 0 0 2.5456 -5.2075 0.6986 C 0 0 0 0 0 0 0 0 0 2.8869 -6.3671 0.6707 O 0 0 0 0 0 0 0 0 0 1.3963 -4.8098 0.0871 O 0 0 0 0 0 0 0 0 0 4.9665 -1.9762 -2.5345 C 0 0 0 0 0 0 0 0 0 3.4775 -2.9619 0.6893 N 0 0 0 0 0 0 0 0 0 2.8505 -3.9590 2.8238 C 0 0 0 0 0 0 0 0 0 3.4011 -4.2016 1.4186 C 0 0 1 0 0 0 0 0 0 1.0554 -5.6644 -0.9848 C 0 0 0 0 0 0 0 0 0 -0.0424 -4.9937 -1.8010 C 0 0 0 0 0 0 0 0 0 2.5859 3.2660 -0.7006 H 0 0 0 0 0 0 0 0 0 2.3542 2.1748 -2.0540 H 0 0 0 0 0 0 0 0 0 4.7247 2.8362 -1.8961 H 0 0 0 0 0 0 0 0 0 6.0494 2.2205 0.0917 H 0 0 0 0 0 0 0 0 0 4.7424 3.2974 0.5461 H 0 0 0 0 0 0 0 0 0 1.1925 1.3277 -0.0437 H 0 0 0 0 0 0 0 0 0 4.8893 1.3829 2.1081 H 0 0 0 0 0 0 0 0 0 2.6581 2.3388 1.6634 H 0 0 0 0 0 0 0 0 0 2.5331 0.6100 1.9228 H 0 0 0 0 0 0 0 0 0 2.0748 -0.9047 -0.0989 H 0 0 0 0 0 0 0 0 0 2.1737 -0.2569 -1.6990 H 0 0 0 0 0 0 0 0 0 5.8650 -0.2164 0.4696 H 0 0 0 0 0 0 0 0 0 4.5169 -0.8633 1.3441 H 0 0 0 0 0 0 0 0 0 4.2094 0.5826 -2.6883 H 0 0 0 0 0 0 0 0 0 5.7206 0.5910 -1.8065 H 0 0 0 0 0 0 0 0 0 5.0670 -3.0218 -2.7900 H 0 0 0 0 0 0 0 0 0 4.3364 -1.5262 -3.2874 H 0 0 0 0 0 0 0 0 0 5.9517 -1.5351 -2.5800 H 0 0 0 0 0 0 0 0 0 3.0309 -2.1855 1.0421 H 0 0 0 0 0 0 0 0 0 3.4905 -3.2639 3.3476 H 0 0 0 0 0 0 0 0 0 1.8546 -3.5441 2.7630 H 0 0 0 0 0 0 0 0 0 2.8154 -4.8879 3.3744 H 0 0 0 0 0 0 0 0 0 4.3915 -4.6256 1.5093 H 0 0 0 0 0 0 0 0 0 1.9079 -5.8219 -1.6332 H 0 0 0 0 0 0 0 0 0 0.7086 -6.6188 -0.6140 H 0 0 0 0 0 0 0 0 0 -0.2775 -5.6016 -2.6622 H 0 0 0 0 0 0 0 0 0 -0.9255 -4.8749 -1.1915 H 0 0 0 0 0 0 0 0 0 0.2981 -4.0230 -2.1317 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 10 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 7 1 0 0 0 0 4 6 1 0 0 0 0 4 28 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 16 21 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 1 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 M END > 208913 > K $$$$ 208914 1016 111283D 208914 44 46 0 1 V2000 -3.0196 -5.3996 6.1244 C 0 0 0 0 0 0 0 0 0 -2.1246 -5.4036 7.3701 C 0 0 0 0 0 0 0 0 0 -0.6560 -5.4937 6.9387 C 0 0 0 0 0 0 0 0 0 -2.6863 -4.1669 5.2766 C 0 0 0 0 0 0 0 0 0 -0.3081 -4.2704 6.0805 C 0 0 0 0 0 0 0 0 0 -1.2143 -4.2282 4.8417 C 0 0 0 0 0 0 0 0 0 -2.9391 -2.9026 6.1113 C 0 0 0 0 0 0 0 0 0 -0.5176 -2.9988 6.9133 C 0 0 0 0 0 0 0 0 0 -1.9938 -2.8522 7.3284 C 0 0 0 0 0 0 0 0 0 -2.3361 -4.1057 8.1652 C 0 0 0 0 0 0 0 0 0 -1.6009 -0.4846 8.1670 C 0 0 0 0 0 0 0 0 0 -1.4600 0.0459 9.2410 O 0 0 0 0 0 0 0 0 0 -2.0461 2.1296 4.6381 O 0 0 0 0 0 0 0 0 0 -1.2096 1.2931 4.8865 C 0 0 0 0 0 0 0 0 0 0.0599 1.4053 4.4090 O 0 0 0 0 0 0 0 0 0 -2.1860 -1.7155 8.2073 N 0 0 0 0 0 0 0 0 0 -1.1518 0.2443 7.1113 N 0 0 0 0 0 0 0 0 0 -1.5681 0.1081 5.7366 C 0 0 0 0 0 0 0 0 0 0.2882 2.6121 3.7107 C 0 0 0 0 0 0 0 0 0 1.7466 2.6182 3.2691 C 0 0 0 0 0 0 0 0 0 -2.8525 -6.2986 5.5474 H 0 0 0 0 0 0 0 0 0 -4.0594 -5.3717 6.4179 H 0 0 0 0 0 0 0 0 0 -2.3735 -6.2554 7.9875 H 0 0 0 0 0 0 0 0 0 -0.0216 -5.5204 7.8134 H 0 0 0 0 0 0 0 0 0 -0.4955 -6.4004 6.3725 H 0 0 0 0 0 0 0 0 0 -3.3189 -4.1527 4.4000 H 0 0 0 0 0 0 0 0 0 0.7257 -4.3321 5.7712 H 0 0 0 0 0 0 0 0 0 -1.0505 -5.1147 4.2448 H 0 0 0 0 0 0 0 0 0 -0.9713 -3.3642 4.2389 H 0 0 0 0 0 0 0 0 0 -2.8083 -2.0623 5.4560 H 0 0 0 0 0 0 0 0 0 -3.9657 -2.8906 6.4492 H 0 0 0 0 0 0 0 0 0 0.0986 -3.0429 7.7999 H 0 0 0 0 0 0 0 0 0 -0.1879 -2.1523 6.3363 H 0 0 0 0 0 0 0 0 0 -3.3679 -4.0586 8.4847 H 0 0 0 0 0 0 0 0 0 -1.7171 -4.1297 9.0508 H 0 0 0 0 0 0 0 0 0 -2.8049 -1.8224 8.9453 H 0 0 0 0 0 0 0 0 0 -0.4949 0.9265 7.3222 H 0 0 0 0 0 0 0 0 0 -2.6425 0.0079 5.6998 H 0 0 0 0 0 0 0 0 0 -1.0964 -0.7286 5.2515 H 0 0 0 0 0 0 0 0 0 -0.3480 2.6768 2.8382 H 0 0 0 0 0 0 0 0 0 0.1048 3.4648 4.3510 H 0 0 0 0 0 0 0 0 0 1.9728 3.5415 2.7557 H 0 0 0 0 0 0 0 0 0 2.3823 2.5241 4.1371 H 0 0 0 0 0 0 0 0 0 1.9259 1.7851 2.6053 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 7 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 16 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 M END > 208914 > K $$$$ 211489 1016 111283D 211489 54 59 1 1 V2000 0.0878 0.2049 -0.5460 O 0 0 0 0 0 0 0 0 0 2.8044 3.4505 -0.3560 O 0 0 0 0 0 0 0 0 0 4.2392 2.0707 0.6174 O 0 0 0 0 0 0 0 0 0 -3.0300 -5.1178 -2.0043 O 0 0 0 0 0 0 0 0 0 -1.1287 -5.7804 -0.7722 O 0 0 0 0 0 0 0 0 0 -2.5016 -2.7198 -1.9460 C 0 0 0 0 0 0 0 0 0 -1.5842 -1.7780 -1.4928 C 0 0 0 0 0 0 0 0 0 -2.2716 -4.0561 -1.6600 C 0 0 0 0 0 0 0 0 0 -0.4546 -2.1627 -0.7724 C 0 0 0 0 0 0 0 0 0 -1.1627 -4.4426 -0.9444 C 0 0 0 0 0 0 0 0 0 0.4948 -1.0811 -0.3255 C 0 0 0 0 0 0 0 0 0 -0.2417 -3.5113 -0.4919 C 0 0 0 0 0 0 0 0 0 1.6720 -1.3643 0.2550 C 0 0 0 0 0 0 0 0 0 2.5927 -0.2644 0.6961 C 0 0 1 0 0 0 0 0 0 2.1973 1.0610 0.1150 C 0 0 0 0 0 0 0 0 0 0.9886 1.2239 -0.4342 C 0 0 0 0 0 0 0 0 0 0.6164 2.5823 -0.9446 C 0 0 0 0 0 0 0 0 0 -0.6444 2.8111 -1.4818 C 0 0 0 0 0 0 0 0 0 -0.9776 4.0742 -1.9531 C 0 0 0 0 0 0 0 0 0 2.5473 -0.1718 2.1995 C 0 0 0 0 0 0 0 0 0 3.7059 -0.3295 2.9505 C 0 0 0 0 0 0 0 0 0 3.6803 -0.2366 4.3402 C 0 0 0 0 0 0 0 0 0 1.3458 0.0730 2.8528 C 0 0 0 0 0 0 0 0 0 2.4729 0.0143 4.9894 C 0 0 0 0 0 0 0 0 0 -0.0494 5.1050 -1.8860 C 0 0 0 0 0 0 0 0 0 1.5511 3.6116 -0.8728 C 0 0 0 0 0 0 0 0 0 3.1408 2.2255 0.1405 C 0 0 0 0 0 0 0 0 0 1.3110 0.1655 4.2367 C 0 0 0 0 0 0 0 0 0 1.2091 4.8715 -1.3462 C 0 0 0 0 0 0 0 0 0 -2.3629 -6.1887 -1.3485 C 0 0 0 0 0 0 0 0 0 4.7955 -0.3784 5.1211 O 0 0 0 0 0 0 0 0 0 5.9563 -0.9722 4.5738 C 0 0 0 0 0 0 0 0 0 2.5000 0.0975 6.3550 O 0 0 0 0 0 0 0 0 0 1.3066 0.3775 7.0587 C 0 0 0 0 0 0 0 0 0 -3.3506 -2.4316 -2.4918 H 0 0 0 0 0 0 0 0 0 -1.7479 -0.7607 -1.7002 H 0 0 0 0 0 0 0 0 0 0.5917 -3.8409 0.0516 H 0 0 0 0 0 0 0 0 0 1.9687 -2.3574 0.4131 H 0 0 0 0 0 0 0 0 0 3.5933 -0.5010 0.3628 H 0 0 0 0 0 0 0 0 0 -1.3457 2.0300 -1.5315 H 0 0 0 0 0 0 0 0 0 -1.9304 4.2496 -2.3598 H 0 0 0 0 0 0 0 0 0 4.6106 -0.5207 2.4565 H 0 0 0 0 0 0 0 0 0 0.4578 0.1893 2.3022 H 0 0 0 0 0 0 0 0 0 -0.2988 6.0611 -2.2433 H 0 0 0 0 0 0 0 0 0 0.3920 0.3517 4.7061 H 0 0 0 0 0 0 0 0 0 1.9114 5.6503 -1.2930 H 0 0 0 0 0 0 0 0 0 -3.0044 -6.5552 -0.5584 H 0 0 0 0 0 0 0 0 0 -2.1892 -6.9954 -2.0469 H 0 0 0 0 0 0 0 0 0 6.7037 -1.0455 5.3504 H 0 0 0 0 0 0 0 0 0 5.7407 -1.9679 4.2122 H 0 0 0 0 0 0 0 0 0 6.3521 -0.3640 3.7731 H 0 0 0 0 0 0 0 0 0 0.5730 -0.3964 6.8831 H 0 0 0 0 0 0 0 0 0 1.5306 0.4049 8.1150 H 0 0 0 0 0 0 0 0 0 0.9105 1.3397 6.7665 H 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 27 2 0 0 0 0 4 8 1 0 0 0 0 4 30 1 0 0 0 0 5 10 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 1 0 0 0 14 39 1 6 0 0 0 15 27 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 26 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 25 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 31 1 0 0 0 0 22 24 2 0 0 0 0 23 28 2 0 0 0 0 23 43 1 0 0 0 0 24 33 1 0 0 0 0 24 28 1 0 0 0 0 25 29 2 0 0 0 0 25 44 1 0 0 0 0 26 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 M END > 211489 > K $$$$ 215989 1016 111283D 215989 29 31 0 2 V2000 -0.3209 1.0644 -0.7944 O 0 0 0 0 0 0 0 0 0 0.5000 2.6444 -2.0845 O 0 0 0 0 0 0 0 0 0 -1.1537 -0.6735 0.5681 C 0 0 0 0 0 0 0 0 0 -0.9651 -1.6863 1.5005 C 0 0 0 0 0 0 0 0 0 -0.0780 0.0828 0.1212 C 0 0 0 0 0 0 0 0 0 0.3071 -1.9500 1.9911 C 0 0 0 0 0 0 0 0 0 1.1928 -0.1861 0.6189 C 0 0 0 0 0 0 0 0 0 1.3882 -1.1991 1.5495 C 0 0 0 0 0 0 0 0 0 2.3494 0.6324 0.1381 C 0 0 0 0 0 0 0 0 0 2.1498 1.5957 -0.7724 C 0 0 0 0 0 0 0 0 0 0.7332 1.7996 -1.2540 C 0 0 0 0 0 0 0 0 0 3.3015 2.4352 -1.2881 C 0 0 0 0 0 0 0 0 0 4.6085 1.9581 -1.2217 C 0 0 0 0 0 0 0 0 0 5.6706 2.7249 -1.6803 C 0 0 0 0 0 0 0 0 0 3.0830 3.6963 -1.8376 C 0 0 0 0 0 0 0 0 0 5.4427 3.9813 -2.2220 C 0 0 0 0 0 0 0 0 0 4.1434 4.4643 -2.3038 C 0 0 0 0 0 0 0 0 0 6.5058 4.7023 -2.6570 N 0 3 0 0 0 0 0 0 0 6.3615 5.8389 -3.1585 O 0 0 0 0 0 0 0 0 0 7.8404 4.1262 -2.5303 O 0 5 0 0 0 0 0 0 0 -2.1149 -0.4746 0.1956 H 0 0 0 0 0 0 0 0 0 -1.7842 -2.2530 1.8346 H 0 0 0 0 0 0 0 0 0 0.4521 -2.7164 2.6955 H 0 0 0 0 0 0 0 0 0 2.3509 -1.3995 1.9207 H 0 0 0 0 0 0 0 0 0 3.3054 0.4403 0.5256 H 0 0 0 0 0 0 0 0 0 4.8141 1.0081 -0.8258 H 0 0 0 0 0 0 0 0 0 6.6534 2.3569 -1.6198 H 0 0 0 0 0 0 0 0 0 2.1110 4.0880 -1.9056 H 0 0 0 0 0 0 0 0 0 3.9612 5.4120 -2.7181 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 17 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 19 2 0 0 0 0 M CHG 2 18 1 20 -1 M END > 215989 > K $$$$ 219734 1016 111283D 219734 72 77 0 1 V2000 11.2577 -10.2210 -0.1309 N 0 0 0 0 0 0 0 0 0 6.0640 1.8054 -9.0509 N 0 0 0 0 0 0 0 0 0 12.0096 -9.3060 1.9047 C 0 0 0 0 0 0 0 0 0 12.4409 -8.2184 2.6510 C 0 0 0 0 0 0 0 0 0 11.6564 -9.1389 0.5724 C 0 0 0 0 0 0 0 0 0 12.5235 -6.9675 2.0548 C 0 0 0 0 0 0 0 0 0 11.7106 -7.8834 -0.0317 C 0 0 0 0 0 0 0 0 0 12.1662 -6.8037 0.7215 C 0 0 0 0 0 0 0 0 0 11.3109 -7.7647 -1.3643 C 0 0 0 0 0 0 0 0 0 10.9426 -8.8996 -2.0814 C 0 0 0 0 0 0 0 0 0 10.5698 -11.2829 -2.1282 C 0 0 0 0 0 0 0 0 0 10.9266 -10.1333 -1.4370 C 0 0 0 0 0 0 0 0 0 10.2239 -11.2080 -3.4709 C 0 0 0 0 0 0 0 0 0 10.2322 -9.9807 -4.1194 C 0 0 0 0 0 0 0 0 0 10.5869 -8.8319 -3.4258 C 0 0 0 0 0 0 0 0 0 7.4338 0.3620 -7.1621 C 0 0 0 0 0 0 0 0 0 8.1343 1.1391 -8.0830 C 0 0 0 0 0 0 0 0 0 5.3086 -0.3581 -6.2225 C 0 0 0 0 0 0 0 0 0 3.9209 -0.3459 -6.2541 C 0 0 0 0 0 0 0 0 0 6.0423 0.3599 -7.1627 C 0 0 0 0 0 0 0 0 0 9.5242 1.2268 -8.0802 C 0 0 0 0 0 0 0 0 0 10.1856 1.9978 -9.0269 C 0 0 0 0 0 0 0 0 0 3.2563 0.3834 -7.2306 C 0 0 0 0 0 0 0 0 0 5.3695 1.0951 -8.1346 C 0 0 0 0 0 0 0 0 0 7.4147 1.8557 -9.0363 C 0 0 0 0 0 0 0 0 0 9.4607 2.6995 -9.9803 C 0 0 0 0 0 0 0 0 0 3.9819 1.1035 -8.1706 C 0 0 0 0 0 0 0 0 0 8.0741 2.6294 -9.9819 C 0 0 0 0 0 0 0 0 0 11.2582 -6.5690 -2.0215 N 0 0 0 0 0 0 0 0 0 8.0831 -0.4094 -6.2477 N 0 0 0 0 0 0 0 0 0 10.4534 -5.4725 -1.5602 C 0 0 0 0 0 0 0 0 0 8.2228 -4.3967 -2.1458 C 0 0 0 0 0 0 0 0 0 7.3132 -4.2777 -4.5613 C 0 0 0 0 0 0 0 0 0 8.2956 -2.7957 -6.3555 C 0 0 0 0 0 0 0 0 0 8.9742 -1.4612 -6.6566 C 0 0 0 0 0 0 0 0 0 7.9922 -2.9437 -4.8637 C 0 0 0 0 0 0 0 0 0 7.0009 -4.4427 -3.0701 C 0 0 0 0 0 0 0 0 0 9.2282 -5.5006 -2.4702 C 0 0 0 0 0 0 0 0 0 11.9497 -10.2574 2.3456 H 0 0 0 0 0 0 0 0 0 12.7035 -8.3429 3.6609 H 0 0 0 0 0 0 0 0 0 12.8576 -6.1441 2.6157 H 0 0 0 0 0 0 0 0 0 12.2469 -5.8504 0.2901 H 0 0 0 0 0 0 0 0 0 10.5631 -12.2079 -1.6319 H 0 0 0 0 0 0 0 0 0 9.9564 -12.0776 -3.9952 H 0 0 0 0 0 0 0 0 0 9.9704 -9.9187 -5.1347 H 0 0 0 0 0 0 0 0 0 10.5829 -7.9122 -3.9323 H 0 0 0 0 0 0 0 0 0 5.7950 -0.9157 -5.4794 H 0 0 0 0 0 0 0 0 0 3.3759 -0.8891 -5.5388 H 0 0 0 0 0 0 0 0 0 10.0905 0.7122 -7.3619 H 0 0 0 0 0 0 0 0 0 11.2350 2.0499 -9.0209 H 0 0 0 0 0 0 0 0 0 2.2065 0.3903 -7.2577 H 0 0 0 0 0 0 0 0 0 9.9599 3.2820 -10.6979 H 0 0 0 0 0 0 0 0 0 3.4842 1.6566 -8.9110 H 0 0 0 0 0 0 0 0 0 7.5200 3.1612 -10.6978 H 0 0 0 0 0 0 0 0 0 11.7697 -6.4594 -2.8403 H 0 0 0 0 0 0 0 0 0 7.9286 -0.2484 -5.3024 H 0 0 0 0 0 0 0 0 0 10.1381 -5.5935 -0.5332 H 0 0 0 0 0 0 0 0 0 10.9812 -4.5353 -1.6713 H 0 0 0 0 0 0 0 0 0 8.7071 -3.4341 -2.2216 H 0 0 0 0 0 0 0 0 0 7.8836 -4.5242 -1.1279 H 0 0 0 0 0 0 0 0 0 6.3827 -4.3252 -5.1095 H 0 0 0 0 0 0 0 0 0 7.9444 -5.0855 -4.9007 H 0 0 0 0 0 0 0 0 0 7.3763 -2.8545 -6.9212 H 0 0 0 0 0 0 0 0 0 8.9504 -3.5968 -6.6670 H 0 0 0 0 0 0 0 0 0 9.1648 -1.4171 -7.7209 H 0 0 0 0 0 0 0 0 0 9.9163 -1.3913 -6.1312 H 0 0 0 0 0 0 0 0 0 7.3312 -2.1566 -4.5348 H 0 0 0 0 0 0 0 0 0 8.9228 -2.8657 -4.3214 H 0 0 0 0 0 0 0 0 0 6.5009 -5.3912 -2.9350 H 0 0 0 0 0 0 0 0 0 6.3194 -3.6591 -2.7707 H 0 0 0 0 0 0 0 0 0 9.5721 -5.3926 -3.4884 H 0 0 0 0 0 0 0 0 0 8.7421 -6.4610 -2.3685 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 2 0 0 0 0 2 24 1 0 0 0 0 2 25 2 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 6 1 0 0 0 0 4 40 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 42 1 0 0 0 0 9 29 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 16 30 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 25 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 23 1 0 0 0 0 19 48 1 0 0 0 0 20 24 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 23 27 2 0 0 0 0 23 51 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 35 1 0 0 0 0 30 56 1 0 0 0 0 31 38 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 M END > 219734 > K $$$$ 221019 1016 111283D 221019 55 59 1 1 V2000 1.7806 2.3212 -1.0847 O 0 0 0 0 0 0 0 0 0 0.7411 0.3511 -0.7808 O 0 0 0 0 0 0 0 0 0 4.3705 0.7430 2.1271 O 0 0 0 0 0 0 0 0 0 2.8604 -4.1609 3.0745 C 0 0 1 0 0 0 0 0 0 2.1369 -4.1076 3.8784 H 0 0 0 0 0 0 0 0 0 4.6858 -1.9559 3.5240 O 0 0 0 0 0 0 0 0 0 2.3474 -7.5527 2.8199 O 0 0 0 0 0 0 0 0 0 2.8087 -6.4478 2.9752 C 0 0 0 0 0 0 0 0 0 2.4610 -5.2812 2.1031 C 0 0 1 0 0 0 0 0 0 0.9833 -5.0787 1.7592 C 0 0 0 0 0 0 0 0 0 0.6674 -3.6079 1.4187 C 0 0 2 0 0 0 0 0 0 3.7851 -6.1113 4.0599 C 0 0 0 0 0 0 0 0 0 1.8234 -2.6325 1.4649 C 0 0 0 0 0 0 0 0 0 4.1648 -4.6747 3.6906 C 0 0 0 0 0 0 0 0 0 1.8463 -1.4666 0.4882 C 0 0 1 0 0 0 0 0 0 0.5350 -0.7319 0.1342 C 0 0 1 0 0 0 0 0 0 2.8028 -2.8287 2.3760 C 0 0 0 0 0 0 0 0 0 2.7368 -0.3799 0.9976 C 0 0 0 0 0 0 0 0 0 3.8177 -1.7590 2.7071 C 0 0 0 0 0 0 0 0 0 2.7329 0.9035 0.5325 C 0 0 0 0 0 0 0 0 0 1.7250 1.2637 -0.5052 C 0 0 0 0 0 0 0 0 0 3.6889 -0.4538 1.9836 C 0 0 0 0 0 0 0 0 0 3.7396 1.5688 1.2061 C 0 0 0 0 0 0 0 0 0 -0.7419 0.9776 1.3857 O 0 0 0 0 0 0 0 0 0 -1.5864 1.2380 2.4915 C 0 0 0 0 0 0 0 0 0 -0.2252 -0.3375 1.4127 C 0 0 0 0 0 0 0 0 0 2.4605 -1.9881 -0.8188 C 0 0 0 0 0 0 0 0 0 -0.0872 -3.0484 2.4739 O 0 0 0 0 0 0 0 0 0 -1.3752 -3.4675 2.5635 C 0 0 0 0 0 0 0 0 0 -1.8600 -4.1734 1.7126 O 0 0 0 0 0 0 0 0 0 -2.1773 -3.0311 3.7462 C 0 0 0 0 0 0 0 0 0 3.2852 -5.3987 0.8086 C 0 0 0 0 0 0 0 0 0 0.6980 -5.7212 0.9384 H 0 0 0 0 0 0 0 0 0 0.3907 -5.3643 2.6162 H 0 0 0 0 0 0 0 0 0 0.1451 -3.5474 0.4727 H 0 0 0 0 0 0 0 0 0 3.2719 -6.1344 5.0105 H 0 0 0 0 0 0 0 0 0 4.6361 -6.7759 4.0726 H 0 0 0 0 0 0 0 0 0 4.9622 -4.6673 2.9606 H 0 0 0 0 0 0 0 0 0 4.4662 -4.1064 4.5587 H 0 0 0 0 0 0 0 0 0 -0.1086 -1.4183 -0.3981 H 0 0 0 0 0 0 0 0 0 3.9933 2.5755 1.0415 H 0 0 0 0 0 0 0 0 0 -1.0690 1.0708 3.4265 H 0 0 0 0 0 0 0 0 0 -1.9079 2.2685 2.4575 H 0 0 0 0 0 0 0 0 0 -2.4626 0.6057 2.4513 H 0 0 0 0 0 0 0 0 0 -1.0337 -1.0429 1.5367 H 0 0 0 0 0 0 0 0 0 0.4254 -0.4195 2.2727 H 0 0 0 0 0 0 0 0 0 2.5538 -1.1921 -1.5445 H 0 0 0 0 0 0 0 0 0 3.4443 -2.3991 -0.6410 H 0 0 0 0 0 0 0 0 0 1.8316 -2.7589 -1.2413 H 0 0 0 0 0 0 0 0 0 -1.8721 -3.6170 4.6003 H 0 0 0 0 0 0 0 0 0 -1.9825 -1.9871 3.9413 H 0 0 0 0 0 0 0 0 0 -3.2287 -3.1809 3.5553 H 0 0 0 0 0 0 0 0 0 2.9662 -6.2731 0.2584 H 0 0 0 0 0 0 0 0 0 3.1433 -4.5370 0.1758 H 0 0 0 0 0 0 0 0 0 4.3396 -5.5008 1.0175 H 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 9 1 0 0 0 0 4 17 1 6 0 0 0 4 14 1 0 0 0 0 4 5 1 1 0 0 0 6 19 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 6 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 28 1 1 0 0 0 11 13 1 0 0 0 0 11 35 1 6 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 1 0 0 0 15 27 1 6 0 0 0 16 26 1 1 0 0 0 16 40 1 6 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END > 221019 > K $$$$ 224117 1016 111283D 224117 42 42 1 1 V2000 11.5580 1.6852 -7.3685 H 0 0 0 0 0 0 0 0 0 13.2054 3.1631 -8.3905 O 0 0 0 0 0 0 0 0 0 11.6914 2.5269 -6.9113 N 0 0 0 0 0 0 0 0 0 12.5767 3.4211 -7.3948 C 0 0 0 0 0 0 0 0 0 10.2105 1.9786 -5.3955 O 0 0 0 0 0 0 0 0 0 10.9931 2.8081 -5.7895 C 0 0 0 0 0 0 0 0 0 12.7639 4.6085 -6.7681 N 0 0 0 0 0 0 0 0 0 13.4092 5.2159 -7.1614 H 0 0 0 0 0 0 0 0 0 11.2030 4.1187 -5.0741 C 0 0 0 0 0 0 0 0 0 12.0900 4.9626 -5.6326 C 0 0 0 0 0 0 0 0 0 10.4637 4.4697 -3.8017 C 0 0 0 0 0 0 0 0 0 10.6793 5.3809 -3.3248 H 0 0 0 0 0 0 0 0 0 9.2665 2.7669 -3.6788 H 0 0 0 0 0 0 0 0 0 9.5395 3.6774 -3.2401 C 0 0 0 0 0 0 0 0 0 9.1771 5.0939 -1.4002 O 0 0 0 0 0 0 0 0 0 8.8653 4.0709 -1.9603 C 0 0 0 0 0 0 0 0 0 7.3149 3.5583 -0.1465 C 0 0 2 0 0 0 0 0 0 7.9136 4.2646 0.4126 H 0 0 0 0 0 0 0 0 0 12.3745 6.3163 -5.0394 C 0 0 0 0 0 0 0 0 0 7.9031 3.2757 -1.4288 N 0 0 0 0 0 0 0 0 0 7.1953 2.2618 0.6606 C 0 0 0 0 0 0 0 0 0 5.9398 4.1912 -0.3580 C 0 0 0 0 0 0 0 0 0 5.3283 4.4348 0.8905 O 0 0 0 0 0 0 0 0 0 8.5356 1.5422 0.8653 C 0 0 0 0 0 0 0 0 0 9.5000 2.3489 1.7388 C 0 0 0 0 0 0 0 0 0 8.2926 0.1699 1.4967 C 0 0 0 0 0 0 0 0 0 13.0912 6.8495 -5.6464 H 0 0 0 0 0 0 0 0 0 11.4629 6.8947 -4.9964 H 0 0 0 0 0 0 0 0 0 12.7794 6.2031 -4.0445 H 0 0 0 0 0 0 0 0 0 7.6062 2.4983 -1.9276 H 0 0 0 0 0 0 0 0 0 6.7565 2.4830 1.6236 H 0 0 0 0 0 0 0 0 0 6.5283 1.5989 0.1276 H 0 0 0 0 0 0 0 0 0 6.0658 5.1195 -0.8981 H 0 0 0 0 0 0 0 0 0 5.3262 3.5229 -0.9463 H 0 0 0 0 0 0 0 0 0 4.4764 4.8347 0.7460 H 0 0 0 0 0 0 0 0 0 9.0002 1.3827 -0.0979 H 0 0 0 0 0 0 0 0 0 10.4202 1.7984 1.8721 H 0 0 0 0 0 0 0 0 0 9.7339 3.2922 1.2678 H 0 0 0 0 0 0 0 0 0 9.0578 2.5359 2.7068 H 0 0 0 0 0 0 0 0 0 7.8332 0.2815 2.4684 H 0 0 0 0 0 0 0 0 0 7.6411 -0.4148 0.8631 H 0 0 0 0 0 0 0 0 0 9.2302 -0.3557 1.6063 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 1 0 0 0 17 21 1 6 0 0 0 17 18 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 24 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > 224117 > K $$$$ 224124 1016 111283D 224124 36 37 0 1 V2000 2.4841 -5.9416 4.3522 C 0 0 0 0 0 0 0 0 0 1.7108 -6.0633 3.2093 C 0 0 0 0 0 0 0 0 0 3.2499 -4.8054 4.5632 C 0 0 0 0 0 0 0 0 0 1.6967 -5.0518 2.2613 C 0 0 0 0 0 0 0 0 0 3.2409 -3.7788 3.6165 C 0 0 0 0 0 0 0 0 0 2.4667 -3.9042 2.4618 C 0 0 0 0 0 0 0 0 0 4.0548 -2.5219 3.8093 C 0 0 0 0 0 0 0 0 0 4.7370 -2.3528 4.7905 O 0 0 0 0 0 0 0 0 0 2.4856 -2.7819 1.4524 C 0 0 0 0 0 0 0 0 0 1.8435 -2.8364 0.4320 O 0 0 0 0 0 0 0 0 0 4.0490 -1.4246 2.7857 C 0 0 0 0 0 0 0 0 0 3.3078 -1.5466 1.6750 C 0 0 0 0 0 0 0 0 0 2.4374 0.5515 1.1471 O 0 0 0 0 0 0 0 0 0 6.0310 -0.3370 2.2155 O 0 0 0 0 0 0 0 0 0 2.2203 1.5496 0.2539 C 0 0 0 0 0 0 0 0 0 6.6978 1.6059 3.1180 O 0 0 0 0 0 0 0 0 0 2.8199 1.6140 -0.7915 O 0 0 0 0 0 0 0 0 0 6.9387 0.6504 2.4210 C 0 0 0 0 0 0 0 0 0 3.9558 -4.8251 5.7259 O 0 0 0 0 0 0 0 0 0 0.8941 -5.3088 1.1937 O 0 0 0 0 0 0 0 0 0 4.8922 -0.2068 3.0423 C 0 0 0 0 0 0 0 0 0 3.2684 -0.4675 0.6290 C 0 0 0 0 0 0 0 0 0 8.1423 0.5539 1.8253 N 0 0 0 0 0 0 0 0 0 1.3067 2.4932 0.5505 N 0 0 0 0 0 0 0 0 0 2.4936 -6.7120 5.0666 H 0 0 0 0 0 0 0 0 0 1.1301 -6.9250 3.0552 H 0 0 0 0 0 0 0 0 0 4.4687 -4.0421 5.8714 H 0 0 0 0 0 0 0 0 0 0.8959 -4.6203 0.5432 H 0 0 0 0 0 0 0 0 0 4.3403 0.6936 2.8053 H 0 0 0 0 0 0 0 0 0 5.1769 -0.1712 4.0861 H 0 0 0 0 0 0 0 0 0 4.2645 -0.0939 0.4307 H 0 0 0 0 0 0 0 0 0 2.8605 -0.8650 -0.2916 H 0 0 0 0 0 0 0 0 0 8.7946 1.2585 1.9477 H 0 0 0 0 0 0 0 0 0 8.3450 -0.2198 1.2805 H 0 0 0 0 0 0 0 0 0 1.1535 3.2220 -0.0679 H 0 0 0 0 0 0 0 0 0 0.8105 2.4339 1.3792 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 2 4 2 0 0 0 0 2 26 1 0 0 0 0 3 19 1 0 0 0 0 3 5 1 0 0 0 0 4 20 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 11 21 1 0 0 0 0 11 12 2 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 18 23 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 M END > 224124 > K $$$$ 226080 1016 111283D 226080 144147 1 1 V2000 -0.5826 -4.3341 -6.4975 H 0 0 0 0 0 0 0 0 0 -1.7531 -4.4501 -4.3957 H 0 0 0 0 0 0 0 0 0 -2.9357 -4.5720 -2.2266 H 0 0 0 0 0 0 0 0 0 -0.2487 -1.8636 -4.6218 H 0 0 0 0 0 0 0 0 0 -1.3251 -2.0474 -2.4458 H 0 0 0 0 0 0 0 0 0 4.4195 0.2025 -6.7533 O 0 0 0 0 0 0 0 0 0 6.5198 -0.5648 -4.0772 O 0 0 0 0 0 0 0 0 0 0.4927 -4.1970 1.8750 O 0 0 0 0 0 0 0 0 0 7.3659 0.7686 -7.1142 O 0 0 0 0 0 0 0 0 0 8.4009 0.5315 -4.4940 N 0 0 0 0 0 0 0 0 0 6.3585 1.6421 -2.6610 O 0 0 0 0 0 0 0 0 0 7.5664 0.8924 -0.9268 O 0 0 0 0 0 0 0 0 0 4.0976 -2.9356 2.4020 H 0 0 0 0 0 0 0 0 0 4.7282 0.6601 2.0941 O 0 0 0 0 0 0 0 0 0 -2.8122 -3.1611 -0.5222 C 0 0 1 0 0 0 0 0 0 -2.5133 -3.6630 -1.9107 C 0 0 0 0 0 0 0 0 0 -1.4819 -2.8059 0.1547 C 0 0 0 0 0 0 0 0 0 -1.4358 -2.9230 1.6800 C 0 0 1 0 0 0 0 0 0 0.0246 -3.0889 2.0013 C 0 0 0 0 0 0 0 0 0 -1.7198 -2.9750 -2.7433 C 0 0 0 0 0 0 0 0 0 0.9134 -1.9628 2.4513 C 0 0 1 0 0 0 0 0 0 1.8537 -2.4866 3.5396 C 0 0 1 0 0 0 0 0 0 3.0842 -1.6212 3.6068 C 0 0 0 0 0 0 0 0 0 4.1820 -2.0460 2.9567 C 0 0 0 0 0 0 0 0 0 -1.3807 -3.5132 -4.0986 C 0 0 0 0 0 0 0 0 0 5.5335 -1.3793 2.9347 C 0 0 1 0 0 0 0 0 0 -0.6052 -2.8027 -4.9265 C 0 0 0 0 0 0 0 0 0 5.5520 -0.2152 1.9835 C 0 0 0 0 0 0 0 0 0 -0.2561 -3.3598 -6.2766 C 0 0 0 0 0 0 0 0 0 6.5930 -0.1407 0.9040 C 0 0 0 0 0 0 0 0 0 0.4414 -2.6941 -7.2111 C 0 0 0 0 0 0 0 0 0 6.4005 0.9768 -0.1276 C 0 0 1 0 0 0 0 0 0 0.9394 -1.2769 -7.0452 C 0 0 1 0 0 0 0 0 0 2.4323 -1.2561 -6.6762 C 0 0 0 0 0 0 0 0 0 3.2106 -0.1547 -7.4075 C 0 0 2 0 0 0 0 0 0 3.4702 -0.4775 -8.8834 C 0 0 0 0 0 0 0 0 0 4.5565 -1.5416 -9.0162 C 0 0 0 0 0 0 0 0 0 5.8227 -1.0436 -8.3205 C 0 0 1 0 0 0 0 0 0 7.2061 -0.0089 -4.9014 C 0 0 0 0 0 0 0 0 0 6.7442 0.0752 -6.3377 C 0 0 0 0 0 0 0 0 0 5.5316 -0.6731 -6.8532 C 0 0 1 0 0 0 0 0 0 10.0095 2.0162 -5.5584 C 0 0 0 0 0 0 0 0 0 9.5333 0.5751 -5.3930 C 0 0 0 0 0 0 0 0 0 10.3756 2.5771 -4.1851 C 0 0 0 0 0 0 0 0 0 9.1620 2.4992 -3.2597 C 0 0 0 0 0 0 0 0 0 8.5929 1.0770 -3.1591 C 0 0 1 0 0 0 0 0 0 7.4113 1.2265 -2.2382 C 0 0 0 0 0 0 0 0 0 7.5719 4.1425 1.8838 C 0 0 1 0 0 0 0 0 0 6.3684 4.4966 2.7660 C 0 0 0 0 0 0 0 0 0 8.8594 4.3115 2.6956 C 0 0 0 0 0 0 0 0 0 6.4892 5.9407 3.2558 C 0 0 0 0 0 0 0 0 0 9.0087 5.7474 3.1938 C 0 0 1 0 0 0 0 0 0 7.7929 6.1740 4.0253 C 0 0 1 0 0 0 0 0 0 0.7528 -3.3881 -8.5098 C 0 0 0 0 0 0 0 0 0 0.7195 -0.5941 -8.2665 O 0 0 0 0 0 0 0 0 0 -0.6215 -0.1910 -8.4727 C 0 0 0 0 0 0 0 0 0 -3.8018 -1.9959 -0.6015 C 0 0 0 0 0 0 0 0 0 -2.1284 -1.7778 2.4253 C 0 0 0 0 0 0 0 0 0 5.1592 -1.8266 -6.1271 O 0 0 0 0 0 0 0 0 0 6.9384 -2.0829 -8.4673 C 0 0 0 0 0 0 0 0 0 1.6273 -1.4999 1.3146 O 0 0 0 0 0 0 0 0 0 1.4993 -0.1121 1.0745 C 0 0 0 0 0 0 0 0 0 1.1764 -2.4653 4.7798 O 0 0 0 0 0 0 0 0 0 3.0030 -0.3414 4.3944 C 0 0 0 0 0 0 0 0 0 7.8786 7.5519 4.3224 O 0 0 0 0 0 0 0 0 0 7.5105 2.7142 1.3340 C 0 0 0 0 0 0 0 0 0 6.2835 2.3918 0.4697 C 0 0 1 0 0 0 0 0 0 6.0450 3.4392 -0.6232 C 0 0 0 0 0 0 0 0 0 6.1009 -0.9971 4.3027 C 0 0 0 0 0 0 0 0 0 10.1767 5.7458 3.9942 O 0 0 0 0 0 0 0 0 0 11.0948 6.7670 3.6615 C 0 0 0 0 0 0 0 0 0 -3.2752 -3.9754 0.0177 H 0 0 0 0 0 0 0 0 0 -0.7620 -3.5220 -0.2217 H 0 0 0 0 0 0 0 0 0 -1.1497 -1.8230 -0.1492 H 0 0 0 0 0 0 0 0 0 -1.9141 -3.8466 1.9736 H 0 0 0 0 0 0 0 0 0 0.3263 -1.1824 2.9124 H 0 0 0 0 0 0 0 0 0 2.1448 -3.5025 3.3040 H 0 0 0 0 0 0 0 0 0 6.2073 -2.1276 2.5410 H 0 0 0 0 0 0 0 0 0 7.5560 -0.0215 1.3765 H 0 0 0 0 0 0 0 0 0 6.5990 -1.0809 0.3725 H 0 0 0 0 0 0 0 0 0 5.5015 0.7474 -0.6868 H 0 0 0 0 0 0 0 0 0 0.4089 -0.7500 -6.2651 H 0 0 0 0 0 0 0 0 0 2.5138 -1.0812 -5.6134 H 0 0 0 0 0 0 0 0 0 2.8927 -2.2103 -6.8809 H 0 0 0 0 0 0 0 0 0 2.5876 0.7287 -7.3775 H 0 0 0 0 0 0 0 0 0 2.5741 -0.8209 -9.3772 H 0 0 0 0 0 0 0 0 0 3.8037 0.4251 -9.3750 H 0 0 0 0 0 0 0 0 0 4.2298 -2.4716 -8.5743 H 0 0 0 0 0 0 0 0 0 4.7565 -1.7105 -10.0648 H 0 0 0 0 0 0 0 0 0 6.1322 -0.1474 -8.8406 H 0 0 0 0 0 0 0 0 0 10.8725 2.0465 -6.2076 H 0 0 0 0 0 0 0 0 0 9.2172 2.6058 -5.9988 H 0 0 0 0 0 0 0 0 0 10.3367 -0.0123 -4.9698 H 0 0 0 0 0 0 0 0 0 9.3223 0.1600 -6.3673 H 0 0 0 0 0 0 0 0 0 11.1909 2.0068 -3.7626 H 0 0 0 0 0 0 0 0 0 10.6856 3.6075 -4.2867 H 0 0 0 0 0 0 0 0 0 9.4453 2.8542 -2.2781 H 0 0 0 0 0 0 0 0 0 8.3970 3.1521 -3.6573 H 0 0 0 0 0 0 0 0 0 9.3075 0.4523 -2.6435 H 0 0 0 0 0 0 0 0 0 7.6121 4.8290 1.0496 H 0 0 0 0 0 0 0 0 0 5.4504 4.4028 2.2042 H 0 0 0 0 0 0 0 0 0 6.3240 3.8271 3.6136 H 0 0 0 0 0 0 0 0 0 8.8477 3.6448 3.5464 H 0 0 0 0 0 0 0 0 0 9.7165 4.0723 2.0827 H 0 0 0 0 0 0 0 0 0 6.4664 6.6043 2.4028 H 0 0 0 0 0 0 0 0 0 5.6501 6.1747 3.8947 H 0 0 0 0 0 0 0 0 0 9.0805 6.4039 2.3361 H 0 0 0 0 0 0 0 0 0 7.7907 5.5901 4.9361 H 0 0 0 0 0 0 0 0 0 0.3445 -4.3883 -8.5334 H 0 0 0 0 0 0 0 0 0 0.3298 -2.8233 -9.3274 H 0 0 0 0 0 0 0 0 0 1.8229 -3.4465 -8.6404 H 0 0 0 0 0 0 0 0 0 -1.2897 -1.0406 -8.4590 H 0 0 0 0 0 0 0 0 0 -0.9251 0.5167 -7.7142 H 0 0 0 0 0 0 0 0 0 -0.6940 0.2882 -9.4380 H 0 0 0 0 0 0 0 0 0 -4.6759 -2.3009 -1.1589 H 0 0 0 0 0 0 0 0 0 -4.1198 -1.6938 0.3833 H 0 0 0 0 0 0 0 0 0 -3.3466 -1.1516 -1.0990 H 0 0 0 0 0 0 0 0 0 -1.9366 -1.8643 3.4853 H 0 0 0 0 0 0 0 0 0 -1.7669 -0.8222 2.0741 H 0 0 0 0 0 0 0 0 0 -3.1956 -1.8273 2.2765 H 0 0 0 0 0 0 0 0 0 5.9295 -2.3164 -5.8671 H 0 0 0 0 0 0 0 0 0 7.1209 -2.2744 -9.5150 H 0 0 0 0 0 0 0 0 0 7.8516 -1.7162 -8.0219 H 0 0 0 0 0 0 0 0 0 6.6545 -3.0079 -7.9866 H 0 0 0 0 0 0 0 0 0 0.4650 0.1477 0.8970 H 0 0 0 0 0 0 0 0 0 1.8772 0.4592 1.9105 H 0 0 0 0 0 0 0 0 0 2.0751 0.1431 0.1972 H 0 0 0 0 0 0 0 0 0 1.7247 -2.8856 5.4358 H 0 0 0 0 0 0 0 0 0 3.4574 -0.4855 5.3631 H 0 0 0 0 0 0 0 0 0 3.4931 0.4695 3.8806 H 0 0 0 0 0 0 0 0 0 1.9687 -0.0669 4.5418 H 0 0 0 0 0 0 0 0 0 7.2202 7.7722 4.9733 H 0 0 0 0 0 0 0 0 0 8.3968 2.5461 0.7381 H 0 0 0 0 0 0 0 0 0 7.5314 2.0335 2.1731 H 0 0 0 0 0 0 0 0 0 5.4074 2.4266 1.0972 H 0 0 0 0 0 0 0 0 0 5.7869 4.3901 -0.1819 H 0 0 0 0 0 0 0 0 0 6.9298 3.5681 -1.2282 H 0 0 0 0 0 0 0 0 0 5.2210 3.1310 -1.2504 H 0 0 0 0 0 0 0 0 0 6.0140 -1.8308 4.9846 H 0 0 0 0 0 0 0 0 0 7.1451 -0.7411 4.1957 H 0 0 0 0 0 0 0 0 0 5.5856 -0.1427 4.7131 H 0 0 0 0 0 0 0 0 0 10.6272 7.7397 3.7254 H 0 0 0 0 0 0 0 0 0 11.9209 6.7305 4.3563 H 0 0 0 0 0 0 0 0 0 11.4770 6.6113 2.6622 H 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 25 1 0 0 0 0 3 16 1 0 0 0 0 4 27 1 0 0 0 0 5 20 1 0 0 0 0 6 35 1 0 0 0 0 6 41 1 0 0 0 0 7 39 2 0 0 0 0 8 19 2 0 0 0 0 9 40 2 0 0 0 0 10 39 1 0 0 0 0 10 46 1 0 0 0 0 10 43 1 0 0 0 0 11 47 2 0 0 0 0 12 32 1 0 0 0 0 12 47 1 0 0 0 0 13 24 1 0 0 0 0 14 28 2 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 15 57 1 0 0 0 0 15 72 1 1 0 0 0 16 20 2 0 0 0 0 17 18 1 0 0 0 0 17 73 1 0 0 0 0 17 74 1 0 0 0 0 18 19 1 6 0 0 0 18 58 1 0 0 0 0 18 75 1 1 0 0 0 19 21 1 0 0 0 0 20 25 1 0 0 0 0 21 61 1 6 0 0 0 21 22 1 1 0 0 0 21 76 1 0 0 0 0 22 63 1 1 0 0 0 22 23 1 6 0 0 0 22 77 1 0 0 0 0 23 64 1 0 0 0 0 23 24 2 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 6 0 0 0 26 69 1 1 0 0 0 26 78 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 32 67 1 6 0 0 0 32 81 1 1 0 0 0 33 55 1 6 0 0 0 33 34 1 0 0 0 0 33 82 1 1 0 0 0 34 35 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 36 1 6 0 0 0 35 85 1 1 0 0 0 36 37 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 37 38 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 41 1 1 0 0 0 38 60 1 0 0 0 0 38 90 1 6 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 59 1 1 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 45 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 45 46 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 47 1 1 0 0 0 46 99 1 0 0 0 0 48 50 1 1 0 0 0 48 66 1 0 0 0 0 48 49 1 6 0 0 0 48100 1 0 0 0 0 49 51 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 50 52 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 51 53 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 52 70 1 1 0 0 0 52 53 1 6 0 0 0 52107 1 0 0 0 0 53 65 1 6 0 0 0 53108 1 1 0 0 0 54109 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 55 56 1 0 0 0 0 56112 1 0 0 0 0 56113 1 0 0 0 0 56114 1 0 0 0 0 57115 1 0 0 0 0 57116 1 0 0 0 0 57117 1 0 0 0 0 58118 1 0 0 0 0 58119 1 0 0 0 0 58120 1 0 0 0 0 59121 1 0 0 0 0 60122 1 0 0 0 0 60123 1 0 0 0 0 60124 1 0 0 0 0 61 62 1 0 0 0 0 62125 1 0 0 0 0 62126 1 0 0 0 0 62127 1 0 0 0 0 63128 1 0 0 0 0 64129 1 0 0 0 0 64130 1 0 0 0 0 64131 1 0 0 0 0 65132 1 0 0 0 0 66 67 1 0 0 0 0 66133 1 0 0 0 0 66134 1 0 0 0 0 67 68 1 0 0 0 0 67135 1 6 0 0 0 68136 1 0 0 0 0 68137 1 0 0 0 0 68138 1 0 0 0 0 69139 1 0 0 0 0 69140 1 0 0 0 0 69141 1 0 0 0 0 70 71 1 0 0 0 0 71142 1 0 0 0 0 71143 1 0 0 0 0 71144 1 0 0 0 0 M END > 226080 > K $$$$ 233872 1016 111283D 233872 37 37 1 1 V2000 14.5729 5.6444 -3.8957 H 0 0 0 0 0 0 0 0 0 15.1107 7.7242 -5.0485 O 0 0 0 0 0 0 0 0 0 13.8841 6.3222 -3.8587 N 0 0 0 0 0 0 0 0 0 14.0794 7.5122 -4.4613 C 0 0 0 0 0 0 0 0 0 12.5954 5.0010 -2.6791 O 0 0 0 0 0 0 0 0 0 12.7273 6.0790 -3.2045 C 0 0 0 0 0 0 0 0 0 13.1232 8.4718 -4.4110 N 0 0 0 0 0 0 0 0 0 13.3161 9.3088 -4.8603 H 0 0 0 0 0 0 0 0 0 11.6537 7.1354 -3.1473 C 0 0 0 0 0 0 0 0 0 11.9314 8.2983 -3.7647 C 0 0 0 0 0 0 0 0 0 10.3375 6.9098 -2.4381 C 0 0 0 0 0 0 0 0 0 9.6441 7.6980 -2.3964 H 0 0 0 0 0 0 0 0 0 10.6349 4.9232 -1.8712 H 0 0 0 0 0 0 0 0 0 9.9963 5.7531 -1.8531 C 0 0 0 0 0 0 0 0 0 7.9216 6.5601 -1.1105 O 0 0 0 0 0 0 0 0 0 8.6781 5.6201 -1.1521 C 0 0 0 0 0 0 0 0 0 7.0638 1.6648 -0.7484 S 0 0 0 0 0 0 0 0 0 10.9538 9.4428 -3.7701 C 0 0 0 0 0 0 0 0 0 8.3298 4.4486 -0.5631 N 0 0 0 0 0 0 0 0 0 7.0791 4.2975 0.1324 C 0 0 1 0 0 0 0 0 0 6.2207 3.2712 -0.6063 C 0 0 0 0 0 0 0 0 0 7.3202 3.8892 1.5850 C 0 0 0 0 0 0 0 0 0 6.0797 3.7957 2.2520 O 0 0 0 0 0 0 0 0 0 6.1336 0.7882 -2.0369 C 0 0 0 0 0 0 0 0 0 11.3527 10.2764 -4.3289 H 0 0 0 0 0 0 0 0 0 10.0258 9.1323 -4.2280 H 0 0 0 0 0 0 0 0 0 10.7669 9.7653 -2.7560 H 0 0 0 0 0 0 0 0 0 8.9390 3.6949 -0.6144 H 0 0 0 0 0 0 0 0 0 6.5322 5.2309 0.1533 H 0 0 0 0 0 0 0 0 0 6.0202 3.6466 -1.5990 H 0 0 0 0 0 0 0 0 0 5.2827 3.1372 -0.0868 H 0 0 0 0 0 0 0 0 0 7.8378 2.9405 1.6166 H 0 0 0 0 0 0 0 0 0 7.9367 4.6419 2.0568 H 0 0 0 0 0 0 0 0 0 6.2339 3.5458 3.1577 H 0 0 0 0 0 0 0 0 0 6.2033 1.3354 -2.9655 H 0 0 0 0 0 0 0 0 0 6.5491 -0.1995 -2.1716 H 0 0 0 0 0 0 0 0 0 5.0976 0.7066 -1.7436 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 18 1 0 0 0 0 11 14 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 6 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 M END > 233872 > K $$$$ 235082 1016 111283D 235082 38 41 0 1 V2000 0.0076 1.3660 0.0131 N 0 0 0 0 0 0 0 0 0 6.3872 -0.0241 -3.1848 C 0 0 0 0 0 0 0 0 0 6.6068 -0.9753 -2.1959 C 0 0 0 0 0 0 0 0 0 5.2523 0.7739 -3.1298 C 0 0 0 0 0 0 0 0 0 5.6971 -1.1253 -1.1566 C 0 0 0 0 0 0 0 0 0 4.3476 0.6216 -2.0892 C 0 0 0 0 0 0 0 0 0 4.5598 -0.3284 -1.0940 C 0 0 0 0 0 0 0 0 0 2.4446 0.0938 -0.0356 C 0 0 0 0 0 0 0 0 0 1.4899 -0.1880 -1.0132 C 0 0 0 0 0 0 0 0 0 3.0520 1.2689 2.0057 C 0 0 0 0 0 0 0 0 0 2.7212 2.1631 3.0155 C 0 0 0 0 0 0 0 0 0 2.1443 0.9876 0.9886 C 0 0 0 0 0 0 0 0 0 1.7158 -1.1138 -2.0291 C 0 0 0 0 0 0 0 0 0 0.7498 -1.3537 -2.9972 C 0 0 0 0 0 0 0 0 0 1.4813 2.7877 3.0130 C 0 0 0 0 0 0 0 0 0 0.9032 1.6194 0.9921 C 0 0 0 0 0 0 0 0 0 0.2667 0.4779 -0.9716 C 0 0 0 0 0 0 0 0 0 -0.4602 -0.6753 -2.9539 C 0 0 0 0 0 0 0 0 0 0.5726 2.5161 1.9989 C 0 0 0 0 0 0 0 0 0 -0.7012 0.2398 -1.9381 C 0 0 0 0 0 0 0 0 0 3.6803 -0.4913 -0.0608 N 0 0 0 0 0 0 0 0 0 7.3674 0.1446 -4.3077 C 0 0 0 0 0 0 0 0 0 7.1700 0.9949 -5.1868 O 0 0 0 0 0 0 0 0 0 8.4757 -0.6309 -4.3698 O 0 0 0 0 0 0 0 0 0 7.4628 -1.5833 -2.2334 H 0 0 0 0 0 0 0 0 0 5.0730 1.4951 -3.8725 H 0 0 0 0 0 0 0 0 0 5.8712 -1.8473 -0.4139 H 0 0 0 0 0 0 0 0 0 3.4977 1.2364 -2.0625 H 0 0 0 0 0 0 0 0 0 3.9957 0.8080 2.0198 H 0 0 0 0 0 0 0 0 0 3.4105 2.3668 3.7817 H 0 0 0 0 0 0 0 0 0 2.6199 -1.6443 -2.0775 H 0 0 0 0 0 0 0 0 0 0.9360 -2.0492 -3.7623 H 0 0 0 0 0 0 0 0 0 1.2311 3.4643 3.7764 H 0 0 0 0 0 0 0 0 0 -1.1907 -0.8543 -3.6869 H 0 0 0 0 0 0 0 0 0 -0.3658 2.9873 1.9905 H 0 0 0 0 0 0 0 0 0 -1.6157 0.7539 -1.8983 H 0 0 0 0 0 0 0 0 0 3.9401 -1.0421 0.6963 H 0 0 0 0 0 0 0 0 0 8.9549 -0.3631 -5.1451 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 2 0 0 0 0 2 22 1 0 0 0 0 2 4 2 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 3 25 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 21 1 0 0 0 0 8 21 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 17 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 38 1 0 0 0 0 M END > 235082 > K $$$$ 240419 1016 111283D 240419 50 51 1 1 V2000 19.4177 -5.0181 0.4393 C 0 0 0 0 0 0 0 0 0 18.5697 -5.2344 -0.6387 C 0 0 0 0 0 0 0 0 0 18.8943 -4.6227 1.6628 C 0 0 0 0 0 0 0 0 0 17.1977 -5.0588 -0.4981 C 0 0 0 0 0 0 0 0 0 17.5238 -4.4525 1.8064 C 0 0 0 0 0 0 0 0 0 16.6706 -4.6724 0.7303 C 0 0 0 0 0 0 0 0 0 15.3267 -4.5120 0.8616 N 0 0 0 0 0 0 0 0 0 14.7942 -4.3841 1.8244 N 0 0 0 0 0 0 0 0 0 13.4423 -4.2208 1.8690 C 0 0 0 0 0 0 0 0 0 12.7433 -4.4216 3.0535 C 0 0 0 0 0 0 0 0 0 12.7414 -3.8485 0.7294 C 0 0 0 0 0 0 0 0 0 11.3624 -4.2528 3.0792 C 0 0 0 0 0 0 0 0 0 11.3647 -3.6845 0.7687 C 0 0 0 0 0 0 0 0 0 10.6423 -3.8836 1.9433 C 0 0 0 0 0 0 0 0 0 9.2710 -3.7202 1.9735 N 0 0 0 0 0 0 0 0 0 7.7346 -2.3344 5.6184 Br 0 0 0 0 0 0 0 0 0 7.3342 -4.6860 -1.6202 Br 0 0 0 0 0 0 0 0 0 16.3081 -5.2920 -1.6871 C 0 0 0 0 0 0 0 0 0 15.0793 -5.1546 -1.6096 O 0 0 0 0 0 0 0 0 0 16.8501 -5.6600 -2.8736 O 0 0 0 0 0 0 0 0 0 13.4779 -4.8214 4.3039 C 0 0 0 0 0 0 0 0 0 8.5326 -3.6734 3.2193 C 0 0 0 0 0 0 0 0 0 8.4905 -3.5861 0.7587 C 0 0 0 0 0 0 0 0 0 8.7759 -2.3492 3.9490 C 0 0 1 0 0 0 0 0 0 8.3995 -4.9233 0.0174 C 0 0 1 0 0 0 0 0 0 8.3704 -1.1414 3.1050 C 0 0 0 0 0 0 0 0 0 7.7552 -6.0154 0.8704 C 0 0 0 0 0 0 0 0 0 20.4539 -5.1531 0.3290 H 0 0 0 0 0 0 0 0 0 18.9694 -5.5322 -1.5642 H 0 0 0 0 0 0 0 0 0 19.5335 -4.4524 2.4789 H 0 0 0 0 0 0 0 0 0 17.1289 -4.1548 2.7329 H 0 0 0 0 0 0 0 0 0 13.2577 -3.6882 -0.1710 H 0 0 0 0 0 0 0 0 0 10.8641 -4.4132 3.9868 H 0 0 0 0 0 0 0 0 0 10.8837 -3.4037 -0.1183 H 0 0 0 0 0 0 0 0 0 16.1325 -5.7502 -3.4903 H 0 0 0 0 0 0 0 0 0 14.2180 -4.0713 4.5414 H 0 0 0 0 0 0 0 0 0 12.7998 -4.9198 5.1394 H 0 0 0 0 0 0 0 0 0 13.9728 -5.7682 4.1425 H 0 0 0 0 0 0 0 0 0 7.4689 -3.7633 3.0464 H 0 0 0 0 0 0 0 0 0 8.7988 -4.5013 3.8592 H 0 0 0 0 0 0 0 0 0 7.4825 -3.2591 0.9728 H 0 0 0 0 0 0 0 0 0 8.9128 -2.8335 0.1097 H 0 0 0 0 0 0 0 0 0 9.8234 -2.2607 4.1972 H 0 0 0 0 0 0 0 0 0 9.3910 -5.2474 -0.2624 H 0 0 0 0 0 0 0 0 0 8.5061 -0.2363 3.6789 H 0 0 0 0 0 0 0 0 0 8.9851 -1.0871 2.2180 H 0 0 0 0 0 0 0 0 0 7.3330 -1.2242 2.8157 H 0 0 0 0 0 0 0 0 0 6.7427 -5.7376 1.1244 H 0 0 0 0 0 0 0 0 0 7.7395 -6.9430 0.3170 H 0 0 0 0 0 0 0 0 0 8.3236 -6.1617 1.7775 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 28 1 0 0 0 0 2 4 2 0 0 0 0 2 29 1 0 0 0 0 3 5 1 0 0 0 0 3 30 1 0 0 0 0 4 18 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 21 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 19 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 6 0 0 0 25 27 1 6 0 0 0 25 44 1 1 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END > 240419 > K $$$$ 241509 1016 111283D 241509 47 47 1 1 V2000 10.7363 -4.3353 1.9539 O 0 0 0 0 0 0 0 0 0 8.3079 -4.3547 -1.7174 O 0 0 0 0 0 0 0 0 0 11.8139 -4.4785 0.0220 N 0 0 0 0 0 0 0 0 0 12.6502 -4.4940 0.5125 H 0 0 0 0 0 0 0 0 0 11.5369 -4.5806 -4.0650 H 0 0 0 0 0 0 0 0 0 10.6298 -4.6259 -3.5368 C 0 0 0 0 0 0 0 0 0 9.5026 -4.7693 -4.2475 C 0 0 0 0 0 0 0 0 0 8.5770 -4.8419 -3.7671 H 0 0 0 0 0 0 0 0 0 9.5625 -4.8297 -5.7479 C 0 0 0 0 0 0 0 0 0 10.6219 -4.6397 -6.2935 O 0 0 0 0 0 0 0 0 0 8.4923 -5.0869 -6.5451 N 0 0 0 0 0 0 0 0 0 8.6418 -5.0527 -7.5048 H 0 0 0 0 0 0 0 0 0 9.4014 -4.4024 -1.2090 C 0 0 0 0 0 0 0 0 0 10.6598 -4.5297 -2.0285 C 0 0 0 0 0 0 0 0 0 11.8171 -4.5532 -1.3427 C 0 0 0 0 0 0 0 0 0 10.6748 -4.3817 0.7509 C 0 0 0 0 0 0 0 0 0 9.4740 -4.3373 0.1386 N 0 0 0 0 0 0 0 0 0 13.1470 -4.6619 -2.0396 C 0 0 0 0 0 0 0 0 0 7.1720 -5.4150 -6.0712 C 0 0 1 0 0 0 0 0 0 6.0868 -4.8568 -6.9959 C 0 0 0 0 0 0 0 0 0 7.1300 -6.9415 -6.0427 C 0 0 0 0 0 0 0 0 0 6.2763 -5.3429 -8.3070 O 0 0 0 0 0 0 0 0 0 5.5976 -7.5790 -5.3075 S 0 0 0 0 0 0 0 0 0 5.2156 -8.6171 -6.2122 O 0 0 0 0 0 0 0 0 0 6.1339 -8.5129 -3.8455 C 0 0 0 0 0 0 0 0 0 6.5075 -7.5582 -2.7131 C 0 0 0 0 0 0 0 0 0 6.9110 -8.3274 -1.4542 C 0 0 0 0 0 0 0 0 0 7.2256 -7.3727 -0.3048 C 0 0 0 0 0 0 0 0 0 8.6669 -4.2586 0.6657 H 0 0 0 0 0 0 0 0 0 13.9383 -4.8020 -1.3183 H 0 0 0 0 0 0 0 0 0 13.1469 -5.5045 -2.7155 H 0 0 0 0 0 0 0 0 0 13.3386 -3.7542 -2.5936 H 0 0 0 0 0 0 0 0 0 6.9817 -5.0262 -5.0822 H 0 0 0 0 0 0 0 0 0 5.1139 -5.1541 -6.6280 H 0 0 0 0 0 0 0 0 0 6.1443 -3.7770 -6.9944 H 0 0 0 0 0 0 0 0 0 7.2156 -7.3156 -7.0528 H 0 0 0 0 0 0 0 0 0 7.9711 -7.3072 -5.4726 H 0 0 0 0 0 0 0 0 0 5.5508 -5.0564 -8.8541 H 0 0 0 0 0 0 0 0 0 5.3168 -9.1463 -3.5324 H 0 0 0 0 0 0 0 0 0 6.9777 -9.1343 -4.1093 H 0 0 0 0 0 0 0 0 0 7.3276 -6.9291 -3.0281 H 0 0 0 0 0 0 0 0 0 5.6527 -6.9352 -2.4912 H 0 0 0 0 0 0 0 0 0 6.1017 -8.9778 -1.1530 H 0 0 0 0 0 0 0 0 0 7.7844 -8.9294 -1.6620 H 0 0 0 0 0 0 0 0 0 8.0396 -6.7198 -0.5816 H 0 0 0 0 0 0 0 0 0 6.3540 -6.7786 -0.0699 H 0 0 0 0 0 0 0 0 0 7.5112 -7.9404 0.5688 H 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 15 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 14 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 19 1 0 0 0 0 11 12 1 0 0 0 0 13 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 1 0 0 0 19 20 1 6 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END > 241509 > K $$$$ 241906 1016 111283D 241906 50 52 0 1 V2000 9.3922 -13.3442 -3.8932 C 0 0 0 0 0 0 0 0 0 8.7221 -14.1074 -4.8388 C 0 0 0 0 0 0 0 0 0 8.8007 -12.2116 -3.3487 C 0 0 0 0 0 0 0 0 0 7.4476 -13.7339 -5.2391 C 0 0 0 0 0 0 0 0 0 7.5207 -11.8260 -3.7512 C 0 0 0 0 0 0 0 0 0 6.8529 -12.6029 -4.6956 C 0 0 0 0 0 0 0 0 0 5.5799 -10.1501 -3.8113 C 0 0 0 0 0 0 0 0 0 4.3903 -10.5439 -3.2072 C 0 0 0 0 0 0 0 0 0 5.5405 -9.3770 -4.9729 C 0 0 0 0 0 0 0 0 0 3.1671 -10.1602 -3.7429 C 0 0 0 0 0 0 0 0 0 4.3069 -8.9975 -5.4966 C 0 0 0 0 0 0 0 0 0 3.1217 -9.3759 -4.8874 C 0 0 0 0 0 0 0 0 0 1.9821 -8.9194 -5.4805 O 0 0 0 0 0 0 0 0 0 9.5468 -11.5400 -2.4304 O 0 0 0 0 0 0 0 0 0 6.8764 -10.5873 -3.1680 C 0 0 0 0 0 0 0 0 0 4.4535 -11.3082 -2.0846 O 0 0 0 0 0 0 0 0 0 6.6614 -8.9679 -5.6314 O 0 0 0 0 0 0 0 0 0 4.1544 -8.1572 -6.7324 C 0 0 0 0 0 0 0 0 0 3.3696 -8.4714 -7.5961 O 0 0 0 0 0 0 0 0 0 0.7361 -9.4621 -5.1091 C 0 0 0 0 0 0 0 0 0 4.9536 -6.9058 -6.9143 C 0 0 0 0 0 0 0 0 0 4.3740 -5.9048 -5.9109 C 0 0 0 0 0 0 0 0 0 4.6284 -6.3738 -4.5008 C 0 0 0 0 0 0 0 0 0 5.9328 -6.4500 -4.0277 C 0 0 0 0 0 0 0 0 0 6.1847 -6.8951 -2.7372 C 0 0 0 0 0 0 0 0 0 5.1310 -7.2660 -1.9125 C 0 0 0 0 0 0 0 0 0 3.8254 -7.1880 -2.3787 C 0 0 0 0 0 0 0 0 0 3.5748 -6.7407 -3.6695 C 0 0 0 0 0 0 0 0 0 10.3562 -13.6223 -3.5830 H 0 0 0 0 0 0 0 0 0 9.1768 -14.9618 -5.2481 H 0 0 0 0 0 0 0 0 0 6.9329 -14.3071 -5.9536 H 0 0 0 0 0 0 0 0 0 5.8863 -12.3442 -5.0124 H 0 0 0 0 0 0 0 0 0 2.2784 -10.4631 -3.2782 H 0 0 0 0 0 0 0 0 0 9.0501 -10.8651 -1.9878 H 0 0 0 0 0 0 0 0 0 6.6914 -10.7914 -2.1225 H 0 0 0 0 0 0 0 0 0 7.5768 -9.7661 -3.2054 H 0 0 0 0 0 0 0 0 0 3.5837 -11.5229 -1.7643 H 0 0 0 0 0 0 0 0 0 7.4528 -9.3655 -5.2869 H 0 0 0 0 0 0 0 0 0 0.0042 -9.1287 -5.8308 H 0 0 0 0 0 0 0 0 0 0.7606 -10.5425 -5.1187 H 0 0 0 0 0 0 0 0 0 0.4598 -9.0951 -4.1323 H 0 0 0 0 0 0 0 0 0 6.0061 -7.0755 -6.7428 H 0 0 0 0 0 0 0 0 0 4.8156 -6.5419 -7.9220 H 0 0 0 0 0 0 0 0 0 4.8216 -4.9337 -6.0581 H 0 0 0 0 0 0 0 0 0 3.3095 -5.8183 -6.0881 H 0 0 0 0 0 0 0 0 0 6.7332 -6.1719 -4.6483 H 0 0 0 0 0 0 0 0 0 7.1730 -6.9507 -2.3871 H 0 0 0 0 0 0 0 0 0 5.3218 -7.6045 -0.9368 H 0 0 0 0 0 0 0 0 0 3.0276 -7.4682 -1.7553 H 0 0 0 0 0 0 0 0 0 2.5835 -6.6851 -4.0159 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 29 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 14 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 31 1 0 0 0 0 5 15 1 0 0 0 0 5 6 1 0 0 0 0 6 32 1 0 0 0 0 7 15 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 8 16 1 0 0 0 0 8 10 1 0 0 0 0 9 17 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 33 1 0 0 0 0 11 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 20 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > 241906 > K $$$$ 243928 1016 111283D 243928 50 53 0 1 V2000 3.4870 -1.5240 -3.1636 N 0 0 0 0 0 0 0 0 0 3.2482 0.8711 -10.0665 C 0 0 0 0 0 0 0 0 0 1.9145 0.4772 -10.0665 C 0 0 0 0 0 0 0 0 0 1.2996 0.0134 -8.9059 C 0 0 0 0 0 0 0 0 0 3.9736 0.7939 -8.8851 C 0 0 0 0 0 0 0 0 0 2.0365 -0.0596 -7.7260 C 0 0 0 0 0 0 0 0 0 3.3712 0.3332 -7.7240 C 0 0 0 0 0 0 0 0 0 2.1148 -0.8715 -5.4549 C 0 0 0 0 0 0 0 0 0 1.8806 -0.1677 -4.2772 C 0 0 0 0 0 0 0 0 0 0.9623 0.8765 -4.2208 C 0 0 0 0 0 0 0 0 0 0.7483 1.5599 -3.0309 C 0 0 0 0 0 0 0 0 0 3.0315 -1.9228 -5.4666 C 0 0 0 0 0 0 0 0 0 3.2831 -2.6790 -6.6088 C 0 0 0 0 0 0 0 0 0 4.2175 -3.7065 -6.5861 C 0 0 0 0 0 0 0 0 0 1.4543 1.2054 -1.8890 C 0 0 0 0 0 0 0 0 0 2.5870 -0.5167 -3.1290 C 0 0 0 0 0 0 0 0 0 3.7182 -2.2289 -4.2933 C 0 0 0 0 0 0 0 0 0 4.9019 -3.9986 -5.4143 C 0 0 0 0 0 0 0 0 0 2.3744 0.1667 -1.9393 C 0 0 0 0 0 0 0 0 0 4.6479 -3.2599 -4.2666 C 0 0 0 0 0 0 0 0 0 -0.0083 -0.3860 -8.8455 O 0 0 0 0 0 0 0 0 0 -0.8220 -0.2407 -9.9940 C 0 0 0 0 0 0 0 0 0 1.4351 -0.5135 -6.5844 N 0 0 0 0 0 0 0 0 0 3.8693 1.3318 -11.1885 N 0 0 0 0 0 0 0 0 0 3.0938 1.4665 -12.6301 S 0 0 0 0 0 0 0 0 0 2.6274 0.1744 -13.0233 O 0 0 0 0 0 0 0 0 0 1.9839 2.3524 -12.4716 O 0 0 0 0 0 0 0 0 0 4.2177 2.1196 -13.8950 C 0 0 0 0 0 0 0 0 0 3.4890 2.2417 -15.2293 C 0 0 0 0 0 0 0 0 0 1.3670 0.5321 -10.9579 H 0 0 0 0 0 0 0 0 0 4.9824 1.0847 -8.8653 H 0 0 0 0 0 0 0 0 0 3.9343 0.2851 -6.8395 H 0 0 0 0 0 0 0 0 0 0.4233 1.1570 -5.0778 H 0 0 0 0 0 0 0 0 0 0.0516 2.3456 -2.9962 H 0 0 0 0 0 0 0 0 0 2.7685 -2.4816 -7.5022 H 0 0 0 0 0 0 0 0 0 4.4066 -4.2635 -7.4567 H 0 0 0 0 0 0 0 0 0 1.2923 1.7227 -0.9891 H 0 0 0 0 0 0 0 0 0 5.6088 -4.7757 -5.3964 H 0 0 0 0 0 0 0 0 0 2.9113 -0.1041 -1.0786 H 0 0 0 0 0 0 0 0 0 5.1590 -3.4800 -3.3761 H 0 0 0 0 0 0 0 0 0 -1.8313 -0.5311 -9.7408 H 0 0 0 0 0 0 0 0 0 -0.8366 0.7881 -10.3264 H 0 0 0 0 0 0 0 0 0 -0.4703 -0.8805 -10.7913 H 0 0 0 0 0 0 0 0 0 0.4653 -0.5822 -6.5758 H 0 0 0 0 0 0 0 0 0 4.8016 1.5927 -11.1477 H 0 0 0 0 0 0 0 0 0 4.5686 3.0908 -13.5796 H 0 0 0 0 0 0 0 0 0 5.0566 1.4475 -13.9965 H 0 0 0 0 0 0 0 0 0 4.1603 2.6420 -15.9749 H 0 0 0 0 0 0 0 0 0 3.1438 1.2678 -15.5450 H 0 0 0 0 0 0 0 0 0 2.6408 2.9020 -15.1206 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 2 0 0 0 0 2 24 1 0 0 0 0 2 3 2 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 21 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 5 31 1 0 0 0 0 6 23 1 0 0 0 0 6 7 1 0 0 0 0 7 32 1 0 0 0 0 8 23 1 0 0 0 0 8 12 2 0 0 0 0 8 9 1 0 0 0 0 9 16 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 12 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 0 0 0 0 15 19 2 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END > 243928 > K $$$$ 245432 1016 111283D 245432 56 56 1 1 V2000 8.5657 -3.4877 -9.4089 O 0 0 0 0 0 0 0 0 0 10.1764 -7.9239 -6.3610 Cl 0 0 0 0 0 0 0 0 0 7.9241 -2.2662 -9.7436 C 0 0 1 0 0 0 0 0 0 8.8115 -1.3777 -10.6250 C 0 0 1 0 0 0 0 0 0 10.0741 -1.0785 -9.8088 C 0 0 1 0 0 0 0 0 0 10.7745 -2.3989 -9.4738 C 0 0 1 0 0 0 0 0 0 9.8033 -3.3348 -8.7358 C 0 0 1 0 0 0 0 0 0 9.0893 -2.0734 -11.8289 O 0 0 0 0 0 0 0 0 0 9.7037 -1.3069 -12.7700 C 0 0 0 0 0 0 0 0 0 9.7699 -0.1056 -12.6613 O 0 0 0 0 0 0 0 0 0 10.3110 -1.9597 -13.9687 C 0 0 0 0 0 0 0 0 0 5.9700 -1.2840 -10.6050 O 0 0 0 0 0 0 0 0 0 4.9583 -1.2800 -11.5116 C 0 0 0 0 0 0 0 0 0 5.0625 -0.6055 -12.5067 O 0 0 0 0 0 0 0 0 0 3.7185 -2.0927 -11.2996 C 0 0 0 0 0 0 0 0 0 10.9406 -0.2138 -10.5211 O 0 0 0 0 0 0 0 0 0 11.8646 0.4086 -9.7442 C 0 0 0 0 0 0 0 0 0 11.9512 0.1558 -8.5655 O 0 0 0 0 0 0 0 0 0 12.7819 1.4155 -10.3580 C 0 0 0 0 0 0 0 0 0 6.6146 -2.5370 -10.4754 C 0 0 0 0 0 0 0 0 0 11.2276 -2.9845 -10.6838 O 0 0 0 0 0 0 0 0 0 12.3110 -3.7902 -10.5372 C 0 0 0 0 0 0 0 0 0 12.7073 -4.1002 -9.4391 O 0 0 0 0 0 0 0 0 0 13.0174 -4.2970 -11.7529 C 0 0 0 0 0 0 0 0 0 9.4998 -2.8943 -7.4028 N 0 0 0 0 0 0 0 0 0 9.1190 -3.6617 -6.3450 C 0 0 0 0 0 0 0 0 0 9.0582 -3.0477 -5.3076 O 0 0 0 0 0 0 0 0 0 8.8039 -4.9901 -6.2854 N 0 0 0 0 0 0 0 0 0 8.6631 -5.4500 -5.1237 N 0 0 0 0 0 0 0 0 0 8.2519 -6.6110 -4.9078 O 0 0 0 0 0 0 0 0 0 8.6211 -5.8812 -7.4037 C 0 0 0 0 0 0 0 0 0 9.8650 -6.7323 -7.6749 C 0 0 0 0 0 0 0 0 0 7.6662 -1.7329 -8.8393 H 0 0 0 0 0 0 0 0 0 8.2917 -0.4508 -10.8308 H 0 0 0 0 0 0 0 0 0 9.7566 -0.5865 -8.8997 H 0 0 0 0 0 0 0 0 0 11.6048 -2.1716 -8.8185 H 0 0 0 0 0 0 0 0 0 10.3130 -4.2833 -8.7030 H 0 0 0 0 0 0 0 0 0 9.9201 -1.4981 -14.8626 H 0 0 0 0 0 0 0 0 0 11.3821 -1.8301 -13.9329 H 0 0 0 0 0 0 0 0 0 10.0721 -3.0121 -13.9641 H 0 0 0 0 0 0 0 0 0 2.8626 -1.5285 -11.6378 H 0 0 0 0 0 0 0 0 0 3.7915 -3.0105 -11.8631 H 0 0 0 0 0 0 0 0 0 3.6101 -2.3171 -10.2493 H 0 0 0 0 0 0 0 0 0 12.4822 1.5916 -11.3803 H 0 0 0 0 0 0 0 0 0 12.7261 2.3371 -9.7986 H 0 0 0 0 0 0 0 0 0 13.7922 1.0363 -10.3351 H 0 0 0 0 0 0 0 0 0 6.8381 -2.9858 -11.4347 H 0 0 0 0 0 0 0 0 0 6.0169 -3.2194 -9.8882 H 0 0 0 0 0 0 0 0 0 12.5704 -3.8591 -12.6325 H 0 0 0 0 0 0 0 0 0 14.0600 -4.0216 -11.7013 H 0 0 0 0 0 0 0 0 0 12.9266 -5.3716 -11.7949 H 0 0 0 0 0 0 0 0 0 9.5687 -1.9487 -7.2068 H 0 0 0 0 0 0 0 0 0 7.8047 -6.5552 -7.1859 H 0 0 0 0 0 0 0 0 0 8.3388 -5.3437 -8.2930 H 0 0 0 0 0 0 0 0 0 10.7410 -6.1095 -7.7703 H 0 0 0 0 0 0 0 0 0 9.7225 -7.2806 -8.5945 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 1 0 0 0 3 20 1 0 0 0 0 3 33 1 6 0 0 0 4 8 1 1 0 0 0 4 5 1 6 0 0 0 4 34 1 0 0 0 0 5 16 1 1 0 0 0 5 6 1 0 0 0 0 5 35 1 6 0 0 0 6 21 1 1 0 0 0 6 7 1 6 0 0 0 6 36 1 0 0 0 0 7 25 1 6 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 M END > 245432 > K $$$$ 249992 1016 111283D 249992 47 50 0 1 V2000 10.8135 -7.6151 -5.8424 N 0 0 0 0 0 0 0 0 0 8.3078 -0.9361 -4.2772 C 0 0 0 0 0 0 0 0 0 8.4562 -2.2587 -3.8824 C 0 0 0 0 0 0 0 0 0 8.8101 -0.5402 -5.5117 C 0 0 0 0 0 0 0 0 0 9.0756 -3.1728 -4.7215 C 0 0 0 0 0 0 0 0 0 9.4386 -1.4481 -6.3599 C 0 0 0 0 0 0 0 0 0 9.5615 -2.7780 -5.9640 C 0 0 0 0 0 0 0 0 0 10.4103 -4.9741 -6.4836 C 0 0 0 0 0 0 0 0 0 11.3571 -5.3188 -5.5203 C 0 0 0 0 0 0 0 0 0 12.1265 -4.3640 -4.8609 C 0 0 0 0 0 0 0 0 0 13.0556 -4.7471 -3.9014 C 0 0 0 0 0 0 0 0 0 9.6934 -5.9681 -7.1413 C 0 0 0 0 0 0 0 0 0 8.7621 -5.6569 -8.1271 C 0 0 0 0 0 0 0 0 0 8.0587 -6.6665 -8.7694 C 0 0 0 0 0 0 0 0 0 13.2257 -6.0903 -3.5945 C 0 0 0 0 0 0 0 0 0 11.5390 -6.6652 -5.2106 C 0 0 0 0 0 0 0 0 0 9.9131 -7.2998 -6.8003 C 0 0 0 0 0 0 0 0 0 8.2809 -7.9935 -8.4263 C 0 0 0 0 0 0 0 0 0 12.4659 -7.0492 -4.2508 C 0 0 0 0 0 0 0 0 0 9.2079 -8.3094 -7.4413 C 0 0 0 0 0 0 0 0 0 7.6730 -0.0651 -3.4434 N 0 0 0 0 0 0 0 0 0 10.1555 -3.6735 -6.8097 N 0 0 0 0 0 0 0 0 0 7.3038 1.4696 -3.8991 S 0 0 0 0 0 0 0 0 0 8.5163 2.1962 -4.1072 O 0 0 0 0 0 0 0 0 0 6.5591 1.4161 -5.1173 O 0 0 0 0 0 0 0 0 0 9.9534 -1.1125 -7.5831 O 0 0 0 0 0 0 0 0 0 9.9533 0.2472 -7.9751 C 0 0 0 0 0 0 0 0 0 6.3093 2.2946 -2.6296 C 0 0 0 0 0 0 0 0 0 8.0984 -2.5732 -2.9471 H 0 0 0 0 0 0 0 0 0 8.7118 0.4603 -5.8050 H 0 0 0 0 0 0 0 0 0 9.1725 -4.1698 -4.4074 H 0 0 0 0 0 0 0 0 0 12.0119 -3.3438 -5.0834 H 0 0 0 0 0 0 0 0 0 13.6308 -4.0202 -3.4070 H 0 0 0 0 0 0 0 0 0 8.5837 -4.6560 -8.3929 H 0 0 0 0 0 0 0 0 0 7.3590 -6.4235 -9.5143 H 0 0 0 0 0 0 0 0 0 13.9273 -6.3809 -2.8680 H 0 0 0 0 0 0 0 0 0 7.7477 -8.7569 -8.9122 H 0 0 0 0 0 0 0 0 0 12.5910 -8.0668 -4.0231 H 0 0 0 0 0 0 0 0 0 9.3776 -9.3118 -7.1791 H 0 0 0 0 0 0 0 0 0 7.4245 -0.3490 -2.5510 H 0 0 0 0 0 0 0 0 0 10.4044 -3.3697 -7.6998 H 0 0 0 0 0 0 0 0 0 8.9402 0.6062 -8.0895 H 0 0 0 0 0 0 0 0 0 10.4803 0.8573 -7.2546 H 0 0 0 0 0 0 0 0 0 10.4571 0.3330 -8.9266 H 0 0 0 0 0 0 0 0 0 5.4064 1.7266 -2.4634 H 0 0 0 0 0 0 0 0 0 6.8785 2.3573 -1.7146 H 0 0 0 0 0 0 0 0 0 6.0574 3.2871 -2.9716 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 2 0 0 0 0 2 21 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 3 5 1 0 0 0 0 3 29 1 0 0 0 0 4 6 2 0 0 0 0 4 30 1 0 0 0 0 5 7 2 0 0 0 0 5 31 1 0 0 0 0 6 26 1 0 0 0 0 6 7 1 0 0 0 0 7 22 1 0 0 0 0 8 22 1 0 0 0 0 8 12 2 0 0 0 0 8 9 1 0 0 0 0 9 16 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 19 2 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 28 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END > 249992 > K $$$$ 253272 1016 111283D 253272 24 23 0 1 V2000 1.4901 2.3462 1.1080 N 0 0 0 0 0 0 0 0 0 0.9299 1.8774 -0.1124 O 0 0 0 0 0 0 0 0 0 2.3204 1.5421 1.8252 C 0 0 0 0 0 0 0 0 0 2.8338 1.9165 2.8516 O 0 0 0 0 0 0 0 0 0 1.6461 2.1858 -1.2303 C 0 0 0 0 0 0 0 0 0 1.1921 1.8864 -2.3080 O 0 0 0 0 0 0 0 0 0 1.1910 3.5965 1.5537 C 0 0 0 0 0 0 0 0 0 1.6920 4.0369 2.5600 O 0 0 0 0 0 0 0 0 0 0.2282 4.4669 0.8060 C 0 0 0 0 0 0 0 0 0 2.5848 0.2870 1.3826 N 0 0 0 0 0 0 0 0 0 2.8487 2.8159 -1.1804 N 0 0 0 0 0 0 0 0 0 3.4642 -0.5829 2.1118 C 0 0 0 0 0 0 0 0 0 3.5579 3.1369 -2.3868 C 0 0 0 0 0 0 0 0 0 -0.6239 4.6676 1.4379 H 0 0 0 0 0 0 0 0 0 0.7142 5.3977 0.5548 H 0 0 0 0 0 0 0 0 0 -0.1059 3.9804 -0.0973 H 0 0 0 0 0 0 0 0 0 2.1696 -0.0209 0.5624 H 0 0 0 0 0 0 0 0 0 3.2337 3.0512 -0.3231 H 0 0 0 0 0 0 0 0 0 4.4349 -0.1207 2.2227 H 0 0 0 0 0 0 0 0 0 3.0540 -0.7773 3.0927 H 0 0 0 0 0 0 0 0 0 3.5808 -1.5218 1.5891 H 0 0 0 0 0 0 0 0 0 3.7742 2.2322 -2.9378 H 0 0 0 0 0 0 0 0 0 2.9579 3.7905 -3.0045 H 0 0 0 0 0 0 0 0 0 4.4879 3.6341 -2.1500 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M END > 253272 > K $$$$ 258812 1016 111283D 258812 73 77 1 1 V2000 -19.7246 -14.4979 -12.2624 O 0 0 0 0 0 0 0 0 0 -17.2522 -9.8640 -11.7121 O 0 0 0 0 0 0 0 0 0 -19.9134 -14.7332 -19.4421 O 0 0 0 0 0 0 0 0 0 -19.6945 -13.9349 -17.3017 O 0 0 0 0 0 0 0 0 0 -17.7792 -10.9361 -11.8868 C 0 0 0 0 0 0 0 0 0 -18.2840 -11.6503 -10.6682 C 0 0 0 0 0 0 0 0 0 -18.1029 -11.0953 -9.4072 C 0 0 0 0 0 0 0 0 0 -18.5680 -11.7632 -8.2829 C 0 0 0 0 0 0 0 0 0 -17.9282 -11.5410 -13.2649 C 0 0 0 0 0 0 0 0 0 -17.4348 -10.8916 -14.3984 C 0 0 0 0 0 0 0 0 0 -17.5721 -11.4775 -15.6500 C 0 0 0 0 0 0 0 0 0 -17.0019 -10.7616 -16.8497 C 0 0 0 0 0 0 0 0 0 -16.8967 -11.6322 -18.1093 C 0 0 1 0 0 0 0 0 0 -19.2169 -12.9836 -8.4203 C 0 0 0 0 0 0 0 0 0 -18.9331 -12.8695 -10.8015 C 0 0 0 0 0 0 0 0 0 -18.5713 -12.7733 -13.3987 C 0 0 0 0 0 0 0 0 0 -18.2253 -12.6976 -15.7829 C 0 0 0 0 0 0 0 0 0 -18.2297 -12.3522 -18.2895 C 0 0 0 0 0 0 0 0 0 -19.4064 -13.5436 -9.6812 C 0 0 0 0 0 0 0 0 0 -19.1205 -13.4580 -12.1692 C 0 0 0 0 0 0 0 0 0 -18.7019 -13.3585 -14.6599 C 0 0 0 0 0 0 0 0 0 -18.4257 -13.3370 -17.1335 C 0 0 2 0 0 0 0 0 0 -19.6462 -15.1002 -18.1042 C 0 0 1 0 0 0 0 0 0 -20.6086 -16.1245 -17.5174 C 0 0 0 0 0 0 0 0 0 -22.0578 -15.6614 -17.6641 C 0 0 1 0 0 0 0 0 0 -21.2613 -14.3997 -19.7196 C 0 0 1 0 0 0 0 0 0 -22.2710 -15.4205 -19.1675 C 0 0 1 0 0 0 0 0 0 -20.0424 -14.7308 -9.8979 O 0 0 0 0 0 0 0 0 0 -19.9951 -15.7415 -8.9116 C 0 0 0 0 0 0 0 0 0 -22.1432 -16.6588 -19.8401 O 0 0 0 0 0 0 0 0 0 -19.2723 -14.5664 -14.9257 O 0 0 0 0 0 0 0 0 0 -16.8012 -9.6858 -14.4144 O 0 0 0 0 0 0 0 0 0 -21.5646 -12.9605 -19.3012 C 0 0 0 0 0 0 0 0 0 -22.9833 -16.6425 -17.0734 N 0 0 0 0 0 0 0 0 0 -22.7689 -16.9316 -15.6543 C 0 0 0 0 0 0 0 0 0 -24.3973 -16.4382 -17.3812 C 0 0 0 0 0 0 0 0 0 -16.6879 -10.8062 -19.2373 O 0 0 0 0 0 0 0 0 0 -15.8346 -12.7013 -18.0037 C 0 0 0 0 0 0 0 0 0 -15.2408 -12.8711 -16.9651 O 0 0 0 0 0 0 0 0 0 -15.5185 -13.5699 -19.1832 C 0 0 0 0 0 0 0 0 0 -17.6142 -10.1704 -9.3017 H 0 0 0 0 0 0 0 0 0 -18.4291 -11.3459 -7.3283 H 0 0 0 0 0 0 0 0 0 -17.6514 -9.9262 -17.0699 H 0 0 0 0 0 0 0 0 0 -16.0236 -10.3686 -16.6109 H 0 0 0 0 0 0 0 0 0 -19.5635 -13.4760 -7.5615 H 0 0 0 0 0 0 0 0 0 -19.0366 -11.6341 -18.3026 H 0 0 0 0 0 0 0 0 0 -18.2361 -12.8845 -19.2291 H 0 0 0 0 0 0 0 0 0 -17.6571 -14.0969 -17.1561 H 0 0 0 0 0 0 0 0 0 -18.6771 -15.5816 -18.0955 H 0 0 0 0 0 0 0 0 0 -20.4816 -17.0695 -18.0246 H 0 0 0 0 0 0 0 0 0 -20.3473 -16.2376 -16.4769 H 0 0 0 0 0 0 0 0 0 -22.1745 -14.7226 -17.1401 H 0 0 0 0 0 0 0 0 0 -21.3612 -14.4211 -20.7951 H 0 0 0 0 0 0 0 0 0 -23.2651 -15.0308 -19.3310 H 0 0 0 0 0 0 0 0 0 -18.9726 -16.0095 -8.6844 H 0 0 0 0 0 0 0 0 0 -20.5066 -15.4232 -8.0164 H 0 0 0 0 0 0 0 0 0 -20.4977 -16.6156 -9.3029 H 0 0 0 0 0 0 0 0 0 -22.2774 -16.5375 -20.7733 H 0 0 0 0 0 0 0 0 0 -19.5356 -15.0526 -14.1596 H 0 0 0 0 0 0 0 0 0 -16.7261 -9.2782 -13.5631 H 0 0 0 0 0 0 0 0 0 -20.8610 -12.2986 -19.7839 H 0 0 0 0 0 0 0 0 0 -22.5647 -12.6940 -19.6105 H 0 0 0 0 0 0 0 0 0 -21.4811 -12.8421 -18.2320 H 0 0 0 0 0 0 0 0 0 -23.5304 -17.5983 -15.2756 H 0 0 0 0 0 0 0 0 0 -21.8202 -17.4269 -15.5103 H 0 0 0 0 0 0 0 0 0 -22.7837 -16.0186 -15.0759 H 0 0 0 0 0 0 0 0 0 -25.0100 -17.1715 -16.8765 H 0 0 0 0 0 0 0 0 0 -24.7096 -15.4495 -17.0766 H 0 0 0 0 0 0 0 0 0 -24.5650 -16.5588 -18.4413 H 0 0 0 0 0 0 0 0 0 -15.9121 -10.2688 -19.1023 H 0 0 0 0 0 0 0 0 0 -14.5558 -14.0377 -19.0437 H 0 0 0 0 0 0 0 0 0 -16.2766 -14.3353 -19.2630 H 0 0 0 0 0 0 0 0 0 -15.5098 -12.9801 -20.0877 H 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 5 2 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 15 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 14 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 32 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 37 1 6 0 0 0 13 38 1 1 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 14 45 1 0 0 0 0 15 20 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 28 1 0 0 0 0 21 31 1 0 0 0 0 22 48 1 1 0 0 0 23 24 1 1 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 34 1 1 0 0 0 25 27 1 6 0 0 0 25 52 1 0 0 0 0 26 27 1 1 0 0 0 26 33 1 6 0 0 0 26 53 1 0 0 0 0 27 30 1 1 0 0 0 27 54 1 6 0 0 0 28 29 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 M END > 258812 > K $$$$ 260610 1016 111283D 260610 74 79 0 1 V2000 -9.1753 -13.9087 -13.0483 N 0 0 0 0 0 0 0 0 0 1.5121 -18.8230 -7.4908 N 0 0 0 0 0 0 0 0 0 -9.0225 -11.5569 -13.2093 C 0 0 0 0 0 0 0 0 0 -8.6429 -10.3371 -12.6655 C 0 0 0 0 0 0 0 0 0 -8.8051 -12.7314 -12.5017 C 0 0 0 0 0 0 0 0 0 -8.0400 -10.2968 -11.4161 C 0 0 0 0 0 0 0 0 0 -8.2112 -12.7009 -11.2427 C 0 0 0 0 0 0 0 0 0 -7.8217 -11.4732 -10.7123 C 0 0 0 0 0 0 0 0 0 -8.0204 -13.8954 -10.5507 C 0 0 0 0 0 0 0 0 0 -8.4498 -15.0987 -11.1156 C 0 0 0 0 0 0 0 0 0 -9.4398 -16.2450 -13.0084 C 0 0 0 0 0 0 0 0 0 -9.0191 -15.0763 -12.3879 C 0 0 0 0 0 0 0 0 0 -9.3139 -17.4712 -12.3640 C 0 0 0 0 0 0 0 0 0 -8.7648 -17.4965 -11.0895 C 0 0 0 0 0 0 0 0 0 -8.3433 -16.3270 -10.4680 C 0 0 0 0 0 0 0 0 0 0.8484 -16.1712 -7.8065 C 0 0 0 0 0 0 0 0 0 1.2353 -16.6548 -6.5575 C 0 0 0 0 0 0 0 0 0 1.2922 -15.8346 -5.4329 C 0 0 0 0 0 0 0 0 0 1.6953 -16.3419 -4.2051 C 0 0 0 0 0 0 0 0 0 0.8395 -17.0307 -8.9087 C 0 0 0 0 0 0 0 0 0 0.5263 -16.6170 -10.2017 C 0 0 0 0 0 0 0 0 0 0.4961 -17.5210 -11.2573 C 0 0 0 0 0 0 0 0 0 2.0384 -17.6814 -4.0857 C 0 0 0 0 0 0 0 0 0 1.5730 -17.9991 -6.4240 C 0 0 0 0 0 0 0 0 0 1.1642 -18.3722 -8.7147 C 0 0 0 0 0 0 0 0 0 0.7999 -18.8629 -11.0495 C 0 0 0 0 0 0 0 0 0 1.9743 -18.5105 -5.1973 C 0 0 0 0 0 0 0 0 0 1.1390 -19.2745 -9.7692 C 0 0 0 0 0 0 0 0 0 -7.4105 -13.8191 -9.3297 N 0 0 0 0 0 0 0 0 0 0.4916 -14.8528 -7.8844 N 0 0 0 0 0 0 0 0 0 -6.2596 -14.5983 -8.9639 C 0 0 0 0 0 0 0 0 0 -5.1967 -13.5818 -8.5548 C 0 0 0 0 0 0 0 0 0 -3.8496 -14.2175 -8.2212 C 0 0 0 0 0 0 0 0 0 -2.8475 -13.1144 -7.8722 C 0 0 0 0 0 0 0 0 0 -1.5053 -13.6662 -7.3961 C 0 0 0 0 0 0 0 0 0 -0.7293 -14.3975 -8.4895 C 0 0 0 0 0 0 0 0 0 0.7957 -19.8313 -12.0122 O 0 0 0 0 0 0 0 0 0 0.4018 -19.4896 -13.3267 C 0 0 0 0 0 0 0 0 0 -9.6957 -18.6720 -12.8909 O 0 0 0 0 0 0 0 0 0 -10.0232 -18.7325 -14.2666 C 0 0 0 0 0 0 0 0 0 -9.4749 -11.5941 -14.1559 H 0 0 0 0 0 0 0 0 0 -8.8105 -9.4472 -13.1973 H 0 0 0 0 0 0 0 0 0 -7.7480 -9.3769 -11.0010 H 0 0 0 0 0 0 0 0 0 -7.3572 -11.4188 -9.7726 H 0 0 0 0 0 0 0 0 0 -9.8547 -16.1884 -13.9696 H 0 0 0 0 0 0 0 0 0 -8.6696 -18.4174 -10.5939 H 0 0 0 0 0 0 0 0 0 -7.9445 -16.3900 -9.5006 H 0 0 0 0 0 0 0 0 0 1.0316 -14.8198 -5.4948 H 0 0 0 0 0 0 0 0 0 1.7400 -15.7099 -3.3672 H 0 0 0 0 0 0 0 0 0 0.3082 -15.6118 -10.4030 H 0 0 0 0 0 0 0 0 0 0.2410 -17.1784 -12.2156 H 0 0 0 0 0 0 0 0 0 2.3448 -18.0656 -3.1576 H 0 0 0 0 0 0 0 0 0 2.2292 -19.5255 -5.1138 H 0 0 0 0 0 0 0 0 0 1.3788 -20.2822 -9.6003 H 0 0 0 0 0 0 0 0 0 -7.7654 -13.1953 -8.6747 H 0 0 0 0 0 0 0 0 0 1.0853 -14.1858 -7.5014 H 0 0 0 0 0 0 0 0 0 -6.4880 -15.2504 -8.1322 H 0 0 0 0 0 0 0 0 0 -5.8966 -15.1844 -9.7977 H 0 0 0 0 0 0 0 0 0 -5.0613 -12.8860 -9.3707 H 0 0 0 0 0 0 0 0 0 -5.5530 -13.0389 -7.6905 H 0 0 0 0 0 0 0 0 0 -3.9651 -14.8854 -7.3790 H 0 0 0 0 0 0 0 0 0 -3.4995 -14.7788 -9.0756 H 0 0 0 0 0 0 0 0 0 -2.6909 -12.4759 -8.7307 H 0 0 0 0 0 0 0 0 0 -3.2582 -12.5155 -7.0715 H 0 0 0 0 0 0 0 0 0 -0.9027 -12.8392 -7.0486 H 0 0 0 0 0 0 0 0 0 -1.6696 -14.3402 -6.5671 H 0 0 0 0 0 0 0 0 0 -0.5186 -13.7206 -9.3062 H 0 0 0 0 0 0 0 0 0 -1.3201 -15.2277 -8.8501 H 0 0 0 0 0 0 0 0 0 0.4334 -20.3821 -13.9350 H 0 0 0 0 0 0 0 0 0 -0.6083 -19.1051 -13.3381 H 0 0 0 0 0 0 0 0 0 1.0800 -18.7629 -13.7503 H 0 0 0 0 0 0 0 0 0 -10.1992 -19.7643 -14.5348 H 0 0 0 0 0 0 0 0 0 -10.9224 -18.1693 -14.4702 H 0 0 0 0 0 0 0 0 0 -9.2096 -18.3595 -14.8733 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 2 0 0 0 0 2 24 1 0 0 0 0 2 25 2 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 6 1 0 0 0 0 4 42 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 44 1 0 0 0 0 9 29 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 13 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 16 30 1 0 0 0 0 16 20 2 0 0 0 0 16 17 1 0 0 0 0 17 24 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 23 1 0 0 0 0 19 49 1 0 0 0 0 20 25 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 26 1 0 0 0 0 22 51 1 0 0 0 0 23 27 2 0 0 0 0 23 52 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 37 1 0 0 0 0 26 28 2 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 36 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 M END > 260610 > K $$$$ 261726 1016 111283D 261726 17 18 0 1 V2000 -1.3004 5.3447 0.0358 O 0 0 0 0 0 0 0 0 0 -0.0073 -0.0006 0.0814 H 0 0 0 0 0 0 0 0 0 0.0033 0.9695 0.0631 N 0 0 0 0 0 0 0 0 0 0.7447 3.0638 -0.0202 N 0 0 0 0 0 0 0 0 0 -2.5295 1.4954 0.1978 C 0 0 0 0 0 0 0 0 0 -3.3729 2.5421 0.2266 C 0 0 0 0 0 0 0 0 0 -1.0631 1.7797 0.1073 C 0 0 0 0 0 0 0 0 0 -0.6016 3.0737 0.0538 C 0 0 0 0 0 0 0 0 0 -1.6129 4.1792 0.0856 C 0 0 0 0 0 0 0 0 0 1.0977 1.7576 -0.0120 C 0 0 0 0 0 0 0 0 0 -4.7835 2.3186 0.3165 N 0 0 0 0 0 0 0 0 0 -2.9315 3.8379 0.1743 N 0 0 0 0 0 0 0 0 0 -2.8844 0.5087 0.2369 H 0 0 0 0 0 0 0 0 0 2.0898 1.4102 -0.0578 H 0 0 0 0 0 0 0 0 0 -5.3011 3.0855 -0.0625 H 0 0 0 0 0 0 0 0 0 -5.0657 1.4662 -0.1249 H 0 0 0 0 0 0 0 0 0 -3.5772 4.5604 0.2006 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 3 7 1 0 0 0 0 4 10 2 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 M END > 261726 > K $$$$ 262665 1016 111283D 262665 48 51 0 1 V2000 -7.9107 -0.4328 2.9154 O 0 0 0 0 0 0 0 0 0 -6.8541 -1.2879 2.9081 C 0 0 0 0 0 0 0 0 0 -6.0170 -1.3575 4.0136 C 0 0 0 0 0 0 0 0 0 -6.6239 -2.0890 1.7932 C 0 0 0 0 0 0 0 0 0 -4.1180 -2.3012 5.0876 O 0 0 0 0 0 0 0 0 0 -5.5598 -2.9563 1.7743 C 0 0 0 0 0 0 0 0 0 -4.9396 -2.2289 4.0066 C 0 0 0 0 0 0 0 0 0 -4.7058 -3.0328 2.8805 C 0 0 0 0 0 0 0 0 0 -2.8273 -4.1168 1.7154 C 0 0 0 0 0 0 0 0 0 -2.9358 -3.4363 0.5277 N 0 0 0 0 0 0 0 0 0 -1.7070 -5.0551 1.4721 C 0 0 0 0 0 0 0 0 0 -1.4852 -6.1239 2.0087 O 0 0 0 0 0 0 0 0 0 -1.8603 -3.6344 -0.1637 C 0 0 0 0 0 0 0 0 0 -0.9883 -4.4329 0.5011 O 0 0 0 0 0 0 0 0 0 -8.1598 0.3996 4.0737 C 0 0 0 0 0 0 0 0 0 -2.0957 -1.4697 4.0650 C 0 0 0 0 0 0 0 0 0 -1.0254 -2.3457 4.1225 C 0 0 0 0 0 0 0 0 0 -0.1662 -2.4594 3.0424 C 0 0 0 0 0 0 0 0 0 -0.3781 -1.6973 1.9057 C 0 0 0 0 0 0 0 0 0 -1.4495 -0.8214 1.8491 C 0 0 0 0 0 0 0 0 0 -2.3081 -0.7070 2.9293 C 0 0 0 0 0 0 0 0 0 -3.0346 -1.3527 5.2370 C 0 0 0 0 0 0 0 0 0 -3.5670 -3.9635 2.8606 C 0 0 0 0 0 0 0 0 0 -1.6024 -3.0680 -1.5124 C 0 0 0 0 0 0 0 0 0 -2.5490 -2.2436 -2.1206 C 0 0 0 0 0 0 0 0 0 -2.2980 -1.7215 -3.3771 C 0 0 0 0 0 0 0 0 0 -1.1110 -2.0179 -4.0280 C 0 0 0 0 0 0 0 0 0 -0.1685 -2.8372 -3.4267 C 0 0 0 0 0 0 0 0 0 -0.4067 -3.3608 -2.1687 C 0 0 0 0 0 0 0 0 0 -6.2048 -0.7369 4.8728 H 0 0 0 0 0 0 0 0 0 -7.2797 -2.0319 0.9430 H 0 0 0 0 0 0 0 0 0 -5.3889 -3.5722 0.9085 H 0 0 0 0 0 0 0 0 0 -9.0429 1.0140 3.8976 H 0 0 0 0 0 0 0 0 0 -8.3263 -0.2302 4.9478 H 0 0 0 0 0 0 0 0 0 -7.2998 1.0455 4.2517 H 0 0 0 0 0 0 0 0 0 -0.8610 -2.9378 5.0055 H 0 0 0 0 0 0 0 0 0 0.6661 -3.1395 3.0864 H 0 0 0 0 0 0 0 0 0 0.2899 -1.7851 1.0670 H 0 0 0 0 0 0 0 0 0 -1.6139 -0.2291 0.9662 H 0 0 0 0 0 0 0 0 0 -3.1399 -0.0262 2.8855 H 0 0 0 0 0 0 0 0 0 -3.4398 -0.3406 5.2761 H 0 0 0 0 0 0 0 0 0 -2.4912 -1.5595 6.1588 H 0 0 0 0 0 0 0 0 0 -3.3212 -4.5216 3.7498 H 0 0 0 0 0 0 0 0 0 -3.4720 -2.0121 -1.6173 H 0 0 0 0 0 0 0 0 0 -3.0253 -1.0852 -3.8495 H 0 0 0 0 0 0 0 0 0 -0.9200 -1.6097 -5.0049 H 0 0 0 0 0 0 0 0 0 0.7505 -3.0639 -3.9377 H 0 0 0 0 0 0 0 0 0 0.3291 -3.9931 -1.7020 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 7 2 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 6 8 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 2 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 22 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 M END > 262665 > K $$$$ 264880 1016 111283D 264880 31 32 1 1 V2000 4.6424 0.9488 -1.1946 O 0 0 0 0 0 0 0 0 0 2.1014 0.7961 -0.6721 O 0 0 0 0 0 0 0 0 0 3.7045 -0.8136 -0.1959 N 0 0 0 0 0 0 0 0 0 4.8474 -2.8952 -0.5639 N 0 0 0 0 0 0 0 0 0 5.6847 -2.3192 -1.2920 C 0 0 0 0 0 0 0 0 0 3.7630 -2.2204 0.0909 C 0 0 0 0 0 0 0 0 0 2.6449 -0.0121 0.3467 C 0 0 1 0 0 0 0 0 0 3.1357 0.9642 1.4094 C 0 0 1 0 0 0 0 0 0 2.0285 2.0150 1.3848 C 0 0 1 0 0 0 0 0 0 1.4283 1.8510 -0.0148 C 0 0 1 0 0 0 0 0 0 4.6511 -0.2387 -0.9784 C 0 0 0 0 0 0 0 0 0 0.8089 4.1493 -0.1475 O 0 0 0 0 0 0 0 0 0 1.0495 1.7699 2.3738 O 0 0 0 0 0 0 0 0 0 1.5133 3.1350 -0.8329 C 0 0 0 0 0 0 0 0 0 5.6251 -0.9914 -1.5295 N 0 0 0 0 0 0 0 0 0 3.3449 0.3222 2.6531 O 0 0 0 0 0 0 0 0 0 6.6730 -3.0471 -1.8534 N 0 0 0 0 0 0 0 0 0 3.8727 -2.3587 1.1578 H 0 0 0 0 0 0 0 0 0 2.8402 -2.6893 -0.2223 H 0 0 0 0 0 0 0 0 0 1.8641 -0.6266 0.7779 H 0 0 0 0 0 0 0 0 0 4.0515 1.4188 1.0594 H 0 0 0 0 0 0 0 0 0 2.4668 2.9931 1.5329 H 0 0 0 0 0 0 0 0 0 0.3854 1.5889 0.0929 H 0 0 0 0 0 0 0 0 0 0.7845 4.9316 -0.6911 H 0 0 0 0 0 0 0 0 0 0.4305 2.4956 2.3755 H 0 0 0 0 0 0 0 0 0 2.5510 3.4116 -0.9583 H 0 0 0 0 0 0 0 0 0 1.0775 2.9541 -1.8055 H 0 0 0 0 0 0 0 0 0 6.2802 -0.5657 -2.0978 H 0 0 0 0 0 0 0 0 0 3.4056 0.9828 3.3357 H 0 0 0 0 0 0 0 0 0 6.7223 -4.0001 -1.6832 H 0 0 0 0 0 0 0 0 0 7.3312 -2.6232 -2.4236 H 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 7 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 6 0 0 0 7 20 1 1 0 0 0 8 16 1 0 0 0 0 8 9 1 1 0 0 0 8 21 1 6 0 0 0 9 13 1 1 0 0 0 9 10 1 0 0 0 0 9 22 1 6 0 0 0 10 14 1 6 0 0 0 10 23 1 1 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 M END > 264880 > K $$$$ 265211 1016 111283D 265211 115121 1 1 V2000 23.4986 -15.2541 13.8124 O 0 0 0 0 0 0 0 0 0 22.9414 -14.2048 11.9224 O 0 0 0 0 0 0 0 0 0 21.9933 -12.3353 8.9588 O 0 0 0 0 0 0 0 0 0 20.0647 -11.9080 7.8323 O 0 0 0 0 0 0 0 0 0 19.6300 -11.2062 4.9778 O 0 0 0 0 0 0 0 0 0 17.5574 -10.4161 4.5193 O 0 0 0 0 0 0 0 0 0 17.3832 -8.5491 3.6424 H 0 0 0 0 0 0 0 0 0 13.0987 -7.6890 6.1082 O 0 0 0 0 0 0 0 0 0 10.9505 -10.9464 2.5568 O 0 0 0 0 0 0 0 0 0 11.4015 -10.1992 3.3908 C 0 0 0 0 0 0 0 0 0 10.5129 -9.4898 4.3796 C 0 0 0 0 0 0 0 0 0 15.8265 -11.2963 1.4003 C 0 0 1 0 0 0 0 0 0 17.3189 -11.4212 1.7397 C 0 0 1 0 0 0 0 0 0 15.0323 -10.5520 2.4474 C 0 0 0 0 0 0 0 0 0 13.6513 -10.6879 2.4655 C 0 0 0 0 0 0 0 0 0 12.8883 -10.0055 3.4032 C 0 0 0 0 0 0 0 0 0 9.1279 -9.6690 4.3622 C 0 0 0 0 0 0 0 0 0 8.3378 -9.0135 5.2931 C 0 0 0 0 0 0 0 0 0 17.8334 -10.0373 2.1646 C 0 0 0 0 0 0 0 0 0 15.6431 -9.7303 3.3905 C 0 0 0 0 0 0 0 0 0 13.4909 -9.1630 4.3297 C 0 0 0 0 0 0 0 0 0 11.0983 -8.6434 5.3230 C 0 0 0 0 0 0 0 0 0 8.9164 -8.1830 6.2381 C 0 0 0 0 0 0 0 0 0 17.1413 -9.5863 3.4513 C 0 0 1 0 0 0 0 0 0 14.8806 -9.0195 4.3120 C 0 0 0 0 0 0 0 0 0 12.5987 -8.4438 5.3117 C 0 0 0 0 0 0 0 0 0 10.2896 -7.9944 6.2600 C 0 0 0 0 0 0 0 0 0 20.8497 -11.1120 5.6945 C 0 0 1 0 0 0 0 0 0 20.6726 -10.7998 7.1879 C 0 0 1 0 0 0 0 0 0 19.7992 -9.5480 7.3644 C 0 0 1 0 0 0 0 0 0 18.4901 -9.8213 6.6120 C 0 0 0 0 0 0 0 0 0 18.7844 -10.0851 5.1364 C 0 0 1 0 0 0 0 0 0 20.5962 -12.1733 9.1113 C 0 0 1 0 0 0 0 0 0 19.9865 -13.4776 9.6135 C 0 0 0 0 0 0 0 0 0 20.6488 -13.8462 10.9430 C 0 0 1 0 0 0 0 0 0 22.6565 -12.6260 10.1756 C 0 0 1 0 0 0 0 0 0 22.1706 -13.9574 10.7560 C 0 0 1 0 0 0 0 0 0 22.5727 -15.2933 12.7438 C 0 0 1 0 0 0 0 0 0 22.7198 -16.6406 12.0350 C 0 0 0 0 0 0 0 0 0 22.4324 -17.7396 13.0570 C 0 0 1 0 0 0 0 0 0 23.2545 -16.2173 14.8224 C 0 0 1 0 0 0 0 0 0 23.4051 -17.6254 14.2355 C 0 0 1 0 0 0 0 0 0 23.1422 -18.6515 15.1729 O 0 0 0 0 0 0 0 0 0 21.0960 -17.5638 13.4833 O 0 0 0 0 0 0 0 0 0 24.2697 -15.9563 15.9320 C 0 0 0 0 0 0 0 0 0 24.1494 -12.6799 9.8664 C 0 0 0 0 0 0 0 0 0 20.3410 -12.8495 11.8956 O 0 0 0 0 0 0 0 0 0 17.3825 -12.3705 2.7820 O 0 0 0 0 0 0 0 0 0 21.5783 -12.4444 5.5437 C 0 0 0 0 0 0 0 0 0 19.6445 -9.2039 8.7872 N 0 0 0 0 0 0 0 0 0 20.8517 -8.6685 9.4183 C 0 0 0 0 0 0 0 0 0 18.4551 -8.4429 9.1660 C 0 0 0 0 0 0 0 0 0 15.6351 -10.6026 0.0824 C 0 0 0 0 0 0 0 0 0 15.4856 -9.4036 0.0444 O 0 0 0 0 0 0 0 0 0 15.6382 -11.3417 -1.0600 O 0 0 0 0 0 0 0 0 0 15.2356 -10.6052 -2.1974 C 0 0 0 0 0 0 0 0 0 15.5999 -8.2138 5.1435 O 0 0 0 0 0 0 0 0 0 8.4239 -10.4495 3.4987 O 0 0 0 0 0 0 0 0 0 10.7044 -7.1527 7.2450 O 0 0 0 0 0 0 0 0 0 18.1124 -12.0034 0.5584 C 0 0 0 0 0 0 0 0 0 19.5524 -12.3815 0.9017 C 0 0 0 0 0 0 0 0 0 15.4290 -12.2956 1.3007 H 0 0 0 0 0 0 0 0 0 13.1790 -11.3130 1.7639 H 0 0 0 0 0 0 0 0 0 7.2966 -9.1508 5.2770 H 0 0 0 0 0 0 0 0 0 18.8962 -10.0674 2.3457 H 0 0 0 0 0 0 0 0 0 17.6376 -9.3185 1.3815 H 0 0 0 0 0 0 0 0 0 8.3153 -7.6909 6.9450 H 0 0 0 0 0 0 0 0 0 21.4603 -10.3391 5.2482 H 0 0 0 0 0 0 0 0 0 21.6628 -10.6063 7.5752 H 0 0 0 0 0 0 0 0 0 20.2806 -8.7128 6.8740 H 0 0 0 0 0 0 0 0 0 17.9972 -10.6854 7.0332 H 0 0 0 0 0 0 0 0 0 17.8286 -8.9703 6.6691 H 0 0 0 0 0 0 0 0 0 19.2489 -9.2100 4.6994 H 0 0 0 0 0 0 0 0 0 20.3580 -11.3721 9.7999 H 0 0 0 0 0 0 0 0 0 18.9222 -13.3523 9.7438 H 0 0 0 0 0 0 0 0 0 20.1678 -14.2493 8.8801 H 0 0 0 0 0 0 0 0 0 20.2641 -14.8013 11.2728 H 0 0 0 0 0 0 0 0 0 22.4854 -11.8438 10.9036 H 0 0 0 0 0 0 0 0 0 22.3714 -14.7257 10.0230 H 0 0 0 0 0 0 0 0 0 21.5674 -15.1591 13.1241 H 0 0 0 0 0 0 0 0 0 22.0175 -16.7133 11.2190 H 0 0 0 0 0 0 0 0 0 23.7269 -16.7325 11.6560 H 0 0 0 0 0 0 0 0 0 22.5622 -18.7155 12.6087 H 0 0 0 0 0 0 0 0 0 22.2586 -16.1037 15.2298 H 0 0 0 0 0 0 0 0 0 24.4119 -17.7337 13.8553 H 0 0 0 0 0 0 0 0 0 23.8347 -18.6769 15.8246 H 0 0 0 0 0 0 0 0 0 20.5050 -17.9570 12.8488 H 0 0 0 0 0 0 0 0 0 24.1587 -14.9402 16.2806 H 0 0 0 0 0 0 0 0 0 24.1063 -16.6313 16.7590 H 0 0 0 0 0 0 0 0 0 25.2714 -16.0877 15.5496 H 0 0 0 0 0 0 0 0 0 24.4607 -11.7314 9.4546 H 0 0 0 0 0 0 0 0 0 24.7081 -12.8775 10.7697 H 0 0 0 0 0 0 0 0 0 24.3449 -13.4592 9.1444 H 0 0 0 0 0 0 0 0 0 19.4174 -12.8952 12.1235 H 0 0 0 0 0 0 0 0 0 18.1559 -12.2255 3.3251 H 0 0 0 0 0 0 0 0 0 21.7443 -12.6488 4.4967 H 0 0 0 0 0 0 0 0 0 22.5281 -12.4092 6.0579 H 0 0 0 0 0 0 0 0 0 20.9750 -13.2346 5.9666 H 0 0 0 0 0 0 0 0 0 20.6912 -8.5298 10.4782 H 0 0 0 0 0 0 0 0 0 21.6851 -9.3454 9.3054 H 0 0 0 0 0 0 0 0 0 21.1124 -7.7163 8.9780 H 0 0 0 0 0 0 0 0 0 18.4524 -8.2425 10.2280 H 0 0 0 0 0 0 0 0 0 18.4227 -7.5041 8.6316 H 0 0 0 0 0 0 0 0 0 17.5645 -9.0125 8.9431 H 0 0 0 0 0 0 0 0 0 15.8626 -9.7358 -2.3372 H 0 0 0 0 0 0 0 0 0 15.3190 -11.2369 -3.0697 H 0 0 0 0 0 0 0 0 0 14.2050 -10.2919 -2.0980 H 0 0 0 0 0 0 0 0 0 15.0850 -7.8316 5.8392 H 0 0 0 0 0 0 0 0 0 8.9519 -10.8224 2.8063 H 0 0 0 0 0 0 0 0 0 11.6426 -7.1438 7.3704 H 0 0 0 0 0 0 0 0 0 17.6122 -12.9003 0.2209 H 0 0 0 0 0 0 0 0 0 18.1300 -11.2956 -0.2582 H 0 0 0 0 0 0 0 0 0 20.0315 -12.7878 0.0229 H 0 0 0 0 0 0 0 0 0 20.1068 -11.5154 1.2298 H 0 0 0 0 0 0 0 0 0 19.5598 -13.1294 1.6811 H 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 1 41 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 33 1 0 0 0 0 3 36 1 0 0 0 0 4 29 1 0 0 0 0 4 33 1 0 0 0 0 5 28 1 0 0 0 0 5 32 1 0 0 0 0 6 24 1 0 0 0 0 6 32 1 0 0 0 0 7 24 1 0 0 0 0 8 26 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 22 2 0 0 0 0 12 53 1 1 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 12 62 1 0 0 0 0 13 48 1 0 0 0 0 13 19 1 6 0 0 0 13 60 1 0 0 0 0 14 20 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 63 1 0 0 0 0 16 21 2 0 0 0 0 17 58 1 0 0 0 0 17 18 2 0 0 0 0 18 23 1 0 0 0 0 18 64 1 0 0 0 0 19 24 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 27 2 0 0 0 0 23 67 1 0 0 0 0 25 57 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 6 0 0 0 28 49 1 0 0 0 0 28 68 1 1 0 0 0 29 30 1 1 0 0 0 29 69 1 6 0 0 0 30 50 1 6 0 0 0 30 31 1 1 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 1 0 0 0 33 34 1 0 0 0 0 33 74 1 6 0 0 0 34 35 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 47 1 6 0 0 0 35 37 1 0 0 0 0 35 77 1 0 0 0 0 36 37 1 0 0 0 0 36 46 1 0 0 0 0 36 78 1 6 0 0 0 37 79 1 1 0 0 0 38 39 1 6 0 0 0 38 80 1 1 0 0 0 39 40 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 44 1 1 0 0 0 40 42 1 0 0 0 0 40 83 1 6 0 0 0 41 42 1 6 0 0 0 41 45 1 0 0 0 0 41 84 1 1 0 0 0 42 43 1 1 0 0 0 42 85 1 6 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 45 90 1 0 0 0 0 46 91 1 0 0 0 0 46 92 1 0 0 0 0 46 93 1 0 0 0 0 47 94 1 0 0 0 0 48 95 1 0 0 0 0 49 96 1 0 0 0 0 49 97 1 0 0 0 0 49 98 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 51 99 1 0 0 0 0 51100 1 0 0 0 0 51101 1 0 0 0 0 52102 1 0 0 0 0 52103 1 0 0 0 0 52104 1 0 0 0 0 53 55 1 0 0 0 0 53 54 2 0 0 0 0 55 56 1 0 0 0 0 56105 1 0 0 0 0 56106 1 0 0 0 0 56107 1 0 0 0 0 57108 1 0 0 0 0 58109 1 0 0 0 0 59110 1 0 0 0 0 60 61 1 0 0 0 0 60111 1 0 0 0 0 60112 1 0 0 0 0 61113 1 0 0 0 0 61114 1 0 0 0 0 61115 1 0 0 0 0 M END > 265211 > K $$$$ 265450 1016 111283D 265450 99105 1 1 V2000 -3.0348 7.1256 9.3084 C 0 0 1 0 0 0 0 0 0 -2.2046 8.1480 8.7939 O 0 0 0 0 0 0 0 0 0 -2.1309 7.2245 6.6501 O 0 0 0 0 0 0 0 0 0 -2.0518 1.2825 6.5406 O 0 0 0 0 0 0 0 0 0 -1.4413 6.1585 4.5683 O 0 0 0 0 0 0 0 0 0 3.2409 -2.7372 2.0586 C 0 0 1 0 0 0 0 0 0 0.5061 -2.0068 2.5998 O 0 0 0 0 0 0 0 0 0 0.9571 0.1767 2.1518 O 0 0 0 0 0 0 0 0 0 0.4670 2.0159 -0.0756 C 0 0 1 0 0 0 0 0 0 -3.8423 8.9025 7.1764 C 0 0 1 0 0 0 0 0 0 -4.8698 7.9232 7.7578 C 0 0 1 0 0 0 0 0 0 -2.4192 8.3772 7.4155 C 0 0 1 0 0 0 0 0 0 -4.5086 7.5481 9.2056 C 0 0 1 0 0 0 0 0 0 -2.7866 5.8652 8.5225 C 0 0 0 0 0 0 0 0 0 -2.3336 6.0039 7.2178 C 0 0 0 0 0 0 0 0 0 -2.0731 4.8735 6.4528 C 0 0 0 0 0 0 0 0 0 -1.5936 5.0572 5.0404 C 0 0 0 0 0 0 0 0 0 -1.2929 3.8659 4.1839 C 0 0 0 0 0 0 0 0 0 -0.8666 4.0526 2.8768 C 0 0 0 0 0 0 0 0 0 -0.5719 2.9604 2.0722 C 0 0 0 0 0 0 0 0 0 -0.1276 3.2258 0.6556 C 0 0 0 0 0 0 0 0 0 -2.9915 4.5943 9.0429 C 0 0 0 0 0 0 0 0 0 -2.2502 3.5954 6.9781 C 0 0 0 0 0 0 0 0 0 -1.4394 2.5834 4.6941 C 0 0 0 0 0 0 0 0 0 -0.6976 1.6708 2.5858 C 0 0 0 0 0 0 0 0 0 -0.3924 0.7885 0.2292 C 0 0 0 0 0 0 0 0 0 -2.7208 3.4631 8.2863 C 0 0 0 0 0 0 0 0 0 -1.9252 2.4019 6.1086 C 0 0 0 0 0 0 0 0 0 -1.1366 1.4839 3.8970 C 0 0 0 0 0 0 0 0 0 -0.3544 0.4803 1.7283 C 0 0 1 0 0 0 0 0 0 1.3820 -1.1436 1.8981 C 0 0 1 0 0 0 0 0 0 2.8357 -1.2938 2.3702 C 0 0 1 0 0 0 0 0 0 0.8695 -3.3704 2.4686 C 0 0 1 0 0 0 0 0 0 2.3171 -3.6359 2.9011 C 0 0 1 0 0 0 0 0 0 -6.2278 8.4621 7.6030 N 0 0 0 0 0 0 0 0 0 -7.2728 7.5191 7.2140 C 0 0 0 0 0 0 0 0 0 -6.6700 9.5660 8.4507 C 0 0 0 0 0 0 0 0 0 -5.3140 6.4946 9.6945 O 0 0 0 0 0 0 0 0 0 -2.6242 6.9931 10.7760 C 0 0 0 0 0 0 0 0 0 -4.1288 9.1150 5.8065 O 0 0 0 0 0 0 0 0 0 -2.9570 2.2942 8.9403 O 0 0 0 0 0 0 0 0 0 2.6114 -5.0138 2.7146 O 0 0 0 0 0 0 0 0 0 3.2284 -5.6384 3.8238 C 0 0 0 0 0 0 0 0 0 3.0864 -2.8811 0.6510 O 0 0 0 0 0 0 0 0 0 3.3052 -4.1724 0.1111 C 0 0 0 0 0 0 0 0 0 -0.0957 -4.1733 3.3343 C 0 0 0 0 0 0 0 0 0 4.7083 -2.9127 2.4638 C 0 0 0 0 0 0 0 0 0 -1.2908 0.2494 4.4487 O 0 0 0 0 0 0 0 0 0 3.0790 -1.0736 3.7552 O 0 0 0 0 0 0 0 0 0 2.6918 0.2069 4.2148 C 0 0 0 0 0 0 0 0 0 0.5170 2.2688 -1.5841 C 0 0 0 0 0 0 0 0 0 1.7833 1.7503 0.3543 O 0 0 0 0 0 0 0 0 0 -3.9243 9.8409 7.7041 H 0 0 0 0 0 0 0 0 0 -4.7933 7.0281 7.1572 H 0 0 0 0 0 0 0 0 0 -1.7345 9.1476 7.0902 H 0 0 0 0 0 0 0 0 0 -4.6358 8.4254 9.8246 H 0 0 0 0 0 0 0 0 0 -0.7670 5.0279 2.4964 H 0 0 0 0 0 0 0 0 0 0.5983 4.0261 0.6467 H 0 0 0 0 0 0 0 0 0 -1.0034 3.5579 0.1165 H 0 0 0 0 0 0 0 0 0 -3.3543 4.4716 10.0201 H 0 0 0 0 0 0 0 0 0 -1.4139 0.9738 -0.0705 H 0 0 0 0 0 0 0 0 0 -0.0199 -0.0621 -0.3211 H 0 0 0 0 0 0 0 0 0 -1.0422 -0.3320 1.9214 H 0 0 0 0 0 0 0 0 0 1.3524 -1.3449 0.8351 H 0 0 0 0 0 0 0 0 0 3.4426 -0.6239 1.7782 H 0 0 0 0 0 0 0 0 0 0.7498 -3.6863 1.4415 H 0 0 0 0 0 0 0 0 0 2.4033 -3.3397 3.9390 H 0 0 0 0 0 0 0 0 0 -6.9233 6.8824 6.4138 H 0 0 0 0 0 0 0 0 0 -7.5637 6.9030 8.0517 H 0 0 0 0 0 0 0 0 0 -8.1410 8.0552 6.8577 H 0 0 0 0 0 0 0 0 0 -7.5532 10.0226 8.0268 H 0 0 0 0 0 0 0 0 0 -6.9072 9.2039 9.4405 H 0 0 0 0 0 0 0 0 0 -5.9063 10.3254 8.5257 H 0 0 0 0 0 0 0 0 0 -6.2064 6.8087 9.7958 H 0 0 0 0 0 0 0 0 0 -1.5958 6.6681 10.8361 H 0 0 0 0 0 0 0 0 0 -2.7129 7.9537 11.2617 H 0 0 0 0 0 0 0 0 0 -3.2569 6.2845 11.2898 H 0 0 0 0 0 0 0 0 0 -3.4539 9.6576 5.4128 H 0 0 0 0 0 0 0 0 0 -2.7787 1.5265 8.4133 H 0 0 0 0 0 0 0 0 0 3.4598 -6.6602 3.5603 H 0 0 0 0 0 0 0 0 0 4.1464 -5.1369 4.0944 H 0 0 0 0 0 0 0 0 0 2.5605 -5.6446 4.6737 H 0 0 0 0 0 0 0 0 0 4.2883 -4.5459 0.3549 H 0 0 0 0 0 0 0 0 0 2.5607 -4.8728 0.4599 H 0 0 0 0 0 0 0 0 0 3.2281 -4.1089 -0.9643 H 0 0 0 0 0 0 0 0 0 -1.1078 -3.9830 3.0096 H 0 0 0 0 0 0 0 0 0 0.1167 -5.2286 3.2440 H 0 0 0 0 0 0 0 0 0 0.0060 -3.8717 4.3666 H 0 0 0 0 0 0 0 0 0 5.3267 -2.2531 1.8729 H 0 0 0 0 0 0 0 0 0 4.8386 -2.6766 3.5101 H 0 0 0 0 0 0 0 0 0 5.0278 -3.9299 2.2984 H 0 0 0 0 0 0 0 0 0 -0.8002 -0.4231 3.9862 H 0 0 0 0 0 0 0 0 0 3.1618 0.3898 5.1696 H 0 0 0 0 0 0 0 0 0 2.9879 0.9861 3.5261 H 0 0 0 0 0 0 0 0 0 1.6204 0.2399 4.3523 H 0 0 0 0 0 0 0 0 0 1.1245 3.1383 -1.7886 H 0 0 0 0 0 0 0 0 0 0.9552 1.4145 -2.0793 H 0 0 0 0 0 0 0 0 0 -0.4780 2.4321 -1.9725 H 0 0 0 0 0 0 0 0 0 2.3305 2.5210 0.2472 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 6 0 0 0 1 14 1 0 0 0 0 1 39 1 1 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 28 2 0 0 0 0 5 17 2 0 0 0 0 6 44 1 6 0 0 0 6 32 1 0 0 0 0 6 34 1 0 0 0 0 6 47 1 1 0 0 0 7 31 1 0 0 0 0 7 33 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 52 1 1 0 0 0 9 26 1 0 0 0 0 9 21 1 0 0 0 0 9 51 1 6 0 0 0 10 40 1 6 0 0 0 10 12 1 1 0 0 0 10 11 1 0 0 0 0 10 53 1 0 0 0 0 11 35 1 6 0 0 0 11 13 1 1 0 0 0 11 54 1 0 0 0 0 12 55 1 6 0 0 0 13 38 1 0 0 0 0 13 56 1 1 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 17 18 1 0 0 0 0 18 24 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 27 2 0 0 0 0 22 60 1 0 0 0 0 23 28 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 29 2 0 0 0 0 26 30 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 41 1 0 0 0 0 29 48 1 0 0 0 0 30 63 1 6 0 0 0 31 32 1 1 0 0 0 31 64 1 6 0 0 0 32 49 1 1 0 0 0 32 65 1 6 0 0 0 33 34 1 1 0 0 0 33 46 1 0 0 0 0 33 66 1 6 0 0 0 34 42 1 6 0 0 0 34 67 1 1 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 41 79 1 0 0 0 0 42 43 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 44 45 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 47 89 1 0 0 0 0 47 90 1 0 0 0 0 47 91 1 0 0 0 0 48 92 1 0 0 0 0 49 50 1 0 0 0 0 50 93 1 0 0 0 0 50 94 1 0 0 0 0 50 95 1 0 0 0 0 51 96 1 0 0 0 0 51 97 1 0 0 0 0 51 98 1 0 0 0 0 52 99 1 0 0 0 0 M END > 265450 > K $$$$ 265473 1016 111283D 265473 64 64 1 1 V2000 26.4067 -8.8289 1.2964 O 0 0 0 0 0 0 0 0 0 22.2198 -7.5060 1.0052 O 0 0 0 0 0 0 0 0 0 24.9315 -10.2871 0.5139 N 0 0 0 0 0 0 0 0 0 25.6496 -10.9310 0.4167 H 0 0 0 0 0 0 0 0 0 21.0174 -11.0610 -0.3981 H 0 0 0 0 0 0 0 0 0 21.2276 -10.0861 -0.0676 C 0 0 0 0 0 0 0 0 0 20.2041 -9.2229 0.0005 C 0 0 0 0 0 0 0 0 0 20.3460 -8.2286 0.2977 H 0 0 0 0 0 0 0 0 0 16.2140 -7.3599 -2.5698 S 0 0 0 0 0 0 0 0 0 23.0324 -8.3829 0.8431 C 0 0 0 0 0 0 0 0 0 22.6520 -9.7371 0.3015 C 0 0 0 0 0 0 0 0 0 23.6541 -10.6247 0.1642 C 0 0 0 0 0 0 0 0 0 25.2618 -9.0669 1.0036 C 0 0 0 0 0 0 0 0 0 24.3176 -8.1179 1.1654 N 0 0 0 0 0 0 0 0 0 23.4154 -12.0101 -0.3738 C 0 0 0 0 0 0 0 0 0 18.8180 -9.6723 -0.3522 C 0 0 0 0 0 0 0 0 0 18.6197 -10.8257 -0.6492 O 0 0 0 0 0 0 0 0 0 17.7785 -8.8003 -0.3414 N 0 0 0 0 0 0 0 0 0 15.4288 -8.5081 0.3158 C 0 0 0 0 0 0 0 0 0 16.4321 -9.2580 -0.5608 C 0 0 1 0 0 0 0 0 0 16.0911 -9.0979 -2.0411 C 0 0 0 0 0 0 0 0 0 14.1341 -9.0151 0.0712 O 0 0 0 0 0 0 0 0 0 15.8336 -7.3729 -4.3463 C 0 0 0 0 0 0 0 0 0 14.3881 -7.8198 -4.5658 C 0 0 0 0 0 0 0 0 0 13.9887 -7.8656 -6.0418 C 0 0 0 0 0 0 0 0 0 13.9650 -6.4874 -6.7151 C 0 0 0 0 0 0 0 0 0 14.9771 -6.3925 -7.8597 C 0 0 0 0 0 0 0 0 0 15.0190 -5.0092 -8.5162 C 0 0 0 0 0 0 0 0 0 13.6951 -4.5321 -9.1249 C 0 0 0 0 0 0 0 0 0 13.0885 -5.4615 -10.1804 C 0 0 0 0 0 0 0 0 0 13.9825 -5.6361 -11.4100 C 0 0 0 0 0 0 0 0 0 13.3103 -6.5229 -12.4557 C 0 0 0 0 0 0 0 0 0 24.5625 -7.2490 1.5122 H 0 0 0 0 0 0 0 0 0 24.3390 -12.5696 -0.3957 H 0 0 0 0 0 0 0 0 0 22.7108 -12.5328 0.2566 H 0 0 0 0 0 0 0 0 0 23.0256 -11.9485 -1.3796 H 0 0 0 0 0 0 0 0 0 17.9483 -7.8575 -0.1880 H 0 0 0 0 0 0 0 0 0 15.6925 -8.6581 1.3535 H 0 0 0 0 0 0 0 0 0 15.4671 -7.4511 0.0915 H 0 0 0 0 0 0 0 0 0 16.3449 -10.3071 -0.3105 H 0 0 0 0 0 0 0 0 0 15.0877 -9.4604 -2.2076 H 0 0 0 0 0 0 0 0 0 16.7801 -9.6901 -2.6256 H 0 0 0 0 0 0 0 0 0 13.5040 -8.5203 0.5857 H 0 0 0 0 0 0 0 0 0 15.9750 -6.3734 -4.7303 H 0 0 0 0 0 0 0 0 0 16.5116 -8.0441 -4.8534 H 0 0 0 0 0 0 0 0 0 14.2689 -8.8151 -4.1647 H 0 0 0 0 0 0 0 0 0 13.7235 -7.1543 -4.0332 H 0 0 0 0 0 0 0 0 0 14.6535 -8.5389 -6.5651 H 0 0 0 0 0 0 0 0 0 12.9929 -8.2829 -6.0953 H 0 0 0 0 0 0 0 0 0 12.9730 -6.3249 -7.1109 H 0 0 0 0 0 0 0 0 0 14.1665 -5.7076 -5.9943 H 0 0 0 0 0 0 0 0 0 15.9625 -6.6061 -7.4698 H 0 0 0 0 0 0 0 0 0 14.7420 -7.1378 -8.6061 H 0 0 0 0 0 0 0 0 0 15.3265 -4.2875 -7.7728 H 0 0 0 0 0 0 0 0 0 15.7729 -5.0252 -9.2899 H 0 0 0 0 0 0 0 0 0 12.9734 -4.4055 -8.3310 H 0 0 0 0 0 0 0 0 0 13.8601 -3.5634 -9.5747 H 0 0 0 0 0 0 0 0 0 12.8857 -6.4271 -9.7400 H 0 0 0 0 0 0 0 0 0 12.1484 -5.0332 -10.4986 H 0 0 0 0 0 0 0 0 0 14.1847 -4.6686 -11.8476 H 0 0 0 0 0 0 0 0 0 14.9175 -6.0940 -11.1216 H 0 0 0 0 0 0 0 0 0 13.1186 -7.5018 -12.0404 H 0 0 0 0 0 0 0 0 0 12.3768 -6.0795 -12.7714 H 0 0 0 0 0 0 0 0 0 13.9600 -6.6245 -13.3129 H 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 10 2 0 0 0 0 3 13 1 0 0 0 0 3 12 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 6 7 2 0 0 0 0 7 16 1 0 0 0 0 7 8 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 6 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 M END > 265473 > K $$$$ 266535 1016 111283D 266535 35 38 1 1 V2000 0.3020 1.4629 1.0009 O 0 0 0 0 0 0 0 0 0 1.4788 0.7150 -0.8950 O 0 0 0 0 0 0 0 0 0 -1.2773 -2.9219 3.4977 O 0 0 0 0 0 0 0 0 0 1.0246 -6.9466 -0.1425 C 0 0 1 0 0 0 0 0 0 -0.0345 -6.3949 0.8159 C 0 0 2 0 0 0 0 0 0 1.4534 -5.2382 1.7799 H 0 0 0 0 0 0 0 0 0 1.1637 -6.0209 -1.3518 C 0 0 2 0 0 0 0 0 0 1.0695 -4.5511 -1.0289 C 0 0 0 0 0 0 0 0 0 0.7450 -4.0806 0.1897 C 0 0 0 0 0 0 0 0 0 0.6260 -2.5956 0.4633 C 0 0 0 0 0 0 0 0 0 1.1785 -1.6654 -0.4153 C 0 0 0 0 0 0 0 0 0 1.0211 -0.3159 -0.1542 C 0 0 0 0 0 0 0 0 0 0.4917 -5.0467 1.3231 C 0 0 1 0 0 0 0 0 0 0.3376 0.1114 0.9578 C 0 0 0 0 0 0 0 0 0 -0.0470 -2.1572 1.6077 C 0 0 0 0 0 0 0 0 0 -0.2087 -0.7913 1.8613 C 0 0 0 0 0 0 0 0 0 -0.5882 -3.2039 2.5487 C 0 0 0 0 0 0 0 0 0 1.0111 1.8445 -0.1698 C 0 0 0 0 0 0 0 0 0 -0.8615 -0.2509 2.9291 O 0 0 0 0 0 0 0 0 0 -0.3292 -4.5230 2.3800 N 0 0 0 0 0 0 0 0 0 0.1101 -6.3053 -2.2464 O 0 0 0 0 0 0 0 0 0 2.2763 -7.0442 0.5079 O 0 0 0 0 0 0 0 0 0 -0.2012 -7.2808 1.9052 O 0 0 0 0 0 0 0 0 0 0.7259 -7.9241 -0.4950 H 0 0 0 0 0 0 0 0 0 -0.9747 -6.2489 0.2998 H 0 0 0 0 0 0 0 0 0 2.1160 -6.2363 -1.8192 H 0 0 0 0 0 0 0 0 0 1.2637 -3.8852 -1.8148 H 0 0 0 0 0 0 0 0 0 1.7129 -1.9527 -1.2705 H 0 0 0 0 0 0 0 0 0 0.3575 2.4271 -0.8052 H 0 0 0 0 0 0 0 0 0 1.8530 2.4624 0.1120 H 0 0 0 0 0 0 0 0 0 -1.2789 -0.8933 3.4858 H 0 0 0 0 0 0 0 0 0 -0.7194 -5.1415 3.0193 H 0 0 0 0 0 0 0 0 0 0.2829 -5.8792 -3.0821 H 0 0 0 0 0 0 0 0 0 2.1827 -7.6175 1.2657 H 0 0 0 0 0 0 0 0 0 -0.6738 -8.0545 1.6135 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 1 0 0 0 4 5 1 0 0 0 0 4 7 1 6 0 0 0 4 24 1 0 0 0 0 5 23 1 1 0 0 0 5 13 1 0 0 0 0 5 25 1 6 0 0 0 6 13 1 0 0 0 0 7 21 1 6 0 0 0 7 8 1 1 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END > 266535 > K $$$$ 267033 1016 111283D 267033 45 48 1 1 V2000 -0.9110 1.3042 -0.1753 C 0 0 0 0 0 0 0 0 0 -0.0281 0.1165 0.1105 C 0 0 0 0 0 0 0 0 0 1.3100 0.2164 0.1638 C 0 0 0 0 0 0 0 0 0 2.0524 1.5080 -0.0565 C 0 0 2 0 0 0 0 0 0 1.2390 2.6445 -0.7184 C 0 0 1 0 0 0 0 0 0 -0.1741 2.6405 -0.1020 C 0 0 0 0 0 0 0 0 0 -0.6865 -1.2157 0.3329 C 0 0 0 0 0 0 0 0 0 1.8585 3.9756 -0.2399 C 0 0 0 0 0 0 0 0 0 1.3046 2.5329 -2.2718 C 0 0 1 0 0 0 0 0 0 2.7898 2.5635 -2.6133 C 0 0 2 0 0 0 0 0 0 3.3489 1.2502 -2.1112 C 0 0 1 0 0 0 0 0 0 3.2923 1.2200 -0.6906 O 0 0 0 0 0 0 0 0 0 2.3435 0.3366 -2.7995 C 0 0 0 0 0 0 0 0 0 1.0275 1.1236 -2.8487 C 0 0 2 0 0 0 0 0 0 3.6440 3.7781 -2.9436 C 0 0 0 0 0 0 0 0 0 3.1420 2.9069 -3.9336 O 0 0 0 0 0 0 0 0 0 0.5115 3.6196 -3.0127 C 0 0 0 0 0 0 0 0 0 2.2966 1.8228 0.9486 H 0 0 0 0 0 0 0 0 0 4.3553 1.0699 -2.4606 H 0 0 0 0 0 0 0 0 0 0.6368 1.1570 -4.2092 O 0 0 0 0 0 0 0 0 0 -0.6987 1.3264 -4.4055 C 0 0 0 0 0 0 0 0 0 -1.4666 1.4142 -3.4761 O 0 0 0 0 0 0 0 0 0 -1.2248 1.4108 -5.7995 C 0 0 0 0 0 0 0 0 0 -1.3518 1.1922 -1.1538 H 0 0 0 0 0 0 0 0 0 -1.7213 1.3246 0.5396 H 0 0 0 0 0 0 0 0 0 1.8799 -0.6406 0.3741 H 0 0 0 0 0 0 0 0 0 -0.7869 3.4120 -0.5452 H 0 0 0 0 0 0 0 0 0 -0.0864 2.8607 0.9534 H 0 0 0 0 0 0 0 0 0 0.0453 -1.9914 0.5073 H 0 0 0 0 0 0 0 0 0 -1.3387 -1.1519 1.1918 H 0 0 0 0 0 0 0 0 0 -1.2696 -1.4762 -0.5383 H 0 0 0 0 0 0 0 0 0 1.7976 4.0625 0.8357 H 0 0 0 0 0 0 0 0 0 2.9039 4.0408 -0.4992 H 0 0 0 0 0 0 0 0 0 1.3354 4.8183 -0.6657 H 0 0 0 0 0 0 0 0 0 2.6708 0.1539 -3.8132 H 0 0 0 0 0 0 0 0 0 2.2502 -0.6035 -2.2766 H 0 0 0 0 0 0 0 0 0 0.2956 0.5722 -2.2866 H 0 0 0 0 0 0 0 0 0 3.1739 4.7499 -2.9485 H 0 0 0 0 0 0 0 0 0 4.7105 3.6963 -2.7952 H 0 0 0 0 0 0 0 0 0 0.6879 3.5409 -4.0760 H 0 0 0 0 0 0 0 0 0 -0.5445 3.4958 -2.8240 H 0 0 0 0 0 0 0 0 0 0.8061 4.6096 -2.7048 H 0 0 0 0 0 0 0 0 0 -1.1022 2.4242 -6.1500 H 0 0 0 0 0 0 0 0 0 -0.6684 0.7372 -6.4329 H 0 0 0 0 0 0 0 0 0 -2.2713 1.1461 -5.8072 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 12 1 6 0 0 0 4 5 1 0 0 0 0 4 18 1 1 0 0 0 5 9 1 6 0 0 0 5 6 1 1 0 0 0 5 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 6 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 16 1 6 0 0 0 10 11 1 1 0 0 0 10 15 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 11 19 1 6 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 20 1 6 0 0 0 14 37 1 1 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END > 267033 > K $$$$ 267213 1016 111283D 267213 27 27 0 1 V2000 -2.7567 -1.4423 2.1132 N 0 0 0 0 0 0 0 0 0 0.5106 -1.1343 1.9511 C 0 0 0 0 0 0 0 0 0 1.5866 -1.7666 2.5611 C 0 0 0 0 0 0 0 0 0 -0.0661 -1.6806 0.8125 C 0 0 0 0 0 0 0 0 0 2.0946 -2.9538 2.0395 C 0 0 0 0 0 0 0 0 0 0.4310 -2.8671 0.2898 C 0 0 0 0 0 0 0 0 0 1.5069 -3.4958 0.9036 C 0 0 0 0 0 0 0 0 0 3.1470 -3.6492 2.5607 O 0 0 0 0 0 0 0 0 0 3.7789 -3.1562 3.7263 C 0 0 0 0 0 0 0 0 0 -1.4401 -0.8521 0.0332 S 0 0 0 0 0 0 0 0 0 -1.1453 0.5393 -0.1084 O 0 0 0 0 0 0 0 0 0 -1.6899 -1.4167 -1.2561 O 0 0 0 0 0 0 0 0 0 -2.8056 -0.9952 0.9340 N 0 0 0 0 0 0 0 0 0 -3.7629 -1.5784 2.8498 C 0 0 0 0 0 0 0 0 0 -3.6325 -2.1103 4.2454 C 0 0 0 0 0 0 0 0 0 -2.5276 -2.4353 4.7018 O 0 0 0 0 0 0 0 0 0 -4.7366 -2.2385 5.0207 O 0 0 0 0 0 0 0 0 0 0.1307 -0.2398 2.3497 H 0 0 0 0 0 0 0 0 0 2.0104 -1.3372 3.4190 H 0 0 0 0 0 0 0 0 0 -0.0053 -3.2873 -0.5685 H 0 0 0 0 0 0 0 0 0 1.8856 -4.3922 0.5091 H 0 0 0 0 0 0 0 0 0 4.5756 -3.8341 3.9962 H 0 0 0 0 0 0 0 0 0 4.2070 -2.1802 3.5462 H 0 0 0 0 0 0 0 0 0 3.0795 -3.1065 4.5489 H 0 0 0 0 0 0 0 0 0 -3.6394 -0.7204 0.5189 H 0 0 0 0 0 0 0 0 0 -4.7183 -1.3215 2.4997 H 0 0 0 0 0 0 0 0 0 -4.4507 -2.5852 5.8586 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 2 4 2 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 5 2 0 0 0 0 3 19 1 0 0 0 0 4 10 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 27 1 0 0 0 0 M END > 267213 > K $$$$ 267229 1016 111283D 267229 77 81 1 1 V2000 -7.7054 -5.2940 0.7067 O 0 0 0 0 0 0 0 0 0 -4.9935 -0.8177 1.3195 O 0 0 0 0 0 0 0 0 0 -2.5407 -1.6394 5.8060 O 0 0 0 0 0 0 0 0 0 -3.9250 -6.7778 3.7233 C 0 0 2 0 0 0 0 0 0 -3.1930 -3.8529 5.8005 O 0 0 0 0 0 0 0 0 0 -8.8284 -2.9571 -0.5267 C 0 0 0 0 0 0 0 0 0 -9.2613 -1.7784 -1.1135 C 0 0 0 0 0 0 0 0 0 -7.6509 -2.9685 0.2247 C 0 0 0 0 0 0 0 0 0 -7.1433 -4.2376 0.8654 C 0 0 0 0 0 0 0 0 0 -5.9165 -4.2386 1.7307 C 0 0 0 0 0 0 0 0 0 -5.4915 -5.4312 2.3037 C 0 0 0 0 0 0 0 0 0 -4.3993 -5.4559 3.1624 C 0 0 0 0 0 0 0 0 0 -3.1405 -6.6188 5.0327 C 0 0 1 0 0 0 0 0 0 -8.5308 -0.6124 -0.9593 C 0 0 0 0 0 0 0 0 0 -6.9207 -1.7905 0.3925 C 0 0 0 0 0 0 0 0 0 -5.2135 -3.0618 1.9552 C 0 0 0 0 0 0 0 0 0 -3.7640 -4.2580 3.4809 C 0 0 0 0 0 0 0 0 0 -2.0441 -5.5659 4.8016 C 0 0 0 0 0 0 0 0 0 -7.3639 -0.6102 -0.2115 C 0 0 0 0 0 0 0 0 0 -5.6613 -1.8172 1.2291 C 0 0 0 0 0 0 0 0 0 -4.1316 -3.0800 2.8375 C 0 0 0 0 0 0 0 0 0 -2.6727 -4.2002 4.5293 C 0 0 2 0 0 0 0 0 0 -3.6377 -2.5206 5.9408 C 0 0 1 0 0 0 0 0 0 -4.3476 -2.4147 7.2871 C 0 0 0 0 0 0 0 0 0 -3.3543 -2.6245 8.4334 C 0 0 1 0 0 0 0 0 0 -1.6256 -1.6069 6.8857 C 0 0 1 0 0 0 0 0 0 -2.2968 -1.5211 8.2658 C 0 0 1 0 0 0 0 0 0 -9.6452 -4.0178 -0.7651 O 0 0 0 0 0 0 0 0 0 -6.7677 0.6117 -0.1591 O 0 0 0 0 0 0 0 0 0 -2.9250 -0.2662 8.4418 O 0 0 0 0 0 0 0 0 0 -3.3597 -2.0037 3.1502 O 0 0 0 0 0 0 0 0 0 -0.6328 -2.7647 6.7901 C 0 0 0 0 0 0 0 0 0 -4.0200 -2.6329 9.7470 N 0 0 0 0 0 0 0 0 0 -5.0068 -3.6975 9.9347 C 0 0 0 0 0 0 0 0 0 -3.1289 -2.5440 10.9040 C 0 0 0 0 0 0 0 0 0 -3.0289 -7.4562 2.7266 C 0 0 0 0 0 0 0 0 0 -3.0256 -8.6621 2.6470 O 0 0 0 0 0 0 0 0 0 -2.2227 -6.7030 1.9299 O 0 0 0 0 0 0 0 0 0 -1.3813 -7.4806 1.1025 C 0 0 0 0 0 0 0 0 0 -4.0873 -6.2068 5.9946 O 0 0 0 0 0 0 0 0 0 -2.5215 -7.9276 5.5506 C 0 0 0 0 0 0 0 0 0 -3.5513 -9.0291 5.8052 C 0 0 0 0 0 0 0 0 0 -4.7775 -7.4114 3.9042 H 0 0 0 0 0 0 0 0 0 -10.1478 -1.7741 -1.6768 H 0 0 0 0 0 0 0 0 0 -6.0042 -6.3233 2.0857 H 0 0 0 0 0 0 0 0 0 -8.8583 0.2786 -1.4090 H 0 0 0 0 0 0 0 0 0 -1.4251 -5.4946 5.6826 H 0 0 0 0 0 0 0 0 0 -1.4110 -5.8450 3.9724 H 0 0 0 0 0 0 0 0 0 -1.8981 -3.5044 4.2335 H 0 0 0 0 0 0 0 0 0 -4.3761 -2.2759 5.1917 H 0 0 0 0 0 0 0 0 0 -4.8077 -1.4416 7.3795 H 0 0 0 0 0 0 0 0 0 -5.1144 -3.1728 7.2982 H 0 0 0 0 0 0 0 0 0 -2.8777 -3.5856 8.3018 H 0 0 0 0 0 0 0 0 0 -1.0451 -0.7043 6.7621 H 0 0 0 0 0 0 0 0 0 -1.5279 -1.6392 9.0152 H 0 0 0 0 0 0 0 0 0 -9.3757 -4.8109 -0.3236 H 0 0 0 0 0 0 0 0 0 -5.9505 0.6238 0.3179 H 0 0 0 0 0 0 0 0 0 -2.2771 0.4281 8.3957 H 0 0 0 0 0 0 0 0 0 -3.6238 -1.1951 2.7363 H 0 0 0 0 0 0 0 0 0 -0.1908 -2.7738 5.8048 H 0 0 0 0 0 0 0 0 0 0.1476 -2.6424 7.5267 H 0 0 0 0 0 0 0 0 0 -1.1329 -3.7036 6.9641 H 0 0 0 0 0 0 0 0 0 -5.4424 -3.6419 10.9223 H 0 0 0 0 0 0 0 0 0 -5.8173 -3.6022 9.2286 H 0 0 0 0 0 0 0 0 0 -4.5425 -4.6661 9.8128 H 0 0 0 0 0 0 0 0 0 -3.6932 -2.5760 11.8252 H 0 0 0 0 0 0 0 0 0 -2.4221 -3.3619 10.8981 H 0 0 0 0 0 0 0 0 0 -2.5933 -1.6063 10.8948 H 0 0 0 0 0 0 0 0 0 -1.9655 -8.1033 0.4389 H 0 0 0 0 0 0 0 0 0 -0.7689 -6.8191 0.5075 H 0 0 0 0 0 0 0 0 0 -0.7328 -8.1057 1.7008 H 0 0 0 0 0 0 0 0 0 -3.6424 -5.8480 6.7569 H 0 0 0 0 0 0 0 0 0 -1.7852 -8.2965 4.8508 H 0 0 0 0 0 0 0 0 0 -2.0213 -7.7197 6.4853 H 0 0 0 0 0 0 0 0 0 -4.3038 -8.6778 6.4962 H 0 0 0 0 0 0 0 0 0 -4.0260 -9.3260 4.8815 H 0 0 0 0 0 0 0 0 0 -3.0569 -9.8909 6.2293 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 20 2 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 36 1 6 0 0 0 4 13 1 0 0 0 0 4 12 1 1 0 0 0 4 43 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 28 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 7 14 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 10 16 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 45 1 0 0 0 0 12 17 1 0 0 0 0 13 40 1 1 0 0 0 13 18 1 0 0 0 0 13 41 1 6 0 0 0 14 19 2 0 0 0 0 14 46 1 0 0 0 0 15 20 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 29 1 0 0 0 0 21 31 1 0 0 0 0 22 49 1 1 0 0 0 23 24 1 1 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 33 1 1 0 0 0 25 27 1 0 0 0 0 25 53 1 6 0 0 0 26 27 1 1 0 0 0 26 32 1 6 0 0 0 26 54 1 0 0 0 0 27 30 1 1 0 0 0 27 55 1 6 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 38 1 0 0 0 0 36 37 2 0 0 0 0 38 39 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 M END > 267229 > K $$$$ 267461 1016 111283D 267461 36 38 1 1 V2000 2.4457 -0.8159 5.1368 C 0 0 0 0 0 0 0 0 0 2.8457 -1.9880 5.7620 C 0 0 0 0 0 0 0 0 0 2.6077 -0.6477 3.7681 C 0 0 0 0 0 0 0 0 0 3.4132 -3.0053 5.0092 C 0 0 0 0 0 0 0 0 0 3.1797 -1.6699 3.0085 C 0 0 0 0 0 0 0 0 0 3.5778 -2.8462 3.6389 C 0 0 0 0 0 0 0 0 0 3.3907 -1.5626 1.5185 C 0 0 0 0 0 0 0 0 0 3.0730 -0.5741 0.9023 O 0 0 0 0 0 0 0 0 0 4.1923 -3.9626 2.8423 C 0 0 0 0 0 0 0 0 0 4.5375 -4.9797 3.3946 O 0 0 0 0 0 0 0 0 0 4.3821 -3.8266 1.3596 C 0 0 0 0 0 0 0 0 0 4.0098 -2.6935 0.7439 C 0 0 0 0 0 0 0 0 0 4.9935 -4.9746 0.6003 C 0 0 0 0 0 0 0 0 0 4.2039 -2.5331 -0.7413 C 0 0 1 0 0 0 0 0 0 4.7190 -4.8589 -0.9012 C 0 0 1 0 0 0 0 0 0 5.0339 -3.5385 -1.2967 O 0 0 0 0 0 0 0 0 0 2.1721 0.5489 3.2897 O 0 0 0 0 0 0 0 0 0 2.8651 -2.4933 -1.4796 C 0 0 0 0 0 0 0 0 0 5.5892 -5.7914 -1.7429 C 0 0 0 0 0 0 0 0 0 5.2481 -7.2376 -1.5517 C 0 0 0 0 0 0 0 0 0 4.2314 -7.5698 -0.9269 O 0 0 0 0 0 0 0 0 0 6.0575 -8.1919 -2.0684 O 0 0 0 0 0 0 0 0 0 2.0146 -0.0423 5.7008 H 0 0 0 0 0 0 0 0 0 2.7190 -2.1039 6.7984 H 0 0 0 0 0 0 0 0 0 3.7178 -3.8954 5.4780 H 0 0 0 0 0 0 0 0 0 6.0603 -4.9470 0.7706 H 0 0 0 0 0 0 0 0 0 4.6029 -5.9119 0.9710 H 0 0 0 0 0 0 0 0 0 4.6951 -1.5845 -0.9111 H 0 0 0 0 0 0 0 0 0 3.6805 -5.0831 -1.1040 H 0 0 0 0 0 0 0 0 0 2.3173 0.6508 2.3585 H 0 0 0 0 0 0 0 0 0 2.2866 -1.6400 -1.1566 H 0 0 0 0 0 0 0 0 0 3.0511 -2.4109 -2.5405 H 0 0 0 0 0 0 0 0 0 2.2978 -3.3924 -1.2899 H 0 0 0 0 0 0 0 0 0 5.4341 -5.5525 -2.7843 H 0 0 0 0 0 0 0 0 0 6.6307 -5.6337 -1.5054 H 0 0 0 0 0 0 0 0 0 5.6858 -9.0344 -1.8327 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 23 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 17 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 6 0 0 0 14 18 1 1 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 6 0 0 0 15 29 1 1 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 22 36 1 0 0 0 0 M END > 267461 > K $$$$ 267700 1016 111283D 267700 55 57 0 1 V2000 -26.2857 -0.9401 13.0943 N 0 0 0 0 0 0 0 0 0 -25.0868 0.9483 16.9466 O 0 0 0 0 0 0 0 0 0 -22.0671 -0.3860 13.7453 O 0 0 0 0 0 0 0 0 0 -24.3723 -2.8134 8.2481 Cl 0 0 0 0 0 0 0 0 0 -21.7823 -4.3704 9.2024 Cl 0 0 0 0 0 0 0 0 0 -25.6151 0.4566 14.6594 C 0 0 0 0 0 0 0 0 0 -26.7036 -0.0975 14.0183 C 0 0 0 0 0 0 0 0 0 -28.1824 0.0172 14.1139 C 0 0 0 0 0 0 0 0 0 -28.5129 -1.2622 13.3261 C 0 0 0 0 0 0 0 0 0 -24.4954 -0.1233 14.0774 C 0 0 0 0 0 0 0 0 0 -27.3443 -1.5682 12.3704 C 0 0 0 0 0 0 0 0 0 -24.9376 -0.9915 13.0800 C 0 0 0 0 0 0 0 0 0 -24.1422 -1.8498 12.1328 C 0 0 0 0 0 0 0 0 0 -24.5471 -1.9408 10.8058 C 0 0 0 0 0 0 0 0 0 -23.8351 -2.7168 9.9013 C 0 0 0 0 0 0 0 0 0 -23.0187 -2.5541 12.5506 C 0 0 0 0 0 0 0 0 0 -22.7050 -3.4071 10.3214 C 0 0 0 0 0 0 0 0 0 -22.3033 -3.3304 11.6480 C 0 0 0 0 0 0 0 0 0 -25.6450 1.4753 15.7604 C 0 0 0 0 0 0 0 0 0 -25.9067 0.0570 17.5616 C 0 0 0 0 0 0 0 0 0 -26.9494 -0.2967 17.0648 O 0 0 0 0 0 0 0 0 0 -23.0924 0.2011 14.5209 C 0 0 0 0 0 0 0 0 0 -25.5279 -0.4354 18.7616 N 0 0 0 0 0 0 0 0 0 -26.3155 -1.4124 19.4599 C 0 0 0 0 0 0 0 0 0 -27.6424 -0.8183 19.9244 C 0 0 0 0 0 0 0 0 0 -21.7218 0.3231 12.6414 C 0 0 0 0 0 0 0 0 0 -22.1688 1.4247 12.4304 O 0 0 0 0 0 0 0 0 0 -20.8508 -0.2482 11.7763 N 0 0 0 0 0 0 0 0 0 -20.4061 0.4077 10.5788 C 0 0 0 0 0 0 0 0 0 -21.5680 0.6861 9.6278 C 0 0 0 0 0 0 0 0 0 -28.5444 -0.0194 15.1301 H 0 0 0 0 0 0 0 0 0 -28.5212 0.9009 13.5932 H 0 0 0 0 0 0 0 0 0 -28.5764 -2.0755 14.0346 H 0 0 0 0 0 0 0 0 0 -29.4504 -1.1751 12.7957 H 0 0 0 0 0 0 0 0 0 -27.4951 -1.0745 11.4212 H 0 0 0 0 0 0 0 0 0 -27.1938 -2.6311 12.2417 H 0 0 0 0 0 0 0 0 0 -25.3962 -1.4175 10.4789 H 0 0 0 0 0 0 0 0 0 -22.7078 -2.5041 13.5527 H 0 0 0 0 0 0 0 0 0 -21.4560 -3.8622 11.9691 H 0 0 0 0 0 0 0 0 0 -26.6569 1.8201 15.9264 H 0 0 0 0 0 0 0 0 0 -25.0507 2.3228 15.4501 H 0 0 0 0 0 0 0 0 0 -22.9908 -0.1916 15.5227 H 0 0 0 0 0 0 0 0 0 -22.9766 1.2750 14.5878 H 0 0 0 0 0 0 0 0 0 -24.7003 -0.1094 19.1464 H 0 0 0 0 0 0 0 0 0 -26.5045 -2.2595 18.8149 H 0 0 0 0 0 0 0 0 0 -25.7710 -1.7512 20.3301 H 0 0 0 0 0 0 0 0 0 -28.2009 -1.5687 20.4652 H 0 0 0 0 0 0 0 0 0 -27.4531 0.0237 20.5728 H 0 0 0 0 0 0 0 0 0 -28.2250 -0.4908 19.0747 H 0 0 0 0 0 0 0 0 0 -20.5228 -1.1350 11.9869 H 0 0 0 0 0 0 0 0 0 -19.9097 1.3367 10.8259 H 0 0 0 0 0 0 0 0 0 -19.6977 -0.2355 10.0754 H 0 0 0 0 0 0 0 0 0 -22.0783 -0.2366 9.3920 H 0 0 0 0 0 0 0 0 0 -22.2654 1.3724 10.0851 H 0 0 0 0 0 0 0 0 0 -21.1880 1.1270 8.7177 H 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 7 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 22 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 5 17 1 0 0 0 0 6 19 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 22 1 0 0 0 0 10 12 2 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END > 267700 > K $$$$ 267712 1016 111283D 267712 69 74 1 1 V2000 1.2461 1.1471 -4.1169 C 0 0 0 0 0 0 0 0 0 0.6405 -0.2358 -2.3240 O 0 0 0 0 0 0 0 0 0 0.7672 -0.1438 -3.5226 C 0 0 0 0 0 0 0 0 0 0.4807 -1.2062 -4.3240 O 0 0 0 0 0 0 0 0 0 0.2221 -3.5557 -4.6207 C 0 0 0 0 0 0 0 0 0 0.6748 -2.4451 -3.6717 C 0 0 1 0 0 0 0 0 0 0.5887 -4.9458 -4.0852 C 0 0 0 0 0 0 0 0 0 2.1647 -2.5959 -3.3431 C 0 0 0 0 0 0 0 0 0 2.0919 -5.1142 -3.7777 C 0 0 1 0 0 0 0 0 0 2.4742 -3.9878 -2.7930 C 0 0 1 0 0 0 0 0 0 2.3519 -6.4608 -3.0567 C 0 0 1 0 0 0 0 0 0 2.0181 -7.6897 -3.9214 C 0 0 0 0 0 0 0 0 0 3.9372 -4.0627 -2.3453 C 0 0 0 0 0 0 0 0 0 3.7922 -6.5726 -2.5139 C 0 0 1 0 0 0 0 0 0 4.1707 -5.3863 -1.6207 C 0 0 0 0 0 0 0 0 0 2.1769 -8.9963 -3.1405 C 0 0 0 0 0 0 0 0 0 3.5922 -9.2047 -2.5718 C 0 0 1 0 0 0 0 0 0 3.9866 -7.9300 -1.8263 C 0 0 1 0 0 0 0 0 0 6.2469 -12.9064 -2.1150 C 0 0 0 0 0 0 0 0 0 5.1261 -12.1916 -2.2506 C 0 0 0 0 0 0 0 0 0 5.0033 -8.0351 -0.8577 O 0 0 0 0 0 0 0 0 0 3.5609 -10.2913 -1.4770 C 0 0 1 0 0 0 0 0 0 7.1843 -12.5395 -1.0084 C 0 0 0 0 0 0 0 0 0 8.1918 -13.1870 -0.8558 O 0 0 0 0 0 0 0 0 0 4.8568 -11.0566 -1.3025 C 0 0 0 0 0 0 0 0 0 6.9237 -11.4941 -0.1734 O 0 0 0 0 0 0 0 0 0 3.6924 -8.1482 -0.3497 C 0 0 2 0 0 0 0 0 0 3.0813 -9.5391 -0.2300 C 0 0 0 0 0 0 0 0 0 5.7715 -10.7788 -0.3557 C 0 0 0 0 0 0 0 0 0 1.5059 2.3145 -3.2083 C 0 0 0 0 0 0 0 0 0 1.4377 1.2497 -5.4388 C 0 0 0 0 0 0 0 0 0 2.8798 -5.0325 -5.1008 C 0 0 0 0 0 0 0 0 0 4.5893 -9.4664 -3.7107 C 0 0 0 0 0 0 0 0 0 -0.8491 -3.4921 -4.7478 H 0 0 0 0 0 0 0 0 0 0.6802 -3.4018 -5.5863 H 0 0 0 0 0 0 0 0 0 0.0884 -2.5086 -2.7636 H 0 0 0 0 0 0 0 0 0 0.0212 -5.1141 -3.1803 H 0 0 0 0 0 0 0 0 0 0.2734 -5.6740 -4.8181 H 0 0 0 0 0 0 0 0 0 2.7483 -2.3947 -4.2289 H 0 0 0 0 0 0 0 0 0 2.4315 -1.8643 -2.5943 H 0 0 0 0 0 0 0 0 0 1.8692 -4.1004 -1.9027 H 0 0 0 0 0 0 0 0 0 1.6942 -6.4933 -2.1982 H 0 0 0 0 0 0 0 0 0 0.9924 -7.6366 -4.2541 H 0 0 0 0 0 0 0 0 0 2.6547 -7.7196 -4.7926 H 0 0 0 0 0 0 0 0 0 4.6003 -3.9768 -3.1940 H 0 0 0 0 0 0 0 0 0 4.1515 -3.2534 -1.6615 H 0 0 0 0 0 0 0 0 0 4.4755 -6.5638 -3.3500 H 0 0 0 0 0 0 0 0 0 5.2113 -5.4611 -1.3383 H 0 0 0 0 0 0 0 0 0 3.5669 -5.3865 -0.7254 H 0 0 0 0 0 0 0 0 0 1.4551 -8.9699 -2.3370 H 0 0 0 0 0 0 0 0 0 1.9238 -9.8274 -3.7836 H 0 0 0 0 0 0 0 0 0 6.4701 -13.7025 -2.7609 H 0 0 0 0 0 0 0 0 0 4.4415 -12.4227 -3.0133 H 0 0 0 0 0 0 0 0 0 2.8176 -11.0366 -1.7242 H 0 0 0 0 0 0 0 0 0 3.2995 -7.3133 0.2106 H 0 0 0 0 0 0 0 0 0 2.0061 -9.4379 -0.2456 H 0 0 0 0 0 0 0 0 0 3.3708 -10.0290 0.6880 H 0 0 0 0 0 0 0 0 0 5.6086 -9.9696 0.2930 H 0 0 0 0 0 0 0 0 0 2.2740 2.9546 -3.6164 H 0 0 0 0 0 0 0 0 0 0.5921 2.8793 -3.0932 H 0 0 0 0 0 0 0 0 0 1.8229 1.9599 -2.2380 H 0 0 0 0 0 0 0 0 0 1.7758 2.1511 -5.8585 H 0 0 0 0 0 0 0 0 0 1.2516 0.4257 -6.0642 H 0 0 0 0 0 0 0 0 0 2.7628 -4.0698 -5.5727 H 0 0 0 0 0 0 0 0 0 3.9343 -5.1939 -4.9410 H 0 0 0 0 0 0 0 0 0 2.5223 -5.7771 -5.7964 H 0 0 0 0 0 0 0 0 0 4.3206 -10.3695 -4.2384 H 0 0 0 0 0 0 0 0 0 4.5979 -8.6475 -4.4139 H 0 0 0 0 0 0 0 0 0 5.5897 -9.5690 -3.3154 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 30 1 0 0 0 0 1 31 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 1 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 1 0 0 0 9 32 1 6 0 0 0 10 13 1 0 0 0 0 10 41 1 1 0 0 0 11 14 1 0 0 0 0 11 12 1 6 0 0 0 11 42 1 1 0 0 0 12 16 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 18 1 0 0 0 0 14 15 1 1 0 0 0 14 47 1 6 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 1 0 0 0 17 22 1 0 0 0 0 17 33 1 6 0 0 0 18 21 1 0 0 0 0 18 27 1 1 0 0 0 19 23 1 0 0 0 0 19 20 2 0 0 0 0 19 52 1 0 0 0 0 20 25 1 0 0 0 0 20 53 1 0 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 22 28 1 1 0 0 0 22 54 1 6 0 0 0 23 26 1 0 0 0 0 23 24 2 0 0 0 0 25 29 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 6 0 0 0 27 55 1 1 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 M END > 267712 > K $$$$ 268242 1016 111283D 268242 93 99 1 1 V2000 -8.9725 10.4464 15.3574 O 0 0 0 0 0 0 0 0 0 -10.7525 13.3206 11.2639 O 0 0 0 0 0 0 0 0 0 -10.1826 11.1647 21.6484 N 0 0 0 0 0 0 0 0 0 -13.6113 13.1073 20.1279 O 0 0 0 0 0 0 0 0 0 -12.4081 12.4756 18.2088 O 0 0 0 0 0 0 0 0 0 -10.3889 12.6066 12.1729 C 0 0 0 0 0 0 0 0 0 -11.1493 12.5675 13.4400 C 0 0 0 0 0 0 0 0 0 -8.5111 11.7194 10.8026 C 0 0 0 0 0 0 0 0 0 -7.3805 10.9274 10.6615 C 0 0 0 0 0 0 0 0 0 -9.1807 11.7616 12.0216 C 0 0 0 0 0 0 0 0 0 -12.3365 13.2845 13.5703 C 0 0 0 0 0 0 0 0 0 -13.0587 13.2515 14.7653 C 0 0 0 0 0 0 0 0 0 -14.3251 14.0621 14.8400 C 0 0 0 0 0 0 0 0 0 -15.2050 13.6040 16.0007 C 0 0 2 0 0 0 0 0 0 -6.9114 10.1783 11.7262 C 0 0 0 0 0 0 0 0 0 -8.7105 11.0036 13.1029 C 0 0 0 0 0 0 0 0 0 -10.6799 11.8062 14.5206 C 0 0 0 0 0 0 0 0 0 -12.6010 12.4962 15.8263 C 0 0 0 0 0 0 0 0 0 -14.3512 13.5453 17.2709 C 0 0 0 0 0 0 0 0 0 -7.5707 10.2109 12.9508 C 0 0 0 0 0 0 0 0 0 -9.4194 11.0409 14.4008 C 0 0 0 0 0 0 0 0 0 -11.4096 11.7770 15.7066 C 0 0 0 0 0 0 0 0 0 -13.3422 12.4074 17.1327 C 0 0 2 0 0 0 0 0 0 -13.0899 12.0321 19.3790 C 0 0 1 0 0 0 0 0 0 -12.1709 11.1410 20.2135 C 0 0 0 0 0 0 0 0 0 -11.0356 11.9952 20.7879 C 0 0 1 0 0 0 0 0 0 -12.6557 13.9142 20.7753 C 0 0 1 0 0 0 0 0 0 -11.6566 13.1230 21.6153 C 0 0 1 0 0 0 0 0 0 -7.1046 9.4723 13.9923 O 0 0 0 0 0 0 0 0 0 -5.9230 8.6535 13.8277 C 0 0 0 0 0 0 0 0 0 -12.3188 12.5717 22.7542 O 0 0 0 0 0 0 0 0 0 -10.9625 11.0387 16.7563 O 0 0 0 0 0 0 0 0 0 -12.7953 14.0271 12.5289 O 0 0 0 0 0 0 0 0 0 -11.9188 14.8269 19.7947 C 0 0 0 0 0 0 0 0 0 -9.5477 10.1650 20.7805 C 0 0 0 0 0 0 0 0 0 -9.1115 12.0329 22.1513 C 0 0 0 0 0 0 0 0 0 -10.1157 8.8035 21.0787 C 0 0 0 0 0 0 0 0 0 -11.0887 8.6582 22.0531 C 0 0 0 0 0 0 0 0 0 -11.6109 7.4055 22.3280 C 0 0 0 0 0 0 0 0 0 -11.1593 6.2983 21.6288 C 0 0 0 0 0 0 0 0 0 -10.1862 6.4444 20.6536 C 0 0 0 0 0 0 0 0 0 -9.6667 7.6980 20.3761 C 0 0 0 0 0 0 0 0 0 -8.1676 11.2265 23.0032 C 0 0 0 0 0 0 0 0 0 -8.6369 10.5844 24.1361 C 0 0 0 0 0 0 0 0 0 -7.7686 9.8424 24.9199 C 0 0 0 0 0 0 0 0 0 -6.4323 9.7430 24.5695 C 0 0 0 0 0 0 0 0 0 -5.9641 10.3848 23.4345 C 0 0 0 0 0 0 0 0 0 -6.8328 11.1239 22.6489 C 0 0 0 0 0 0 0 0 0 -15.7617 12.2349 15.7022 C 0 0 0 0 0 0 0 0 0 -15.3305 11.5977 14.7705 O 0 0 0 0 0 0 0 0 0 -16.8539 11.6615 16.5662 C 0 0 0 0 0 0 0 0 0 -16.2749 14.5290 16.1839 O 0 0 0 0 0 0 0 0 0 -8.8673 12.2987 9.9685 H 0 0 0 0 0 0 0 0 0 -6.8643 10.8956 9.7188 H 0 0 0 0 0 0 0 0 0 -14.0692 15.1117 14.9787 H 0 0 0 0 0 0 0 0 0 -14.8761 13.9487 13.9075 H 0 0 0 0 0 0 0 0 0 -6.0332 9.5689 11.6037 H 0 0 0 0 0 0 0 0 0 -13.8207 14.4878 17.3988 H 0 0 0 0 0 0 0 0 0 -14.9911 13.3632 18.1329 H 0 0 0 0 0 0 0 0 0 -13.8717 11.4548 17.1769 H 0 0 0 0 0 0 0 0 0 -13.9375 11.4081 19.0469 H 0 0 0 0 0 0 0 0 0 -12.7361 10.6878 21.0265 H 0 0 0 0 0 0 0 0 0 -11.7530 10.3575 19.5818 H 0 0 0 0 0 0 0 0 0 -10.4358 12.4068 19.9776 H 0 0 0 0 0 0 0 0 0 -13.2040 14.5774 21.4732 H 0 0 0 0 0 0 0 0 0 -10.8653 13.7944 21.9579 H 0 0 0 0 0 0 0 0 0 -6.0940 7.9176 13.0418 H 0 0 0 0 0 0 0 0 0 -5.0761 9.2836 13.5549 H 0 0 0 0 0 0 0 0 0 -5.7031 8.1383 14.7631 H 0 0 0 0 0 0 0 0 0 -12.6950 13.3116 23.2468 H 0 0 0 0 0 0 0 0 0 -10.3971 11.4490 17.4236 H 0 0 0 0 0 0 0 0 0 -13.3889 13.6269 11.8802 H 0 0 0 0 0 0 0 0 0 -12.6186 15.5499 19.3779 H 0 0 0 0 0 0 0 0 0 -11.1220 15.3532 20.3191 H 0 0 0 0 0 0 0 0 0 -11.4915 14.2295 18.9910 H 0 0 0 0 0 0 0 0 0 -9.7384 10.4171 19.7375 H 0 0 0 0 0 0 0 0 0 -8.4735 10.1576 20.9593 H 0 0 0 0 0 0 0 0 0 -8.5667 12.4590 21.3088 H 0 0 0 0 0 0 0 0 0 -9.5416 12.8349 22.7481 H 0 0 0 0 0 0 0 0 0 -11.4393 9.5180 22.5958 H 0 0 0 0 0 0 0 0 0 -12.3663 7.2921 23.0845 H 0 0 0 0 0 0 0 0 0 -11.5642 5.3256 21.8428 H 0 0 0 0 0 0 0 0 0 -9.8352 5.5849 20.1113 H 0 0 0 0 0 0 0 0 0 -8.9142 7.8119 19.6166 H 0 0 0 0 0 0 0 0 0 -9.6743 10.6617 24.4078 H 0 0 0 0 0 0 0 0 0 -8.1319 9.3439 25.8005 H 0 0 0 0 0 0 0 0 0 -5.7583 9.1675 25.1783 H 0 0 0 0 0 0 0 0 0 -4.9267 10.3082 23.1629 H 0 0 0 0 0 0 0 0 0 -6.4704 11.6187 21.7657 H 0 0 0 0 0 0 0 0 0 -16.5014 11.5839 17.5940 H 0 0 0 0 0 0 0 0 0 -17.7254 12.3141 16.5297 H 0 0 0 0 0 0 0 0 0 -17.1253 10.6723 16.1997 H 0 0 0 0 0 0 0 0 0 -16.7783 14.5442 15.3602 H 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 6 2 0 0 0 0 3 26 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 17 2 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 8 53 1 0 0 0 0 9 15 1 0 0 0 0 9 54 1 0 0 0 0 10 16 2 0 0 0 0 11 33 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 52 1 0 0 0 0 14 49 1 1 0 0 0 14 19 1 6 0 0 0 15 20 2 0 0 0 0 15 57 1 0 0 0 0 16 21 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 29 1 0 0 0 0 22 32 1 0 0 0 0 23 60 1 1 0 0 0 24 25 1 6 0 0 0 24 61 1 1 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 28 1 1 0 0 0 26 64 1 6 0 0 0 27 28 1 0 0 0 0 27 34 1 6 0 0 0 27 65 1 1 0 0 0 28 31 1 1 0 0 0 28 66 1 6 0 0 0 29 30 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 37 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 36 43 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 38 2 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 80 1 0 0 0 0 39 40 2 0 0 0 0 39 81 1 0 0 0 0 40 41 1 0 0 0 0 40 82 1 0 0 0 0 41 42 2 0 0 0 0 41 83 1 0 0 0 0 42 84 1 0 0 0 0 43 44 2 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 44 85 1 0 0 0 0 45 46 2 0 0 0 0 45 86 1 0 0 0 0 46 47 1 0 0 0 0 46 87 1 0 0 0 0 47 48 2 0 0 0 0 47 88 1 0 0 0 0 48 89 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 90 1 0 0 0 0 51 91 1 0 0 0 0 51 92 1 0 0 0 0 52 93 1 0 0 0 0 M END > 268242 > K $$$$ 268251 1016 111283D 268251 90 92 1 1 V2000 -3.3795 -4.9733 -2.1475 N 0 0 0 0 0 0 0 0 0 -4.9693 -3.0126 -0.8251 O 0 0 0 0 0 0 0 0 0 -2.1216 -6.9640 -2.2110 N 0 0 0 0 0 0 0 0 0 -0.2410 -4.7446 -0.2925 N 0 0 0 0 0 0 0 0 0 -0.0568 -3.8975 0.1418 H 0 0 0 0 0 0 0 0 0 -0.0169 -6.8412 -0.9912 N 0 0 0 0 0 0 0 0 0 -5.2119 -1.5192 1.0822 C 0 0 1 0 0 0 0 0 0 -5.1087 -2.9674 0.5830 C 0 0 1 0 0 0 0 0 0 -3.9479 -0.7794 0.6298 C 0 0 1 0 0 0 0 0 0 -3.8031 -0.8559 -0.8979 C 0 0 1 0 0 0 0 0 0 -3.8399 -2.3305 -1.3349 C 0 0 1 0 0 0 0 0 0 -2.4651 -4.3429 -1.3686 C 0 0 0 0 0 0 0 0 0 -1.3285 -5.0574 -1.0189 C 0 0 0 0 0 0 0 0 0 -1.1857 -6.3582 -1.4515 C 0 0 0 0 0 0 0 0 0 0.5499 -5.8380 -0.2829 C 0 0 0 0 0 0 0 0 0 -3.2259 -6.2591 -2.5592 C 0 0 0 0 0 0 0 0 0 0.4896 9.8921 -2.5843 C 0 0 0 0 0 0 0 0 0 0.6274 8.4941 -1.9745 C 0 0 0 0 0 0 0 0 0 1.5561 10.0821 -3.6652 C 0 0 0 0 0 0 0 0 0 -0.8990 10.1376 -3.1882 C 0 0 0 0 0 0 0 0 0 -2.0264 10.0784 -2.1550 C 0 0 0 0 0 0 0 0 0 -3.3798 10.3813 -2.8012 C 0 0 0 0 0 0 0 0 0 -4.5388 10.3532 -1.7994 C 0 0 0 0 0 0 0 0 0 -4.7545 9.0134 -1.0871 C 0 0 0 0 0 0 0 0 0 -5.0445 7.8608 -2.0514 C 0 0 0 0 0 0 0 0 0 -5.2734 6.5496 -1.2959 C 0 0 0 0 0 0 0 0 0 -5.5096 5.3583 -2.2295 C 0 0 0 0 0 0 0 0 0 -6.7640 5.4607 -3.1043 C 0 0 0 0 0 0 0 0 0 -8.0843 5.5678 -2.3322 C 0 0 0 0 0 0 0 0 0 -8.3771 4.4101 -1.3706 C 0 0 0 0 0 0 0 0 0 -8.4582 3.0525 -2.0750 C 0 0 0 0 0 0 0 0 0 -8.8389 1.9335 -1.1491 C 0 0 0 0 0 0 0 0 0 -9.8385 1.2954 -1.3742 O 0 0 0 0 0 0 0 0 0 -8.0888 1.6146 -0.0637 N 0 0 0 0 0 0 0 0 0 -8.4459 0.5059 0.7865 C 0 0 0 0 0 0 0 0 0 -7.2421 -0.1839 1.3645 C 0 0 0 0 0 0 0 0 0 -7.0317 -0.1255 2.5525 O 0 0 0 0 0 0 0 0 0 -6.3895 -0.8723 0.5639 N 0 0 0 0 0 0 0 0 0 -3.9570 0.5494 1.1152 O 0 0 0 0 0 0 0 0 0 -6.3557 -3.7708 0.9405 C 0 0 0 0 0 0 0 0 0 -4.8044 -0.0853 -1.5373 O 0 0 0 0 0 0 0 0 0 -2.6625 -3.0619 -0.9528 N 0 0 0 0 0 0 0 0 0 -5.2313 -1.5248 2.1637 H 0 0 0 0 0 0 0 0 0 -4.2595 -3.4492 1.0489 H 0 0 0 0 0 0 0 0 0 -3.1030 -1.2799 1.0813 H 0 0 0 0 0 0 0 0 0 -2.8412 -0.4438 -1.1663 H 0 0 0 0 0 0 0 0 0 -3.9094 -2.3442 -2.4143 H 0 0 0 0 0 0 0 0 0 1.4793 -5.9067 0.2056 H 0 0 0 0 0 0 0 0 0 -3.9675 -6.7107 -3.1516 H 0 0 0 0 0 0 0 0 0 0.6650 10.6238 -1.8078 H 0 0 0 0 0 0 0 0 0 0.4211 7.7401 -2.7205 H 0 0 0 0 0 0 0 0 0 1.6316 8.3553 -1.6005 H 0 0 0 0 0 0 0 0 0 -0.0588 8.3742 -1.1494 H 0 0 0 0 0 0 0 0 0 1.4880 11.0781 -4.0786 H 0 0 0 0 0 0 0 0 0 2.5403 9.9512 -3.2389 H 0 0 0 0 0 0 0 0 0 1.4161 9.3609 -4.4580 H 0 0 0 0 0 0 0 0 0 -0.9071 11.1207 -3.6384 H 0 0 0 0 0 0 0 0 0 -1.0876 9.4054 -3.9610 H 0 0 0 0 0 0 0 0 0 -2.0579 9.0888 -1.7249 H 0 0 0 0 0 0 0 0 0 -1.8347 10.7993 -1.3728 H 0 0 0 0 0 0 0 0 0 -3.3402 11.3681 -3.2406 H 0 0 0 0 0 0 0 0 0 -3.5682 9.6705 -3.5928 H 0 0 0 0 0 0 0 0 0 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-4.7834 0.5834 H 0 0 0 0 0 0 0 0 0 -6.4962 -3.7826 2.0115 H 0 0 0 0 0 0 0 0 0 -7.2219 -3.3306 0.4690 H 0 0 0 0 0 0 0 0 0 -4.7104 -0.1493 -2.4814 H 0 0 0 0 0 0 0 0 0 -1.9938 -2.6441 -0.3903 H 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 16 2 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 13 1 0 0 0 0 4 5 1 0 0 0 0 6 15 2 0 0 0 0 6 14 1 0 0 0 0 7 38 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 1 0 0 0 7 43 1 0 0 0 0 8 40 1 6 0 0 0 8 44 1 1 0 0 0 9 39 1 0 0 0 0 9 10 1 1 0 0 0 9 45 1 0 0 0 0 10 41 1 0 0 0 0 10 11 1 6 0 0 0 10 46 1 1 0 0 0 11 42 1 6 0 0 0 11 47 1 1 0 0 0 12 42 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 26 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 27 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 29 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 30 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 30 31 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 32 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 81 1 0 0 0 0 35 36 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 84 1 0 0 0 0 39 85 1 0 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 41 89 1 0 0 0 0 42 90 1 0 0 0 0 M END > 268251 > K $$$$ 268965 1016 111283D 268965 42 42 0 1 V2000 4.0580 -3.5610 5.7359 O 0 0 0 0 0 0 0 0 0 3.7969 -6.3326 -0.0033 N 0 0 0 0 0 0 0 0 0 0.4110 -6.0947 -1.3790 O 0 0 0 0 0 0 0 0 0 6.4154 -5.3719 -2.3956 O 0 0 0 0 0 0 0 0 0 5.3378 -5.9041 1.7976 C 0 0 0 0 0 0 0 0 0 5.6197 -5.3675 3.0467 C 0 0 0 0 0 0 0 0 0 4.0666 -5.8012 1.2369 C 0 0 0 0 0 0 0 0 0 4.6272 -4.7144 3.7656 C 0 0 0 0 0 0 0 0 0 3.0805 -5.1455 1.9706 C 0 0 0 0 0 0 0 0 0 3.3542 -4.6067 3.2210 C 0 0 0 0 0 0 0 0 0 4.9250 -4.1308 5.1164 C 0 0 0 0 0 0 0 0 0 2.4587 -6.7495 -0.3640 C 0 0 0 0 0 0 0 0 0 4.8353 -6.4978 -1.0009 C 0 0 0 0 0 0 0 0 0 1.7548 -5.6968 -1.2135 C 0 0 0 0 0 0 0 0 0 5.4315 -5.1525 -1.4081 C 0 0 0 0 0 0 0 0 0 -0.3711 -5.0723 -2.3329 S 0 0 0 0 0 0 0 0 0 0.5039 -4.6046 -3.3619 O 0 0 0 0 0 0 0 0 0 -1.4915 -5.7407 -2.9158 O 0 0 0 0 0 0 0 0 0 7.0601 -3.9642 -2.8000 S 0 0 0 0 0 0 0 0 0 6.0319 -3.1118 -3.3086 O 0 0 0 0 0 0 0 0 0 7.6429 -3.3713 -1.6374 O 0 0 0 0 0 0 0 0 0 -0.9605 -3.6636 -1.3592 C 0 0 0 0 0 0 0 0 0 8.3314 -4.2202 -4.0625 C 0 0 0 0 0 0 0 0 0 6.1067 -6.3947 1.2802 H 0 0 0 0 0 0 0 0 0 6.5882 -5.4598 3.4434 H 0 0 0 0 0 0 0 0 0 2.1102 -5.0470 1.5843 H 0 0 0 0 0 0 0 0 0 2.5943 -4.1156 3.7559 H 0 0 0 0 0 0 0 0 0 5.8880 -4.2157 5.5271 H 0 0 0 0 0 0 0 0 0 2.4913 -7.6672 -0.9343 H 0 0 0 0 0 0 0 0 0 1.8588 -6.9500 0.5121 H 0 0 0 0 0 0 0 0 0 5.6224 -7.1436 -0.6419 H 0 0 0 0 0 0 0 0 0 4.4430 -6.9512 -1.9006 H 0 0 0 0 0 0 0 0 0 2.2572 -5.6327 -2.1687 H 0 0 0 0 0 0 0 0 0 1.8130 -4.7405 -0.7148 H 0 0 0 0 0 0 0 0 0 5.8681 -4.6763 -0.5415 H 0 0 0 0 0 0 0 0 0 4.6394 -4.5254 -1.7931 H 0 0 0 0 0 0 0 0 0 -0.1139 -3.1326 -0.9518 H 0 0 0 0 0 0 0 0 0 -1.5324 -3.0068 -1.9965 H 0 0 0 0 0 0 0 0 0 -1.5833 -4.0288 -0.5573 H 0 0 0 0 0 0 0 0 0 8.7601 -3.2671 -4.3319 H 0 0 0 0 0 0 0 0 0 9.0963 -4.8679 -3.6624 H 0 0 0 0 0 0 0 0 0 7.8803 -4.6789 -4.9290 H 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 16 1 0 0 0 0 3 14 1 0 0 0 0 4 19 1 0 0 0 0 4 15 1 0 0 0 0 5 7 2 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 8 2 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > 268965 > K $$$$ 268986 1016 111283D 268986 44 47 0 2 V2000 0.6847 -0.3667 0.7311 N 0 3 0 0 0 0 0 0 0 1.2653 -0.7812 -3.3658 C 0 0 0 0 0 0 0 0 0 1.6040 0.3964 -2.7433 C 0 0 0 0 0 0 0 0 0 0.7279 -1.8393 -2.6213 C 0 0 0 0 0 0 0 0 0 1.4151 0.5482 -1.3780 C 0 0 0 0 0 0 0 0 0 0.5360 -1.6951 -1.2602 C 0 0 0 0 0 0 0 0 0 1.7691 1.7935 -0.6923 C 0 0 0 0 0 0 0 0 0 2.3028 2.8685 -1.3764 C 0 0 0 0 0 0 0 0 0 2.6263 4.0284 -0.7091 C 0 0 0 0 0 0 0 0 0 0.8783 -0.4990 -0.6254 C 0 0 0 0 0 0 0 0 0 2.4143 4.1269 0.6753 C 0 0 0 0 0 0 0 0 0 1.5514 1.8827 0.6853 C 0 0 0 0 0 0 0 0 0 1.8828 3.0612 1.3702 C 0 0 0 0 0 0 0 0 0 1.0056 0.7794 1.3776 C 0 0 0 0 0 0 0 0 0 0.7756 0.8703 2.8411 C 0 0 0 0 0 0 0 0 0 -0.4486 1.3509 3.3294 C 0 0 0 0 0 0 0 0 0 1.7844 0.4824 3.7345 C 0 0 0 0 0 0 0 0 0 -0.6514 1.4352 4.6873 C 0 0 0 0 0 0 0 0 0 1.5629 0.5742 5.0894 C 0 0 0 0 0 0 0 0 0 0.3499 1.0512 5.5732 C 0 0 0 0 0 0 0 0 0 2.7439 5.2971 1.3341 N 0 0 0 0 0 0 0 0 0 0.1172 -1.4726 1.4975 C 0 0 0 0 0 0 0 0 0 -1.4056 -1.4743 1.3412 C 0 0 0 0 0 0 0 0 0 0.3891 -3.0188 -3.2490 N 0 0 0 0 0 0 0 0 0 1.4112 -0.8981 -4.4202 H 0 0 0 0 0 0 0 0 0 2.0141 1.1918 -3.3375 H 0 0 0 0 0 0 0 0 0 0.1218 -2.5115 -0.7012 H 0 0 0 0 0 0 0 0 0 2.4781 2.8249 -2.4380 H 0 0 0 0 0 0 0 0 0 3.0402 4.8602 -1.2397 H 0 0 0 0 0 0 0 0 0 1.7236 3.1454 2.4307 H 0 0 0 0 0 0 0 0 0 -1.2152 1.6493 2.6480 H 0 0 0 0 0 0 0 0 0 2.7167 0.1195 3.3615 H 0 0 0 0 0 0 0 0 0 -1.5831 1.7976 5.0669 H 0 0 0 0 0 0 0 0 0 2.3265 0.2770 5.7765 H 0 0 0 0 0 0 0 0 0 0.1848 1.1175 6.6243 H 0 0 0 0 0 0 0 0 0 3.1195 6.0497 0.8479 H 0 0 0 0 0 0 0 0 0 2.6018 5.3769 2.2919 H 0 0 0 0 0 0 0 0 0 0.5201 -2.4141 1.1359 H 0 0 0 0 0 0 0 0 0 0.3695 -1.3743 2.5486 H 0 0 0 0 0 0 0 0 0 -1.6633 -1.5846 0.2915 H 0 0 0 0 0 0 0 0 0 -1.8292 -2.3006 1.9047 H 0 0 0 0 0 0 0 0 0 -1.8090 -0.5377 1.7140 H 0 0 0 0 0 0 0 0 0 0.5212 -3.1231 -4.2064 H 0 0 0 0 0 0 0 0 0 0.0158 -3.7579 -2.7409 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 14 1 0 0 0 0 1 10 2 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 4 24 1 0 0 0 0 4 6 2 0 0 0 0 5 10 1 0 0 0 0 5 7 2 0 0 0 0 6 10 1 0 0 0 0 6 27 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 11 21 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 13 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 1 1 M END > 268986 > K $$$$ 269142 1016 111283D 269142 42 45 1 1 V2000 -1.5524 0.5113 -0.6156 C 0 0 2 0 0 0 0 0 0 -0.6715 1.5459 -1.3554 C 0 0 1 0 0 0 0 0 0 -2.2189 0.0411 -1.3255 H 0 0 0 0 0 0 0 0 0 -1.5078 2.8167 -1.6899 C 0 0 1 0 0 0 0 0 0 -2.3398 1.0864 0.4130 O 0 0 0 0 0 0 0 0 0 -1.3370 4.0702 0.5356 O 0 0 0 0 0 0 0 0 0 -2.3856 4.7895 -0.0798 C 0 0 0 0 0 0 0 0 0 -3.6959 2.5618 0.8857 H 0 0 0 0 0 0 0 0 0 -2.8671 2.5155 -2.3532 C 0 0 1 0 0 0 0 0 0 -0.7960 -0.6007 0.0626 C 0 0 0 0 0 0 0 0 0 0.5237 -0.5471 0.3035 C 0 0 0 0 0 0 0 0 0 1.3466 0.6605 -0.0572 C 0 0 0 0 0 0 0 0 0 0.4925 1.8819 -0.4016 C 0 0 0 0 0 0 0 0 0 -2.0993 3.3241 -0.3818 C 0 0 1 0 0 0 0 0 0 -3.0746 2.2487 0.0601 C 0 0 1 0 0 0 0 0 0 -3.8638 2.1255 -1.2466 C 0 0 2 0 0 0 0 0 0 1.2215 -1.7127 0.9455 C 0 0 0 0 0 0 0 0 0 0.9715 1.6618 -3.1346 O 0 0 0 0 0 0 0 0 0 -0.0998 0.8934 -2.6297 C 0 0 0 0 0 0 0 0 0 -0.7307 3.8748 -2.4892 C 0 0 0 0 0 0 0 0 0 -3.3717 3.6860 -2.9641 O 0 0 0 0 0 0 0 0 0 -4.4093 0.8381 -1.4528 O 0 0 0 0 0 0 0 0 0 -3.1706 5.0327 0.6209 H 0 0 0 0 0 0 0 0 0 -2.0131 5.5568 -0.7414 H 0 0 0 0 0 0 0 0 0 -2.7796 1.7268 -3.0865 H 0 0 0 0 0 0 0 0 0 -1.3372 -1.4503 0.3598 H 0 0 0 0 0 0 0 0 0 1.9985 0.9141 0.7665 H 0 0 0 0 0 0 0 0 0 1.9632 0.4094 -0.9081 H 0 0 0 0 0 0 0 0 0 1.1385 2.6317 -0.8334 H 0 0 0 0 0 0 0 0 0 0.0964 2.2686 0.5262 H 0 0 0 0 0 0 0 0 0 -4.6560 2.8621 -1.2260 H 0 0 0 0 0 0 0 0 0 0.5688 -2.5709 1.0154 H 0 0 0 0 0 0 0 0 0 2.0881 -1.9802 0.3589 H 0 0 0 0 0 0 0 0 0 1.5399 -1.4313 1.9388 H 0 0 0 0 0 0 0 0 0 1.4316 1.1626 -3.8026 H 0 0 0 0 0 0 0 0 0 0.2608 -0.1023 -2.4066 H 0 0 0 0 0 0 0 0 0 -0.8639 0.7995 -3.3875 H 0 0 0 0 0 0 0 0 0 -1.3495 4.7358 -2.6937 H 0 0 0 0 0 0 0 0 0 0.1355 4.2054 -1.9365 H 0 0 0 0 0 0 0 0 0 -0.4128 3.4664 -3.4369 H 0 0 0 0 0 0 0 0 0 -4.0852 3.4576 -3.5534 H 0 0 0 0 0 0 0 0 0 -5.0313 0.8675 -2.1728 H 0 0 0 0 0 0 0 0 0 1 5 1 1 0 0 0 1 2 1 6 0 0 0 1 10 1 0 0 0 0 1 3 1 0 0 0 0 2 19 1 6 0 0 0 2 4 1 1 0 0 0 2 13 1 0 0 0 0 4 14 1 1 0 0 0 4 9 1 0 0 0 0 4 20 1 6 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 15 1 0 0 0 0 9 21 1 6 0 0 0 9 16 1 1 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 6 0 0 0 16 22 1 1 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END > 269142 > K $$$$ 269146 1016 111283D 269146 152159 1 1 V2000 24.7275 15.0528 -10.2873 O 0 0 0 0 0 0 0 0 0 24.2390 12.8386 -10.5099 O 0 0 0 0 0 0 0 0 0 22.4322 12.9350 -6.6757 O 0 0 0 0 0 0 0 0 0 21.3483 14.8937 -7.1667 O 0 0 0 0 0 0 0 0 0 11.5607 16.9776 -14.5236 O 0 0 0 0 0 0 0 0 0 12.6360 16.7635 -12.5652 O 0 0 0 0 0 0 0 0 0 14.4477 16.1492 -9.8442 O 0 0 0 0 0 0 0 0 0 13.0791 14.4815 -9.1812 O 0 0 0 0 0 0 0 0 0 13.0594 14.6059 -5.4642 O 0 0 0 0 0 0 0 0 0 14.1631 11.1067 -5.2987 C 0 0 2 0 0 0 0 0 0 13.0880 10.0183 -3.7982 H 0 0 0 0 0 0 0 0 0 10.8643 12.2099 -8.0630 O 0 0 0 0 0 0 0 0 0 14.4416 10.9076 -6.3225 H 0 0 0 0 0 0 0 0 0 13.6353 9.7875 -4.7021 C 0 0 1 0 0 0 0 0 0 12.1110 11.9146 -6.1769 O 0 0 0 0 0 0 0 0 0 12.7626 8.9859 -5.6406 C 0 0 0 0 0 0 0 0 0 12.8697 9.1088 -6.8394 O 0 0 0 0 0 0 0 0 0 11.7589 8.0109 -5.0809 C 0 0 2 0 0 0 0 0 0 12.1277 7.0386 -5.3723 H 0 0 0 0 0 0 0 0 0 10.3899 8.1147 -6.7436 H 0 0 0 0 0 0 0 0 0 10.3449 8.1524 -5.6627 C 0 0 2 0 0 0 0 0 0 23.0675 11.7421 -7.1032 C 0 0 1 0 0 0 0 0 0 24.1220 11.9849 -8.1980 C 0 0 1 0 0 0 0 0 0 23.4321 12.7267 -9.3490 C 0 0 1 0 0 0 0 0 0 22.8361 14.0301 -8.8106 C 0 0 0 0 0 0 0 0 0 21.8315 13.6831 -7.7165 C 0 0 1 0 0 0 0 0 0 19.3739 13.8519 -6.2950 C 0 0 0 0 0 0 0 0 0 20.0096 14.9160 -6.9159 C 0 0 0 0 0 0 0 0 0 18.0024 13.8785 -6.0838 C 0 0 0 0 0 0 0 0 0 17.4291 12.7779 -5.4628 C 0 0 0 0 0 0 0 0 0 16.0602 12.7303 -5.2578 C 0 0 0 0 0 0 0 0 0 15.4463 11.5356 -4.5788 C 0 0 0 0 0 0 0 0 0 19.2621 16.0246 -7.2846 C 0 0 0 0 0 0 0 0 0 17.2284 14.9716 -6.4827 C 0 0 0 0 0 0 0 0 0 15.2655 13.7885 -5.6790 C 0 0 0 0 0 0 0 0 0 13.1495 12.2668 -5.2718 C 0 0 2 0 0 0 0 0 0 17.8847 16.0550 -7.0830 C 0 0 0 0 0 0 0 0 0 15.8481 14.9181 -6.2605 C 0 0 0 0 0 0 0 0 0 13.7793 13.6356 -5.4719 C 0 0 0 0 0 0 0 0 0 25.6794 16.0959 -10.2196 C 0 0 1 0 0 0 0 0 0 26.4934 16.1536 -11.5222 C 0 0 1 0 0 0 0 0 0 27.1732 14.7903 -11.6977 C 0 0 1 0 0 0 0 0 0 26.0934 13.7076 -11.7377 C 0 0 0 0 0 0 0 0 0 25.2971 13.7688 -10.4354 C 0 0 1 0 0 0 0 0 0 12.0408 12.6280 -7.3994 C 0 0 1 0 0 0 0 0 0 13.2287 12.3155 -8.3108 C 0 0 0 0 0 0 0 0 0 13.0572 13.1254 -9.5897 C 0 0 1 0 0 0 0 0 0 10.6075 12.9598 -9.2385 C 0 0 1 0 0 0 0 0 0 11.7323 12.7448 -10.2606 C 0 0 1 0 0 0 0 0 0 13.3060 15.4059 -10.2265 C 0 0 1 0 0 0 0 0 0 12.0988 16.3333 -10.3133 C 0 0 0 0 0 0 0 0 0 12.4172 17.4240 -11.3322 C 0 0 1 0 0 0 0 0 0 14.8041 17.1485 -10.7837 C 0 0 1 0 0 0 0 0 0 13.6767 18.1828 -10.8989 C 0 0 1 0 0 0 0 0 0 12.5352 17.5918 -13.7046 C 0 0 1 0 0 0 0 0 0 13.8832 17.5812 -14.4174 C 0 0 0 0 0 0 0 0 0 13.7228 18.3469 -15.7297 C 0 0 1 0 0 0 0 0 0 11.3519 17.6536 -15.7509 C 0 0 1 0 0 0 0 0 0 12.6369 17.6770 -16.5840 C 0 0 1 0 0 0 0 0 0 25.6684 16.4078 -12.6432 O 0 0 0 0 0 0 0 0 0 24.8942 17.3740 -9.9443 C 0 0 0 0 0 0 0 0 0 27.9720 14.7816 -12.8628 O 0 0 0 0 0 0 0 0 0 25.2264 12.7364 -7.7289 O 0 0 0 0 0 0 0 0 0 23.6853 11.0915 -5.8689 C 0 0 0 0 0 0 0 0 0 19.9650 17.1973 -7.9114 C 0 0 0 0 0 0 0 0 0 12.3745 18.3545 -17.8028 O 0 0 0 0 0 0 0 0 0 13.3806 18.2145 -18.7861 C 0 0 0 0 0 0 0 0 0 10.2434 16.9093 -16.4886 C 0 0 0 0 0 0 0 0 0 13.3642 19.6816 -15.4326 O 0 0 0 0 0 0 0 0 0 17.3106 17.2090 -7.5240 O 0 0 0 0 0 0 0 0 0 13.9754 19.2023 -11.8342 O 0 0 0 0 0 0 0 0 0 16.1084 17.7892 -10.3185 C 0 0 0 0 0 0 0 0 0 15.0815 15.9826 -6.6189 O 0 0 0 0 0 0 0 0 0 11.5687 13.5232 -11.4291 O 0 0 0 0 0 0 0 0 0 9.2572 12.4893 -9.7685 C 0 0 0 0 0 0 0 0 0 14.7815 9.0141 -4.3766 O 0 0 0 0 0 0 0 0 0 14.5523 7.8854 -3.5534 C 0 0 0 0 0 0 0 0 0 11.7212 8.0567 -3.6650 O 0 0 0 0 0 0 0 0 0 9.7476 9.3504 -5.2127 O 0 0 0 0 0 0 0 0 0 9.4762 7.0010 -5.1532 C 0 0 0 0 0 0 0 0 0 22.3180 11.0655 -7.4910 H 0 0 0 0 0 0 0 0 0 24.4714 11.0352 -8.5790 H 0 0 0 0 0 0 0 0 0 22.6033 12.1128 -9.6734 H 0 0 0 0 0 0 0 0 0 23.6071 14.6518 -8.3813 H 0 0 0 0 0 0 0 0 0 22.3390 14.5673 -9.6047 H 0 0 0 0 0 0 0 0 0 21.0372 13.1101 -8.1800 H 0 0 0 0 0 0 0 0 0 19.9437 13.0250 -5.9861 H 0 0 0 0 0 0 0 0 0 18.0312 11.9758 -5.1469 H 0 0 0 0 0 0 0 0 0 15.2269 11.7837 -3.5495 H 0 0 0 0 0 0 0 0 0 16.1575 10.7224 -4.5905 H 0 0 0 0 0 0 0 0 0 12.7112 12.3110 -4.2849 H 0 0 0 0 0 0 0 0 0 26.3488 15.9338 -9.3852 H 0 0 0 0 0 0 0 0 0 27.2602 16.9121 -11.4509 H 0 0 0 0 0 0 0 0 0 27.8188 14.6109 -10.8481 H 0 0 0 0 0 0 0 0 0 25.4292 13.8902 -12.5698 H 0 0 0 0 0 0 0 0 0 26.5427 12.7319 -11.8458 H 0 0 0 0 0 0 0 0 0 25.9518 13.5376 -9.6063 H 0 0 0 0 0 0 0 0 0 11.9745 13.6939 -7.2132 H 0 0 0 0 0 0 0 0 0 14.1597 12.6039 -7.8508 H 0 0 0 0 0 0 0 0 0 13.2436 11.2569 -8.5235 H 0 0 0 0 0 0 0 0 0 13.8814 12.9050 -10.2546 H 0 0 0 0 0 0 0 0 0 10.5345 14.0148 -9.0091 H 0 0 0 0 0 0 0 0 0 11.7724 11.6955 -10.5189 H 0 0 0 0 0 0 0 0 0 13.4618 14.9356 -11.1914 H 0 0 0 0 0 0 0 0 0 11.2312 15.7762 -10.6320 H 0 0 0 0 0 0 0 0 0 11.9137 16.7673 -9.3419 H 0 0 0 0 0 0 0 0 0 11.5764 18.1020 -11.3865 H 0 0 0 0 0 0 0 0 0 14.9789 16.7025 -11.7535 H 0 0 0 0 0 0 0 0 0 13.4974 18.6163 -9.9240 H 0 0 0 0 0 0 0 0 0 12.2533 18.6133 -13.4742 H 0 0 0 0 0 0 0 0 0 14.6307 18.0539 -13.7991 H 0 0 0 0 0 0 0 0 0 14.1723 16.5589 -14.6108 H 0 0 0 0 0 0 0 0 0 14.6583 18.3284 -16.2702 H 0 0 0 0 0 0 0 0 0 11.0274 18.6711 -15.5780 H 0 0 0 0 0 0 0 0 0 12.9208 16.6513 -16.7757 H 0 0 0 0 0 0 0 0 0 25.3416 17.2990 -12.6094 H 0 0 0 0 0 0 0 0 0 24.3988 17.2812 -8.9888 H 0 0 0 0 0 0 0 0 0 25.5579 18.2256 -9.9215 H 0 0 0 0 0 0 0 0 0 24.1445 17.5145 -10.7087 H 0 0 0 0 0 0 0 0 0 28.3782 13.9278 -12.9711 H 0 0 0 0 0 0 0 0 0 25.7414 12.2152 -7.1242 H 0 0 0 0 0 0 0 0 0 22.9102 10.8869 -5.1455 H 0 0 0 0 0 0 0 0 0 24.1724 10.1665 -6.1413 H 0 0 0 0 0 0 0 0 0 24.4044 11.7624 -5.4225 H 0 0 0 0 0 0 0 0 0 19.9718 17.0758 -8.9845 H 0 0 0 0 0 0 0 0 0 19.4599 18.1188 -7.6607 H 0 0 0 0 0 0 0 0 0 20.9840 17.2566 -7.5564 H 0 0 0 0 0 0 0 0 0 14.2878 18.7148 -18.4797 H 0 0 0 0 0 0 0 0 0 13.5876 17.1723 -18.9849 H 0 0 0 0 0 0 0 0 0 13.0320 18.6748 -19.6991 H 0 0 0 0 0 0 0 0 0 9.3485 16.9159 -15.8841 H 0 0 0 0 0 0 0 0 0 10.0402 17.3898 -17.4346 H 0 0 0 0 0 0 0 0 0 10.5440 15.8861 -16.6606 H 0 0 0 0 0 0 0 0 0 14.0820 20.1180 -14.9845 H 0 0 0 0 0 0 0 0 0 16.3817 17.2502 -7.3609 H 0 0 0 0 0 0 0 0 0 14.6157 19.7955 -11.4541 H 0 0 0 0 0 0 0 0 0 16.8564 17.0209 -10.1899 H 0 0 0 0 0 0 0 0 0 16.4574 18.4999 -11.0532 H 0 0 0 0 0 0 0 0 0 15.9538 18.2939 -9.3767 H 0 0 0 0 0 0 0 0 0 14.1736 15.7536 -6.7809 H 0 0 0 0 0 0 0 0 0 10.8334 13.1996 -11.9388 H 0 0 0 0 0 0 0 0 0 8.5106 12.6309 -9.0011 H 0 0 0 0 0 0 0 0 0 8.9766 13.0583 -10.6424 H 0 0 0 0 0 0 0 0 0 9.3100 11.4398 -10.0182 H 0 0 0 0 0 0 0 0 0 15.5067 7.5146 -3.2112 H 0 0 0 0 0 0 0 0 0 13.9480 8.1351 -2.6926 H 0 0 0 0 0 0 0 0 0 14.0722 7.0965 -4.1135 H 0 0 0 0 0 0 0 0 0 11.1364 8.7623 -3.3941 H 0 0 0 0 0 0 0 0 0 9.3170 9.7881 -5.9437 H 0 0 0 0 0 0 0 0 0 8.4879 7.0603 -5.5845 H 0 0 0 0 0 0 0 0 0 9.9215 6.0535 -5.4203 H 0 0 0 0 0 0 0 0 0 9.3896 7.0584 -4.0773 H 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1 44 1 0 0 0 0 2 24 1 0 0 0 0 2 44 1 0 0 0 0 3 22 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 55 1 0 0 0 0 5 58 1 0 0 0 0 6 52 1 0 0 0 0 6 55 1 0 0 0 0 7 50 1 0 0 0 0 7 53 1 0 0 0 0 8 47 1 0 0 0 0 8 50 1 0 0 0 0 9 39 2 0 0 0 0 10 36 1 6 0 0 0 10 14 1 0 0 0 0 10 32 1 1 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 45 1 0 0 0 0 12 48 1 0 0 0 0 14 76 1 1 0 0 0 14 16 1 0 0 0 0 15 36 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 78 1 6 0 0 0 18 21 1 0 0 0 0 18 19 1 1 0 0 0 20 21 1 0 0 0 0 21 79 1 6 0 0 0 21 80 1 1 0 0 0 22 23 1 1 0 0 0 22 64 1 0 0 0 0 22 81 1 6 0 0 0 23 63 1 0 0 0 0 23 24 1 6 0 0 0 23 82 1 1 0 0 0 24 25 1 6 0 0 0 24 83 1 0 0 0 0 25 26 1 0 0 0 0 25 84 1 0 0 0 0 25 85 1 0 0 0 0 26 86 1 6 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 87 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 88 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 32 89 1 0 0 0 0 32 90 1 0 0 0 0 33 65 1 0 0 0 0 33 37 2 0 0 0 0 34 38 2 0 0 0 0 34 37 1 0 0 0 0 35 39 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 6 0 0 0 36 91 1 1 0 0 0 37 70 1 0 0 0 0 38 73 1 0 0 0 0 40 41 1 1 0 0 0 40 61 1 0 0 0 0 40 92 1 6 0 0 0 41 60 1 1 0 0 0 41 42 1 0 0 0 0 41 93 1 6 0 0 0 42 62 1 1 0 0 0 42 43 1 0 0 0 0 42 94 1 6 0 0 0 43 44 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 44 97 1 6 0 0 0 45 46 1 6 0 0 0 45 98 1 1 0 0 0 46 47 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 47 49 1 1 0 0 0 47101 1 6 0 0 0 48 49 1 6 0 0 0 48 75 1 1 0 0 0 48102 1 0 0 0 0 49 74 1 6 0 0 0 49103 1 0 0 0 0 50 51 1 0 0 0 0 50104 1 6 0 0 0 51 52 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 52 54 1 6 0 0 0 52107 1 0 0 0 0 53 54 1 0 0 0 0 53 72 1 0 0 0 0 53108 1 6 0 0 0 54 71 1 6 0 0 0 54109 1 1 0 0 0 55 56 1 6 0 0 0 55110 1 0 0 0 0 56 57 1 0 0 0 0 56111 1 0 0 0 0 56112 1 0 0 0 0 57 69 1 6 0 0 0 57 59 1 1 0 0 0 57113 1 0 0 0 0 58 59 1 6 0 0 0 58 68 1 1 0 0 0 58114 1 0 0 0 0 59 66 1 0 0 0 0 59115 1 1 0 0 0 60116 1 0 0 0 0 61117 1 0 0 0 0 61118 1 0 0 0 0 61119 1 0 0 0 0 62120 1 0 0 0 0 63121 1 0 0 0 0 64122 1 0 0 0 0 64123 1 0 0 0 0 64124 1 0 0 0 0 65125 1 0 0 0 0 65126 1 0 0 0 0 65127 1 0 0 0 0 66 67 1 0 0 0 0 67128 1 0 0 0 0 67129 1 0 0 0 0 67130 1 0 0 0 0 68131 1 0 0 0 0 68132 1 0 0 0 0 68133 1 0 0 0 0 69134 1 0 0 0 0 70135 1 0 0 0 0 71136 1 0 0 0 0 72137 1 0 0 0 0 72138 1 0 0 0 0 72139 1 0 0 0 0 73140 1 0 0 0 0 74141 1 0 0 0 0 75142 1 0 0 0 0 75143 1 0 0 0 0 75144 1 0 0 0 0 76 77 1 0 0 0 0 77145 1 0 0 0 0 77146 1 0 0 0 0 77147 1 0 0 0 0 78148 1 0 0 0 0 79149 1 0 0 0 0 80150 1 0 0 0 0 80151 1 0 0 0 0 80152 1 0 0 0 0 M END > 269146 > K $$$$ 269148 1016 111283D 269148 70 75 1 1 V2000 18.6014 -2.3070 -4.6987 C 0 0 1 0 0 0 0 0 0 18.1492 0.1359 -5.1864 C 0 0 1 0 0 0 0 0 0 18.7017 0.4528 -3.9241 O 0 0 0 0 0 0 0 0 0 18.8321 -0.1957 -2.0048 H 0 0 0 0 0 0 0 0 0 17.0063 -0.6249 -2.7363 O 0 0 0 0 0 0 0 0 0 11.6287 -0.2591 -5.2437 O 0 0 0 0 0 0 0 0 0 15.0752 -1.1257 -1.3188 O 0 0 0 0 0 0 0 0 0 19.0530 -1.8607 -3.3034 C 0 0 1 0 0 0 0 0 0 18.4011 -0.5181 -2.9421 C 0 0 1 0 0 0 0 0 0 18.7599 -1.1684 -5.7213 C 0 0 2 0 0 0 0 0 0 16.6594 -0.0136 -5.0361 C 0 0 0 0 0 0 0 0 0 16.1764 -0.3869 -3.7895 C 0 0 0 0 0 0 0 0 0 14.8077 -0.5261 -3.5937 C 0 0 0 0 0 0 0 0 0 14.3107 -0.9286 -2.2328 C 0 0 0 0 0 0 0 0 0 12.8423 -1.0939 -1.9835 C 0 0 0 0 0 0 0 0 0 12.3929 -1.4697 -0.7260 C 0 0 0 0 0 0 0 0 0 11.0341 -1.6232 -0.4837 C 0 0 0 0 0 0 0 0 0 10.6049 -2.0211 0.9048 C 0 0 0 0 0 0 0 0 0 9.1492 -1.6524 1.2024 C 0 0 1 0 0 0 0 0 0 15.7699 0.2023 -6.0801 C 0 0 0 0 0 0 0 0 0 13.9095 -0.2980 -4.6342 C 0 0 0 0 0 0 0 0 0 11.9320 -0.8722 -3.0070 C 0 0 0 0 0 0 0 0 0 10.1136 -1.4130 -1.5103 C 0 0 0 0 0 0 0 0 0 8.2802 -2.2391 0.0920 C 0 0 0 0 0 0 0 0 0 14.4026 0.0707 -5.8873 C 0 0 0 0 0 0 0 0 0 12.4318 -0.4598 -4.3659 C 0 0 0 0 0 0 0 0 0 10.5701 -1.0311 -2.7729 C 0 0 0 0 0 0 0 0 0 8.6320 -1.5926 -1.2508 C 0 0 2 0 0 0 0 0 0 19.3034 -3.5425 -5.0702 N 0 0 0 0 0 0 0 0 0 18.4946 -4.6162 -5.6395 C 0 0 0 0 0 0 0 0 0 20.6913 -3.4850 -5.5202 C 0 0 0 0 0 0 0 0 0 18.1448 -1.4836 -6.9545 O 0 0 0 0 0 0 0 0 0 18.5370 1.3140 -6.0816 C 0 0 0 0 0 0 0 0 0 18.7551 -2.8853 -2.3732 O 0 0 0 0 0 0 0 0 0 13.6625 0.3296 -6.9987 O 0 0 0 0 0 0 0 0 0 9.7425 -0.7975 -3.8270 O 0 0 0 0 0 0 0 0 0 7.9027 -2.2534 -2.2733 O 0 0 0 0 0 0 0 0 0 8.4060 -3.4959 -2.7323 C 0 0 0 0 0 0 0 0 0 8.7122 -2.1894 2.5669 C 0 0 0 0 0 0 0 0 0 8.9875 -0.2525 1.1698 O 0 0 0 0 0 0 0 0 0 17.5467 -2.5256 -4.6117 H 0 0 0 0 0 0 0 0 0 20.1211 -1.7017 -3.3253 H 0 0 0 0 0 0 0 0 0 19.8151 -0.9904 -5.8730 H 0 0 0 0 0 0 0 0 0 13.0879 -1.6371 0.0454 H 0 0 0 0 0 0 0 0 0 10.7311 -3.0905 0.9999 H 0 0 0 0 0 0 0 0 0 11.2391 -1.5351 1.6323 H 0 0 0 0 0 0 0 0 0 16.1207 0.4698 -7.0324 H 0 0 0 0 0 0 0 0 0 8.4335 -3.3066 0.0477 H 0 0 0 0 0 0 0 0 0 7.2373 -2.0482 0.2997 H 0 0 0 0 0 0 0 0 0 8.2403 -0.5859 -1.1964 H 0 0 0 0 0 0 0 0 0 17.6095 -4.7700 -5.0385 H 0 0 0 0 0 0 0 0 0 18.1968 -4.3729 -6.6487 H 0 0 0 0 0 0 0 0 0 19.0546 -5.5404 -5.6515 H 0 0 0 0 0 0 0 0 0 21.1454 -4.4620 -5.4347 H 0 0 0 0 0 0 0 0 0 20.7342 -3.1705 -6.5531 H 0 0 0 0 0 0 0 0 0 21.2628 -2.7954 -4.9170 H 0 0 0 0 0 0 0 0 0 18.5789 -2.2405 -7.3342 H 0 0 0 0 0 0 0 0 0 18.0714 2.2164 -5.7131 H 0 0 0 0 0 0 0 0 0 19.6091 1.4429 -6.0578 H 0 0 0 0 0 0 0 0 0 18.2298 1.1398 -7.1022 H 0 0 0 0 0 0 0 0 0 18.9785 -2.6006 -1.4936 H 0 0 0 0 0 0 0 0 0 12.7279 0.2672 -6.8530 H 0 0 0 0 0 0 0 0 0 8.8231 -0.8695 -3.6003 H 0 0 0 0 0 0 0 0 0 9.3228 -3.3576 -3.2871 H 0 0 0 0 0 0 0 0 0 8.5786 -4.1869 -1.9211 H 0 0 0 0 0 0 0 0 0 7.6761 -3.9311 -3.3994 H 0 0 0 0 0 0 0 0 0 9.3454 -1.7816 3.3412 H 0 0 0 0 0 0 0 0 0 7.6912 -1.8941 2.7600 H 0 0 0 0 0 0 0 0 0 8.7799 -3.2676 2.5858 H 0 0 0 0 0 0 0 0 0 9.5040 0.1530 1.8595 H 0 0 0 0 0 0 0 0 0 1 29 1 6 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 1 41 1 1 0 0 0 2 3 1 0 0 0 0 2 10 1 6 0 0 0 2 11 1 1 0 0 0 2 33 1 0 0 0 0 3 9 1 0 0 0 0 4 9 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 26 2 0 0 0 0 7 14 2 0 0 0 0 8 34 1 0 0 0 0 8 9 1 1 0 0 0 8 42 1 6 0 0 0 10 32 1 0 0 0 0 10 43 1 6 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 21 2 0 0 0 0 14 15 1 0 0 0 0 15 22 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 40 1 1 0 0 0 19 24 1 6 0 0 0 19 39 1 0 0 0 0 20 25 2 0 0 0 0 20 47 1 0 0 0 0 21 26 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 35 1 0 0 0 0 27 36 1 0 0 0 0 28 37 1 6 0 0 0 28 50 1 1 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 37 38 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 M END > 269148 > K $$$$ 273829 1016 111283D 273829 67 70 0 1 V2000 0.5912 -4.5925 -1.5027 N 0 0 0 0 0 0 0 0 0 -1.2126 -7.6604 0.2810 N 0 0 0 0 0 0 0 0 0 -1.0657 -7.8217 -2.0568 C 0 0 0 0 0 0 0 0 0 -0.3229 -8.0060 -3.2146 C 0 0 0 0 0 0 0 0 0 -0.4454 -7.8457 -0.8153 C 0 0 0 0 0 0 0 0 0 1.0460 -8.2098 -3.1132 C 0 0 0 0 0 0 0 0 0 0.9291 -8.0551 -0.6983 C 0 0 0 0 0 0 0 0 0 1.6638 -8.2328 -1.8699 C 0 0 0 0 0 0 0 0 0 1.5023 -8.0773 0.5766 C 0 0 0 0 0 0 0 0 0 0.6812 -7.8547 1.6793 C 0 0 0 0 0 0 0 0 0 -0.6788 -7.6332 1.5178 C 0 0 0 0 0 0 0 0 0 2.8366 -3.0337 -1.0760 C 0 0 0 0 0 0 0 0 0 2.6158 -3.6284 -2.3222 C 0 0 0 0 0 0 0 0 0 3.4915 -3.4933 -3.3990 C 0 0 0 0 0 0 0 0 0 3.2216 -4.0919 -4.6227 C 0 0 0 0 0 0 0 0 0 1.9001 -3.2483 -0.0667 C 0 0 0 0 0 0 0 0 0 2.0684 -4.8436 -4.7989 C 0 0 0 0 0 0 0 0 0 1.4675 -4.3984 -2.5104 C 0 0 0 0 0 0 0 0 0 0.7835 -4.0413 -0.2890 C 0 0 0 0 0 0 0 0 0 1.1896 -4.9880 -3.7352 C 0 0 0 0 0 0 0 0 0 -0.9236 -7.9869 -4.4337 N 0 0 0 0 0 0 0 0 0 1.8040 -5.4303 -5.9957 N 0 0 0 0 0 0 0 0 0 3.9482 -2.2549 -0.8516 N 0 0 0 0 0 0 0 0 0 2.8441 -8.3123 0.7587 N 0 0 0 0 0 0 0 0 0 3.5252 -8.3173 2.0278 C 0 0 0 0 0 0 0 0 0 4.6818 -6.1833 1.3500 C 0 0 0 0 0 0 0 0 0 5.7211 -4.0505 0.5467 C 0 0 0 0 0 0 0 0 0 4.4554 -1.8340 0.4311 C 0 0 0 0 0 0 0 0 0 4.8765 -4.6976 1.6468 C 0 0 0 0 0 0 0 0 0 5.8021 -2.5250 0.6580 C 0 0 0 0 0 0 0 0 0 3.8376 -6.8737 2.4242 C 0 0 0 0 0 0 0 0 0 -1.5686 -7.3647 2.6940 C 0 0 0 0 0 0 0 0 0 -0.2138 -4.2946 0.8005 C 0 0 0 0 0 0 0 0 0 -2.1013 -7.6631 -2.1168 H 0 0 0 0 0 0 0 0 0 1.6193 -8.3471 -3.9822 H 0 0 0 0 0 0 0 0 0 2.6992 -8.3877 -1.8481 H 0 0 0 0 0 0 0 0 0 1.0776 -7.8498 2.6489 H 0 0 0 0 0 0 0 0 0 4.3762 -2.9386 -3.3167 H 0 0 0 0 0 0 0 0 0 3.8948 -3.9743 -5.4199 H 0 0 0 0 0 0 0 0 0 2.0155 -2.8161 0.8790 H 0 0 0 0 0 0 0 0 0 0.3095 -5.5451 -3.8545 H 0 0 0 0 0 0 0 0 0 -0.4023 -8.1224 -5.2411 H 0 0 0 0 0 0 0 0 0 -1.8799 -7.8380 -4.5081 H 0 0 0 0 0 0 0 0 0 2.4182 -5.3295 -6.7403 H 0 0 0 0 0 0 0 0 0 0.9968 -5.9558 -6.1162 H 0 0 0 0 0 0 0 0 0 4.4641 -1.9481 -1.6110 H 0 0 0 0 0 0 0 0 0 3.4045 -8.4881 -0.0103 H 0 0 0 0 0 0 0 0 0 2.9470 -8.8108 2.7956 H 0 0 0 0 0 0 0 0 0 4.4564 -8.8585 1.9283 H 0 0 0 0 0 0 0 0 0 4.1782 -6.2653 0.3967 H 0 0 0 0 0 0 0 0 0 5.6428 -6.6730 1.2800 H 0 0 0 0 0 0 0 0 0 6.7218 -4.4551 0.5999 H 0 0 0 0 0 0 0 0 0 5.3087 -4.3057 -0.4196 H 0 0 0 0 0 0 0 0 0 4.6118 -0.7642 0.4136 H 0 0 0 0 0 0 0 0 0 3.8099 -2.0520 1.2653 H 0 0 0 0 0 0 0 0 0 3.9022 -4.2342 1.6864 H 0 0 0 0 0 0 0 0 0 5.3670 -4.5706 2.6013 H 0 0 0 0 0 0 0 0 0 6.1927 -2.2494 1.6269 H 0 0 0 0 0 0 0 0 0 6.4878 -2.1736 -0.0998 H 0 0 0 0 0 0 0 0 0 2.9089 -6.3357 2.5473 H 0 0 0 0 0 0 0 0 0 4.3725 -6.8673 3.3630 H 0 0 0 0 0 0 0 0 0 -1.9641 -8.3000 3.0619 H 0 0 0 0 0 0 0 0 0 -1.0163 -6.8726 3.4811 H 0 0 0 0 0 0 0 0 0 -2.3864 -6.7299 2.3860 H 0 0 0 0 0 0 0 0 0 0.2458 -4.8934 1.5727 H 0 0 0 0 0 0 0 0 0 -0.5469 -3.3574 1.2210 H 0 0 0 0 0 0 0 0 0 -1.0636 -4.8259 0.3977 H 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 18 2 0 0 0 0 2 11 1 0 0 0 0 2 5 2 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 21 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 6 35 1 0 0 0 0 7 9 2 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 9 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 32 1 0 0 0 0 12 23 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 16 40 1 0 0 0 0 17 22 1 0 0 0 0 17 20 2 0 0 0 0 18 20 1 0 0 0 0 19 33 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 31 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 30 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 M END > 273829 > K $$$$ 278619 1016 111283D 278619 32 31 1 1 V2000 -3.5140 1.6288 7.4808 C 0 0 2 0 0 0 0 0 0 -4.2182 1.0552 8.0671 H 0 0 0 0 0 0 0 0 0 -4.2259 2.2370 6.3626 N 0 0 0 0 0 0 0 0 0 -2.9232 2.7106 8.3857 C 0 0 0 0 0 0 0 0 0 -2.4465 0.6837 6.9897 C 0 0 0 0 0 0 0 0 0 -1.3467 1.0973 6.7089 O 0 0 0 0 0 0 0 0 0 -1.5855 -1.9368 5.0765 C 0 0 1 0 0 0 0 0 0 -2.8191 -2.4936 4.6628 O 0 0 0 0 0 0 0 0 0 -2.7021 -0.6431 6.8530 N 0 0 0 0 0 0 0 0 0 -1.1967 -0.7512 4.1817 C 0 0 1 0 0 0 0 0 0 -1.8944 -2.8717 7.3734 C 0 0 0 0 0 0 0 0 0 0.1485 -0.2006 4.5604 C 0 0 0 0 0 0 0 0 0 1.0581 -0.9578 4.8071 O 0 0 0 0 0 0 0 0 0 -1.6520 -1.5906 6.5718 C 0 0 1 0 0 0 0 0 0 -1.1535 -1.1531 2.7791 N 0 0 0 0 0 0 0 0 0 -1.8507 -2.5872 8.7555 O 0 0 0 0 0 0 0 0 0 -4.9879 2.8088 6.6694 H 0 0 0 0 0 0 0 0 0 -3.6104 2.7624 5.7727 H 0 0 0 0 0 0 0 0 0 -3.7121 3.3612 8.7349 H 0 0 0 0 0 0 0 0 0 -2.4416 2.2548 9.2388 H 0 0 0 0 0 0 0 0 0 -2.1984 3.2964 7.8391 H 0 0 0 0 0 0 0 0 0 -0.8250 -2.6940 4.9415 H 0 0 0 0 0 0 0 0 0 -3.4976 -1.8254 4.6941 H 0 0 0 0 0 0 0 0 0 -3.6143 -0.9582 6.9500 H 0 0 0 0 0 0 0 0 0 -1.9346 0.0295 4.2944 H 0 0 0 0 0 0 0 0 0 -2.8615 -3.2785 7.1108 H 0 0 0 0 0 0 0 0 0 -1.1305 -3.5974 7.1297 H 0 0 0 0 0 0 0 0 0 0.2980 0.8379 4.6080 H 0 0 0 0 0 0 0 0 0 -0.6954 -1.1980 6.8901 H 0 0 0 0 0 0 0 0 0 -0.4320 -1.8274 2.6088 H 0 0 0 0 0 0 0 0 0 -2.0348 -1.5138 2.4709 H 0 0 0 0 0 0 0 0 0 -1.9455 -3.3994 9.2430 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 1 0 0 0 1 4 1 6 0 0 0 1 2 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 6 0 0 0 7 10 1 0 0 0 0 7 22 1 1 0 0 0 8 23 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 10 15 1 1 0 0 0 10 12 1 0 0 0 0 10 25 1 6 0 0 0 11 16 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 14 29 1 1 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 M END > 278619 > K $$$$ 281245 1016 111283D 281245 62 64 1 1 V2000 -3.2677 -1.0013 4.0772 C 0 0 2 0 0 0 0 0 0 -4.2125 -0.5075 3.9006 H 0 0 0 0 0 0 0 0 0 -0.7427 2.4084 3.3529 C 0 0 0 0 0 0 0 0 0 0.4778 3.1550 2.8114 C 0 0 0 0 0 0 0 0 0 -2.5186 0.8977 2.6885 O 0 0 0 0 0 0 0 0 0 -1.4040 1.6270 2.2151 C 0 0 1 0 0 0 0 0 0 0.1816 3.9298 1.5557 C 0 0 0 0 0 0 0 0 0 -1.9204 2.6324 1.1791 C 0 0 1 0 0 0 0 0 0 -0.9119 3.6977 0.8135 C 0 0 0 0 0 0 0 0 0 -2.4596 1.9748 -0.1027 C 0 0 1 0 0 0 0 0 0 -1.1581 4.5183 -0.4228 C 0 0 0 0 0 0 0 0 0 -3.1129 3.0787 -0.9576 C 0 0 1 0 0 0 0 0 0 -2.1878 4.2375 -1.2338 C 0 0 0 0 0 0 0 0 0 0.8073 -1.1361 -0.3472 C 0 0 0 0 0 0 0 0 0 -0.4740 -1.2280 -1.1779 C 0 0 1 0 0 0 0 0 0 1.8585 -1.9688 -1.0744 C 0 0 1 0 0 0 0 0 0 -0.9773 -2.5516 -1.1530 O 0 0 0 0 0 0 0 0 0 1.3844 -3.4122 -1.2589 C 0 0 0 0 0 0 0 0 0 -0.0953 -3.5344 -1.4901 C 0 0 0 0 0 0 0 0 0 -0.5196 -4.5505 -1.9848 O 0 0 0 0 0 0 0 0 0 -2.9889 0.3466 6.2159 C 0 0 0 0 0 0 0 0 0 -2.9981 -1.0462 5.5855 C 0 0 0 0 0 0 0 0 0 -3.3417 -2.4124 3.4920 C 0 0 0 0 0 0 0 0 0 -2.1903 -0.2345 3.3675 C 0 0 0 0 0 0 0 0 0 -1.0491 -0.6303 3.4073 O 0 0 0 0 0 0 0 0 0 -1.3660 1.1612 -0.8247 C 0 0 0 0 0 0 0 0 0 -1.6013 -0.3435 -0.6482 C 0 0 0 0 0 0 0 0 0 -3.7520 2.5515 -2.2454 C 0 0 0 0 0 0 0 0 0 2.0763 -1.3536 -2.3254 O 0 0 0 0 0 0 0 0 0 -0.4303 1.7342 4.1367 H 0 0 0 0 0 0 0 0 0 -1.4516 3.1136 3.7632 H 0 0 0 0 0 0 0 0 0 0.8488 3.8292 3.5699 H 0 0 0 0 0 0 0 0 0 1.2522 2.4367 2.5820 H 0 0 0 0 0 0 0 0 0 -0.6674 0.9754 1.7653 H 0 0 0 0 0 0 0 0 0 0.8601 4.6726 1.2525 H 0 0 0 0 0 0 0 0 0 -2.7465 3.1455 1.6517 H 0 0 0 0 0 0 0 0 0 -3.2585 1.3049 0.1854 H 0 0 0 0 0 0 0 0 0 -0.5177 5.3180 -0.6561 H 0 0 0 0 0 0 0 0 0 -3.9256 3.4830 -0.3703 H 0 0 0 0 0 0 0 0 0 -2.3541 4.8426 -2.0768 H 0 0 0 0 0 0 0 0 0 1.1593 -0.1182 -0.2799 H 0 0 0 0 0 0 0 0 0 0.6275 -1.5274 0.6437 H 0 0 0 0 0 0 0 0 0 -0.2679 -0.9304 -2.1993 H 0 0 0 0 0 0 0 0 0 2.7783 -1.9587 -0.5044 H 0 0 0 0 0 0 0 0 0 1.9233 -3.8686 -2.0758 H 0 0 0 0 0 0 0 0 0 1.5893 -3.9615 -0.3536 H 0 0 0 0 0 0 0 0 0 -2.2278 0.9630 5.7608 H 0 0 0 0 0 0 0 0 0 -3.9522 0.8164 6.0808 H 0 0 0 0 0 0 0 0 0 -2.7830 0.2625 7.2728 H 0 0 0 0 0 0 0 0 0 -3.7721 -1.6266 6.0679 H 0 0 0 0 0 0 0 0 0 -2.0457 -1.5249 5.7676 H 0 0 0 0 0 0 0 0 0 -2.4032 -2.9269 3.6432 H 0 0 0 0 0 0 0 0 0 -4.1330 -2.9708 3.9704 H 0 0 0 0 0 0 0 0 0 -3.5460 -2.3569 2.4323 H 0 0 0 0 0 0 0 0 0 -1.3473 1.3825 -1.8809 H 0 0 0 0 0 0 0 0 0 -0.3952 1.4271 -0.4344 H 0 0 0 0 0 0 0 0 0 -2.5024 -0.6042 -1.1856 H 0 0 0 0 0 0 0 0 0 -1.7517 -0.5774 0.3944 H 0 0 0 0 0 0 0 0 0 -4.3294 3.3377 -2.7100 H 0 0 0 0 0 0 0 0 0 -3.0022 2.2179 -2.9470 H 0 0 0 0 0 0 0 0 0 -4.4119 1.7278 -2.0142 H 0 0 0 0 0 0 0 0 0 2.8605 -1.7128 -2.7308 H 0 0 0 0 0 0 0 0 0 1 24 1 1 0 0 0 1 22 1 0 0 0 0 1 23 1 6 0 0 0 1 2 1 0 0 0 0 3 6 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 7 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 6 0 0 0 6 34 1 1 0 0 0 7 9 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 6 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 1 0 0 0 10 37 1 6 0 0 0 11 13 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 1 0 0 0 12 28 1 6 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 1 0 0 0 15 27 1 6 0 0 0 15 43 1 0 0 0 0 16 29 1 0 0 0 0 16 18 1 1 0 0 0 16 44 1 6 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 M END > 281245 > K $$$$ 282752 1016 111283D 282752 54 56 1 1 V2000 -0.0239 1.4929 0.0451 C 0 0 0 0 0 0 0 0 0 1.1187 2.2001 0.0309 C 0 0 0 0 0 0 0 0 0 -0.0386 -0.0150 0.0641 C 0 0 0 0 0 0 0 0 0 2.4780 1.5567 0.0587 C 0 0 0 0 0 0 0 0 0 -0.0024 -0.5242 1.5070 C 0 0 0 0 0 0 0 0 0 2.8930 1.2043 -1.3730 C 0 0 0 0 0 0 0 0 0 0.1139 -2.0479 1.6231 C 0 0 0 0 0 0 0 0 0 4.0850 0.2419 -1.4544 C 0 0 1 0 0 0 0 0 0 3.6527 -1.2086 -1.1541 C 0 0 1 0 0 0 0 0 0 1.5233 -2.6640 1.5950 C 0 0 1 0 0 0 0 0 0 4.8933 -2.1026 -0.9670 C 0 0 0 0 0 0 0 0 0 2.2239 -2.6012 0.2293 C 0 0 1 0 0 0 0 0 0 2.7811 -1.3145 -0.0301 O 0 0 0 0 0 0 0 0 0 4.6581 -2.9465 0.2803 C 0 0 1 0 0 0 0 0 0 3.3195 -3.6688 0.1187 C 0 0 1 0 0 0 0 0 0 3.2730 -4.8092 0.9642 O 0 0 0 0 0 0 0 0 0 4.5728 -5.2028 1.0356 C 0 0 0 0 0 0 0 0 0 5.5010 -4.1305 0.5827 C 0 0 0 0 0 0 0 0 0 4.9267 -6.2910 1.4191 O 0 0 0 0 0 0 0 0 0 -1.3435 2.2133 0.0452 C 0 0 0 0 0 0 0 0 0 4.6836 0.3025 -2.8653 C 0 0 0 0 0 0 0 0 0 2.4072 -2.1383 2.7295 C 0 0 0 0 0 0 0 0 0 5.0985 0.6390 -0.5531 O 0 0 0 0 0 0 0 0 0 6.8330 -4.2045 0.4719 C 0 0 0 0 0 0 0 0 0 1.0715 3.2491 -0.0047 H 0 0 0 0 0 0 0 0 0 -0.9431 -0.3680 -0.4098 H 0 0 0 0 0 0 0 0 0 0.7926 -0.4076 -0.4971 H 0 0 0 0 0 0 0 0 0 3.1952 2.2500 0.4744 H 0 0 0 0 0 0 0 0 0 2.4616 0.6879 0.6967 H 0 0 0 0 0 0 0 0 0 0.7986 -0.0531 2.0563 H 0 0 0 0 0 0 0 0 0 -0.9337 -0.2297 1.9703 H 0 0 0 0 0 0 0 0 0 2.0636 0.7648 -1.9079 H 0 0 0 0 0 0 0 0 0 3.1477 2.1337 -1.8621 H 0 0 0 0 0 0 0 0 0 -0.3108 -2.3176 2.5800 H 0 0 0 0 0 0 0 0 0 -0.4989 -2.5114 0.8625 H 0 0 0 0 0 0 0 0 0 3.0928 -1.5659 -2.0079 H 0 0 0 0 0 0 0 0 0 1.3568 -3.7119 1.8037 H 0 0 0 0 0 0 0 0 0 5.0198 -2.7332 -1.8353 H 0 0 0 0 0 0 0 0 0 5.7941 -1.5245 -0.8197 H 0 0 0 0 0 0 0 0 0 1.4788 -2.8278 -0.5202 H 0 0 0 0 0 0 0 0 0 4.6545 -2.3051 1.1494 H 0 0 0 0 0 0 0 0 0 3.2701 -4.0535 -0.8927 H 0 0 0 0 0 0 0 0 0 -1.2045 3.2848 0.0614 H 0 0 0 0 0 0 0 0 0 -1.8947 1.9470 -0.8451 H 0 0 0 0 0 0 0 0 0 -1.9122 1.9221 0.9163 H 0 0 0 0 0 0 0 0 0 5.0159 1.3072 -3.0818 H 0 0 0 0 0 0 0 0 0 5.5349 -0.3586 -2.9341 H 0 0 0 0 0 0 0 0 0 3.9466 0.0099 -3.5997 H 0 0 0 0 0 0 0 0 0 1.8690 -2.1787 3.6656 H 0 0 0 0 0 0 0 0 0 3.2902 -2.7528 2.8213 H 0 0 0 0 0 0 0 0 0 2.7069 -1.1195 2.5315 H 0 0 0 0 0 0 0 0 0 5.3254 1.5527 -0.6932 H 0 0 0 0 0 0 0 0 0 7.3339 -5.0942 0.7187 H 0 0 0 0 0 0 0 0 0 7.3799 -3.3728 0.1356 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 6 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 23 1 1 0 0 0 8 9 1 0 0 0 0 8 21 1 6 0 0 0 9 13 1 1 0 0 0 9 11 1 0 0 0 0 9 36 1 6 0 0 0 10 12 1 6 0 0 0 10 22 1 1 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 6 0 0 0 14 15 1 6 0 0 0 14 18 1 0 0 0 0 14 41 1 1 0 0 0 15 16 1 1 0 0 0 15 42 1 6 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 18 1 0 0 0 0 18 24 2 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 M END > 282752 > K $$$$ 282880 1016 111283D 282880 79 78 0 2 V2000 12.4200 19.0140 6.2629 O 0 0 0 0 0 0 0 0 0 12.6714 20.5404 6.5199 P 0 0 0 0 0 0 0 0 0 11.9762 20.5758 7.8171 O 0 0 0 0 0 0 0 0 0 12.4596 21.8120 7.4758 O 0 5 0 0 0 0 0 0 0 13.4292 21.5752 5.5577 O 0 0 0 0 0 0 0 0 0 11.9551 23.8719 7.2274 N 0 3 0 0 0 0 0 0 0 13.1180 18.7659 5.0706 C 0 0 0 0 0 0 0 0 0 14.3453 18.0655 5.6260 C 0 0 0 0 0 0 0 0 0 15.3281 17.6066 4.5452 C 0 0 0 0 0 0 0 0 0 16.4916 16.7947 5.1242 C 0 0 0 0 0 0 0 0 0 16.0785 15.5398 5.9011 C 0 0 0 0 0 0 0 0 0 15.2726 14.5516 5.0561 C 0 0 0 0 0 0 0 0 0 14.7456 13.3794 5.8923 C 0 0 0 0 0 0 0 0 0 13.2150 13.3257 5.8560 C 0 0 0 0 0 0 0 0 0 12.6256 12.1650 6.6645 C 0 0 0 0 0 0 0 0 0 13.1056 10.7768 6.2308 C 0 0 0 0 0 0 0 0 0 12.7281 10.4420 4.7849 C 0 0 0 0 0 0 0 0 0 13.2724 9.0842 4.3306 C 0 0 0 0 0 0 0 0 0 14.7998 8.9555 4.3740 C 0 0 0 0 0 0 0 0 0 15.5131 9.9674 3.4735 C 0 0 0 0 0 0 0 0 0 17.0379 9.8840 3.6148 C 0 0 0 0 0 0 0 0 0 17.6200 11.2123 4.1026 C 0 0 0 0 0 0 0 0 0 19.1417 11.1370 4.2098 C 0 0 0 0 0 0 0 0 0 19.6995 12.4906 4.6474 C 0 0 0 0 0 0 0 0 0 14.0846 22.5877 6.2984 C 0 0 0 0 0 0 0 0 0 13.1878 23.8212 6.3896 C 0 0 0 0 0 0 0 0 0 10.7388 23.1803 6.7332 C 0 0 0 0 0 0 0 0 0 12.1272 23.8719 8.6969 C 0 0 0 0 0 0 0 0 0 11.5695 25.2899 7.0083 C 0 0 0 0 0 0 0 0 0 12.5590 18.0561 4.4725 H 0 0 0 0 0 0 0 0 0 13.3949 19.5964 4.4239 H 0 0 0 0 0 0 0 0 0 14.8490 18.7138 6.3260 H 0 0 0 0 0 0 0 0 0 13.9593 17.2164 6.1721 H 0 0 0 0 0 0 0 0 0 14.8095 17.0162 3.8032 H 0 0 0 0 0 0 0 0 0 15.7321 18.4776 4.0461 H 0 0 0 0 0 0 0 0 0 17.1415 16.4987 4.3125 H 0 0 0 0 0 0 0 0 0 17.0592 17.4308 5.7903 H 0 0 0 0 0 0 0 0 0 16.9709 15.0422 6.2550 H 0 0 0 0 0 0 0 0 0 15.5010 15.8265 6.7692 H 0 0 0 0 0 0 0 0 0 14.4391 15.0674 4.6013 H 0 0 0 0 0 0 0 0 0 15.8999 14.1726 4.2621 H 0 0 0 0 0 0 0 0 0 15.1444 12.4648 5.4814 H 0 0 0 0 0 0 0 0 0 15.0752 13.4514 6.9202 H 0 0 0 0 0 0 0 0 0 12.8277 14.2517 6.2614 H 0 0 0 0 0 0 0 0 0 12.8851 13.2509 4.8299 H 0 0 0 0 0 0 0 0 0 12.8859 12.3074 7.7045 H 0 0 0 0 0 0 0 0 0 11.5479 12.2027 6.5842 H 0 0 0 0 0 0 0 0 0 14.1770 10.7324 6.3573 H 0 0 0 0 0 0 0 0 0 12.6639 10.0373 6.8839 H 0 0 0 0 0 0 0 0 0 11.6499 10.4307 4.7060 H 0 0 0 0 0 0 0 0 0 13.0930 11.2076 4.1170 H 0 0 0 0 0 0 0 0 0 12.8456 8.3157 4.9602 H 0 0 0 0 0 0 0 0 0 12.9417 8.9062 3.3162 H 0 0 0 0 0 0 0 0 0 15.1462 9.0660 5.3911 H 0 0 0 0 0 0 0 0 0 15.0677 7.9598 4.0493 H 0 0 0 0 0 0 0 0 0 15.2351 9.7749 2.4460 H 0 0 0 0 0 0 0 0 0 15.1821 10.9646 3.7226 H 0 0 0 0 0 0 0 0 0 17.3161 9.0993 4.3057 H 0 0 0 0 0 0 0 0 0 17.4657 9.6441 2.6507 H 0 0 0 0 0 0 0 0 0 17.3497 11.9953 3.4070 H 0 0 0 0 0 0 0 0 0 17.2072 11.4514 5.0737 H 0 0 0 0 0 0 0 0 0 19.4190 10.3805 4.9322 H 0 0 0 0 0 0 0 0 0 19.5621 10.8687 3.2498 H 0 0 0 0 0 0 0 0 0 19.4445 13.2493 3.9210 H 0 0 0 0 0 0 0 0 0 19.2892 12.7691 5.6078 H 0 0 0 0 0 0 0 0 0 20.7757 12.4300 4.7282 H 0 0 0 0 0 0 0 0 0 14.4107 22.2947 7.2928 H 0 0 0 0 0 0 0 0 0 14.9758 22.8680 5.7526 H 0 0 0 0 0 0 0 0 0 12.9224 24.0023 5.3606 H 0 0 0 0 0 0 0 0 0 13.8698 24.5867 6.7238 H 0 0 0 0 0 0 0 0 0 9.8200 23.7437 6.7767 H 0 0 0 0 0 0 0 0 0 10.9114 22.8428 5.7246 H 0 0 0 0 0 0 0 0 0 10.5550 22.3068 7.3419 H 0 0 0 0 0 0 0 0 0 11.2017 24.1158 9.1941 H 0 0 0 0 0 0 0 0 0 12.4015 22.8966 9.0686 H 0 0 0 0 0 0 0 0 0 12.9074 24.5467 9.0088 H 0 0 0 0 0 0 0 0 0 12.3404 25.9776 7.3289 H 0 0 0 0 0 0 0 0 0 11.3676 25.4867 5.9637 H 0 0 0 0 0 0 0 0 0 10.6769 25.5530 7.5604 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 24 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 26 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 M CHG 2 4 -1 6 1 M END > 282880 > K $$$$ 283162 1016 111283D 283162 36 36 0 1 V2000 0.9149 0.6712 -5.4615 N 0 0 0 0 0 0 0 0 0 -1.1580 1.5302 -4.8534 N 0 0 0 0 0 0 0 0 0 -0.6374 -0.6888 -4.3901 N 0 0 0 0 0 0 0 0 0 0.0519 1.7058 -5.4207 C 0 0 0 0 0 0 0 0 0 -1.4954 0.3467 -4.3038 C 0 0 0 0 0 0 0 0 0 0.5657 -0.5375 -4.9772 C 0 0 0 0 0 0 0 0 0 -0.6265 4.5138 -4.6909 O 0 0 0 0 0 0 0 0 0 -0.5781 3.9737 -5.9897 C 0 0 0 0 0 0 0 0 0 0.3940 2.9172 -5.9487 N 0 0 0 0 0 0 0 0 0 1.7153 3.1680 -6.4673 C 0 0 0 0 0 0 0 0 0 1.4178 -1.5983 -5.0799 N 0 0 0 0 0 0 0 0 0 2.7610 -1.4383 -5.5769 C 0 0 0 0 0 0 0 0 0 0.9752 -2.9064 -4.6843 C 0 0 0 0 0 0 0 0 0 -2.6914 0.1934 -3.6658 N 0 0 0 0 0 0 0 0 0 -3.6737 1.2475 -3.6441 C 0 0 0 0 0 0 0 0 0 1.0777 -2.9550 -3.2812 O 0 0 0 0 0 0 0 0 0 -2.9846 -1.0444 -2.9995 C 0 0 0 0 0 0 0 0 0 -3.3639 -1.9519 -4.0068 O 0 0 0 0 0 0 0 0 0 -1.2818 5.2016 -4.6688 H 0 0 0 0 0 0 0 0 0 -1.5460 3.5853 -6.2807 H 0 0 0 0 0 0 0 0 0 -0.2892 4.7422 -6.6952 H 0 0 0 0 0 0 0 0 0 2.3612 2.3057 -6.3846 H 0 0 0 0 0 0 0 0 0 1.6464 3.4388 -7.5112 H 0 0 0 0 0 0 0 0 0 2.1685 3.9837 -5.9220 H 0 0 0 0 0 0 0 0 0 2.9841 -0.4139 -5.8385 H 0 0 0 0 0 0 0 0 0 3.4643 -1.7546 -4.8198 H 0 0 0 0 0 0 0 0 0 2.8948 -2.0488 -6.4585 H 0 0 0 0 0 0 0 0 0 -0.0474 -3.0724 -4.9999 H 0 0 0 0 0 0 0 0 0 1.5990 -3.6744 -5.1235 H 0 0 0 0 0 0 0 0 0 -3.3380 2.1338 -4.1633 H 0 0 0 0 0 0 0 0 0 -4.5821 0.9007 -4.1155 H 0 0 0 0 0 0 0 0 0 -3.8894 1.5187 -2.6206 H 0 0 0 0 0 0 0 0 0 0.7716 -3.8039 -2.9833 H 0 0 0 0 0 0 0 0 0 -2.1129 -1.4033 -2.4663 H 0 0 0 0 0 0 0 0 0 -3.7944 -0.9217 -2.2918 H 0 0 0 0 0 0 0 0 0 -3.5386 -2.7952 -3.6054 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 2 5 1 0 0 0 0 2 4 2 0 0 0 0 3 6 1 0 0 0 0 3 5 2 0 0 0 0 4 9 1 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 M END > 283162 > K $$$$ 284356 1016 111283D 284356 32 36 1 1 V2000 -1.9637 4.0193 0.3807 O 0 0 0 0 0 0 0 0 0 -0.2552 -0.0800 0.3624 O 0 0 0 0 0 0 0 0 0 3.0474 1.3114 -4.3958 O 0 0 0 0 0 0 0 0 0 1.3301 5.4096 -4.3830 O 0 0 0 0 0 0 0 0 0 -0.2832 1.1233 0.2877 C 0 0 0 0 0 0 0 0 0 0.9260 1.9784 0.0471 C 0 0 1 0 0 0 0 0 0 1.6067 1.6836 -1.3059 C 0 0 1 0 0 0 0 0 0 0.5550 1.9488 -2.3577 C 0 0 0 0 0 0 0 0 0 2.7263 2.7420 -1.4230 C 0 0 2 0 0 0 0 0 0 0.3287 3.4114 0.0532 C 0 0 1 0 0 0 0 0 0 2.1332 4.1637 -1.4179 C 0 0 1 0 0 0 0 0 0 3.4012 3.0320 -2.7686 C 0 0 1 0 0 0 0 0 0 2.8288 2.4362 -4.0205 C 0 0 0 0 0 0 0 0 0 2.8092 4.4469 -2.7645 C 0 0 1 0 0 0 0 0 0 0.0391 3.1859 -2.3525 C 0 0 0 0 0 0 0 0 0 0.5939 4.1120 -1.2957 C 0 0 1 0 0 0 0 0 0 -1.1291 3.1529 0.2966 C 0 0 0 0 0 0 0 0 0 1.9799 4.4631 -4.0143 C 0 0 0 0 0 0 0 0 0 -1.4104 1.8441 0.4119 N 0 0 0 0 0 0 0 0 0 2.0371 3.2979 -4.6824 N 0 0 0 0 0 0 0 0 0 1.6192 1.8445 0.8647 H 0 0 0 0 0 0 0 0 0 1.9921 0.6755 -1.3645 H 0 0 0 0 0 0 0 0 0 0.2501 1.2143 -3.0451 H 0 0 0 0 0 0 0 0 0 3.4674 2.6277 -0.6435 H 0 0 0 0 0 0 0 0 0 0.7243 3.9922 0.8736 H 0 0 0 0 0 0 0 0 0 2.5761 4.7663 -0.6365 H 0 0 0 0 0 0 0 0 0 4.4811 3.0239 -2.7362 H 0 0 0 0 0 0 0 0 0 3.5616 5.2216 -2.7310 H 0 0 0 0 0 0 0 0 0 -0.6993 3.4910 -3.0356 H 0 0 0 0 0 0 0 0 0 0.1486 5.0957 -1.3461 H 0 0 0 0 0 0 0 0 0 -2.2932 1.4755 0.5613 H 0 0 0 0 0 0 0 0 0 1.5775 3.1079 -5.5131 H 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 5 2 0 0 0 0 3 13 2 0 0 0 0 4 18 2 0 0 0 0 5 19 1 0 0 0 0 5 6 1 0 0 0 0 6 10 1 0 0 0 0 6 7 1 6 0 0 0 6 21 1 1 0 0 0 7 9 1 0 0 0 0 7 8 1 6 0 0 0 7 22 1 0 0 0 0 8 15 2 0 0 0 0 8 23 1 0 0 0 0 9 12 1 6 0 0 0 9 11 1 0 0 0 0 9 24 1 1 0 0 0 10 17 1 0 0 0 0 10 16 1 6 0 0 0 10 25 1 1 0 0 0 11 14 1 6 0 0 0 11 16 1 0 0 0 0 11 26 1 1 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 6 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 M END > 284356 > K $$$$ 284751 1016 111283D 284751 34 37 1 1 V2000 0.2584 1.2307 -0.6550 O 0 0 0 0 0 0 0 0 0 -0.0227 0.1395 0.4820 P 0 0 1 0 0 0 0 0 0 -1.4317 -0.1567 0.6694 O 0 0 0 0 0 0 0 0 0 2.0555 5.5821 -5.0847 N 0 0 0 0 0 0 0 0 0 2.0621 5.3230 -3.7566 C 0 0 0 0 0 0 0 0 0 2.5131 4.1418 -3.2791 N 0 0 0 0 0 0 0 0 0 2.1858 1.8927 -1.3055 C 0 0 1 0 0 0 0 0 0 2.5041 4.6618 -5.9858 C 0 0 0 0 0 0 0 0 0 3.5121 2.2285 -1.6853 O 0 0 0 0 0 0 0 0 0 2.9639 3.4656 -5.5034 C 0 0 0 0 0 0 0 0 0 2.9630 3.2136 -4.1665 C 0 0 0 0 0 0 0 0 0 1.8768 0.3839 -1.2745 C 0 0 1 0 0 0 0 0 0 0.4128 0.9378 -0.8300 O 0 0 0 0 0 0 0 0 0 2.6593 0.0611 -2.5803 C 0 0 1 0 0 0 0 0 0 3.4519 1.9812 -3.9645 N 0 0 0 0 0 0 0 0 0 3.6276 1.2841 -2.7242 C 0 0 1 0 0 0 0 0 0 3.4657 2.3831 -6.1645 N 0 0 0 0 0 0 0 0 0 3.7538 1.5029 -5.1894 C 0 0 0 0 0 0 0 0 0 4.4347 -0.0634 -5.5148 Cl 0 0 0 0 0 0 0 0 0 1.2552 -0.2297 1.1850 O 0 0 0 0 0 0 0 0 0 1.4794 2.2143 0.0161 C 0 0 0 0 0 0 0 0 0 2.4620 5.0029 -7.2979 N 0 0 0 0 0 0 0 0 0 3.3702 -1.2033 -2.5383 O 0 0 0 0 0 0 0 0 0 1.7090 6.0505 -3.0803 H 0 0 0 0 0 0 0 0 0 1.4769 2.3037 -2.0101 H 0 0 0 0 0 0 0 0 0 2.4536 -0.0980 -0.5016 H 0 0 0 0 0 0 0 0 0 1.9918 0.0621 -3.4343 H 0 0 0 0 0 0 0 0 0 4.6412 0.9137 -2.6499 H 0 0 0 0 0 0 0 0 0 0.5844 -0.0176 1.8422 H 0 0 0 0 0 0 0 0 0 1.4258 3.2925 0.0924 H 0 0 0 0 0 0 0 0 0 2.1036 1.7983 0.8145 H 0 0 0 0 0 0 0 0 0 2.1230 5.8673 -7.5643 H 0 0 0 0 0 0 0 0 0 2.7745 4.3723 -7.9700 H 0 0 0 0 0 0 0 0 0 3.8908 -1.3835 -3.3287 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 2 13 1 6 0 0 0 2 20 1 1 0 0 0 2 3 2 0 0 0 0 4 8 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 21 1 1 0 0 0 7 25 1 6 0 0 0 8 22 1 0 0 0 0 8 10 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 11 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 6 0 0 0 12 26 1 1 0 0 0 14 23 1 1 0 0 0 14 16 1 0 0 0 0 14 27 1 6 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 28 1 1 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 M END > 284751 > K $$$$ 285166 1016 111283D 285166 18 19 0 1 V2000 0.0123 1.3940 -0.0354 C 0 0 0 0 0 0 0 0 0 0.0094 0.0090 -0.1206 C 0 0 0 0 0 0 0 0 0 1.2230 2.0672 0.0518 C 0 0 0 0 0 0 0 0 0 2.4168 1.3563 0.0539 C 0 0 0 0 0 0 0 0 0 2.3803 -0.0340 -0.0368 C 0 0 0 0 0 0 0 0 0 1.1825 -0.6654 -0.1219 N 0 0 0 0 0 0 0 0 0 3.5670 -0.7639 -0.0397 C 0 0 0 0 0 0 0 0 0 3.6047 -2.1213 -0.1279 O 0 0 0 0 0 0 0 0 0 4.7810 -0.0963 0.0507 C 0 0 0 0 0 0 0 0 0 4.8195 1.2888 0.1435 C 0 0 0 0 0 0 0 0 0 3.6368 2.0161 0.1451 C 0 0 0 0 0 0 0 0 0 -0.8927 1.9269 -0.0369 H 0 0 0 0 0 0 0 0 0 -0.8985 -0.5157 -0.1841 H 0 0 0 0 0 0 0 0 0 1.2310 3.1160 0.1162 H 0 0 0 0 0 0 0 0 0 2.7215 -2.4703 -0.1925 H 0 0 0 0 0 0 0 0 0 5.6737 -0.6490 0.0484 H 0 0 0 0 0 0 0 0 0 5.7426 1.7855 0.2124 H 0 0 0 0 0 0 0 0 0 3.6698 3.0641 0.2155 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 M END > 285166 > K $$$$ 285223 1016 111283D 285223 33 35 1 1 V2000 0.2520 1.1262 -0.0643 N 0 0 0 0 0 0 0 0 0 3.7787 0.5185 2.1549 O 0 0 0 0 0 0 0 0 0 2.0914 -0.6272 1.3366 N 0 0 0 0 0 0 0 0 0 1.9759 -0.9695 -0.7322 H 0 0 0 0 0 0 0 0 0 0.1765 -0.1229 0.0348 C 0 0 0 0 0 0 0 0 0 1.3737 -1.0188 0.1653 C 0 0 2 0 0 0 0 0 0 1.0431 -2.4747 0.5001 C 0 0 0 0 0 0 0 0 0 0.8817 -2.4502 2.0167 C 0 0 0 0 0 0 0 0 0 1.9844 -1.4955 2.4613 C 0 0 2 0 0 0 0 0 0 1.3410 1.9517 -0.0850 C 0 0 0 0 0 0 0 0 0 1.1932 3.1174 -0.8253 C 0 0 0 0 0 0 0 0 0 2.2176 4.0490 -0.9175 C 0 0 0 0 0 0 0 0 0 3.4236 3.8283 -0.2574 C 0 0 0 0 0 0 0 0 0 2.5509 1.7230 0.5709 C 0 0 0 0 0 0 0 0 0 3.5730 2.6603 0.4831 C 0 0 0 0 0 0 0 0 0 2.8372 0.5009 1.3979 C 0 0 0 0 0 0 0 0 0 4.4004 4.7787 -0.3776 O 0 0 0 0 0 0 0 0 0 5.5118 4.7199 0.4985 C 0 0 0 0 0 0 0 0 0 1.9897 5.1613 -1.6662 O 0 0 0 0 0 0 0 0 0 1.5555 -0.6964 3.5361 O 0 0 0 0 0 0 0 0 0 -0.7774 -0.5616 0.0224 H 0 0 0 0 0 0 0 0 0 0.1569 -2.8352 -0.0026 H 0 0 0 0 0 0 0 0 0 1.8851 -3.1041 0.2469 H 0 0 0 0 0 0 0 0 0 -0.0761 -2.0171 2.2666 H 0 0 0 0 0 0 0 0 0 0.9783 -3.4269 2.4677 H 0 0 0 0 0 0 0 0 0 2.9261 -1.9981 2.6462 H 0 0 0 0 0 0 0 0 0 0.2903 3.3025 -1.3277 H 0 0 0 0 0 0 0 0 0 4.4740 2.4734 0.9877 H 0 0 0 0 0 0 0 0 0 6.1635 3.9025 0.2247 H 0 0 0 0 0 0 0 0 0 6.0676 5.6431 0.4200 H 0 0 0 0 0 0 0 0 0 5.1947 4.6057 1.5263 H 0 0 0 0 0 0 0 0 0 2.7652 5.7154 -1.6588 H 0 0 0 0 0 0 0 0 0 1.4509 -1.2398 4.3064 H 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 2 16 2 0 0 0 0 3 16 1 0 0 0 0 3 9 1 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 20 1 1 0 0 0 9 26 1 6 0 0 0 10 14 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 19 1 0 0 0 0 12 13 2 0 0 0 0 13 17 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END > 285223 > K $$$$ 286193 1016 111283D 286193 29 30 1 1 V2000 -6.7963 1.8126 1.9033 N 0 0 0 0 0 0 0 0 0 -6.2850 -0.3618 -1.0125 O 0 0 0 0 0 0 0 0 0 -4.6028 1.3934 0.6487 S 0 0 0 0 0 0 0 0 0 -4.6043 2.4508 1.9844 C 0 0 0 0 0 0 0 0 0 -5.8668 2.5593 2.5404 C 0 0 0 0 0 0 0 0 0 -6.2760 1.1235 0.8662 C 0 0 0 0 0 0 0 0 0 -7.0955 0.2137 -0.0037 C 0 0 1 0 0 0 0 0 0 -8.2024 0.9978 -0.7115 C 0 0 1 0 0 0 0 0 0 -7.4393 1.4784 -1.9404 C 0 0 1 0 0 0 0 0 0 -6.6934 0.1871 -2.2529 C 0 0 1 0 0 0 0 0 0 -7.4009 3.5118 4.2700 N 0 0 0 0 0 0 0 0 0 -6.1599 3.4253 3.7348 C 0 0 0 0 0 0 0 0 0 -5.2761 4.0698 4.2453 O 0 0 0 0 0 0 0 0 0 -4.6713 1.4480 -2.6549 O 0 0 0 0 0 0 0 0 0 -8.2388 1.9113 -3.0232 O 0 0 0 0 0 0 0 0 0 -5.5092 0.4395 -3.1821 C 0 0 0 0 0 0 0 0 0 -9.2683 0.1489 -1.0917 O 0 0 0 0 0 0 0 0 0 -3.7551 2.9559 2.3403 H 0 0 0 0 0 0 0 0 0 -7.5263 -0.5558 0.6193 H 0 0 0 0 0 0 0 0 0 -8.5725 1.8286 -0.1263 H 0 0 0 0 0 0 0 0 0 -6.7301 2.2456 -1.6582 H 0 0 0 0 0 0 0 0 0 -7.3769 -0.5043 -2.7269 H 0 0 0 0 0 0 0 0 0 -8.1367 3.0080 3.8906 H 0 0 0 0 0 0 0 0 0 -7.5459 4.0840 5.0387 H 0 0 0 0 0 0 0 0 0 -3.8872 1.5075 -3.1915 H 0 0 0 0 0 0 0 0 0 -8.7953 2.6255 -2.7308 H 0 0 0 0 0 0 0 0 0 -4.9634 -0.4875 -3.2913 H 0 0 0 0 0 0 0 0 0 -5.8840 0.7493 -4.1481 H 0 0 0 0 0 0 0 0 0 -9.7433 -0.1340 -0.3169 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 5 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 19 1 0 0 0 0 8 17 1 6 0 0 0 8 9 1 1 0 0 0 8 20 1 0 0 0 0 9 15 1 6 0 0 0 9 10 1 1 0 0 0 9 21 1 0 0 0 0 10 16 1 1 0 0 0 10 22 1 6 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 M END > 286193 > K $$$$ 288010 1016 111283D 288010 61 64 0 1 V2000 -5.2932 0.9093 1.6908 O 0 0 0 0 0 0 0 0 0 -3.2390 1.6912 0.6146 C 0 0 0 0 0 0 0 0 0 -4.2616 0.7663 0.8085 C 0 0 0 0 0 0 0 0 0 -2.2260 1.4396 -0.3026 C 0 0 0 0 0 0 0 0 0 -4.2623 -0.4030 0.0604 C 0 0 0 0 0 0 0 0 0 -2.2216 0.2546 -1.0294 C 0 0 0 0 0 0 0 0 0 -3.2576 -0.6612 -0.8640 C 0 0 0 0 0 0 0 0 0 1.5739 1.8681 0.7998 C 0 0 0 0 0 0 0 0 0 0.8086 1.0312 -0.0022 C 0 0 0 0 0 0 0 0 0 0.1403 0.3034 -2.1833 N 0 0 0 0 0 0 0 0 0 -1.1433 -0.1008 -2.0194 C 0 0 0 0 0 0 0 0 0 0.8918 1.1145 -1.3876 C 0 0 0 0 0 0 0 0 0 -3.2873 -1.9324 -1.6824 C 0 0 0 0 0 0 0 0 0 2.4300 2.7942 0.2188 C 0 0 0 0 0 0 0 0 0 3.3820 3.8543 1.2188 Cl 0 0 0 0 0 0 0 0 0 1.7607 2.0346 -1.9627 C 0 0 0 0 0 0 0 0 0 -1.4200 -1.0165 -3.0117 C 0 0 0 0 0 0 0 0 0 2.5265 2.8749 -1.1641 C 0 0 0 0 0 0 0 0 0 -2.7283 -1.7478 -3.1000 C 0 0 0 0 0 0 0 0 0 -0.3052 -1.0832 -3.8231 C 0 0 0 0 0 0 0 0 0 0.6290 -0.2481 -3.3196 N 0 0 0 0 0 0 0 0 0 -0.1567 -1.9358 -5.0492 C 0 0 0 0 0 0 0 0 0 -1.0725 -2.6333 -5.4159 O 0 0 0 0 0 0 0 0 0 2.8177 -1.2338 -7.8860 N 0 0 0 0 0 0 0 0 0 -5.3135 2.0432 2.5354 C 0 0 0 0 0 0 0 0 0 0.9993 -1.9377 -5.7597 N 0 0 0 0 0 0 0 0 0 1.1483 -2.7679 -6.9228 C 0 0 0 0 0 0 0 0 0 2.5517 -2.6252 -7.5143 C 0 0 0 0 0 0 0 0 0 4.2016 -0.7932 -7.7118 C 0 0 0 0 0 0 0 0 0 4.4777 -0.4865 -6.2416 C 0 0 0 0 0 0 0 0 0 2.1749 -0.7906 -9.1224 C 0 0 0 0 0 0 0 0 0 1.7164 0.6580 -8.9758 C 0 0 0 0 0 0 0 0 0 -3.2240 2.5880 1.1587 H 0 0 0 0 0 0 0 0 0 -1.4679 2.1521 -0.4443 H 0 0 0 0 0 0 0 0 0 -5.0386 -1.0954 0.2023 H 0 0 0 0 0 0 0 0 0 1.5080 1.8032 1.8460 H 0 0 0 0 0 0 0 0 0 0.1641 0.3295 0.4394 H 0 0 0 0 0 0 0 0 0 -2.6805 -2.6636 -1.1676 H 0 0 0 0 0 0 0 0 0 -4.2965 -2.3126 -1.7529 H 0 0 0 0 0 0 0 0 0 1.8367 2.0980 -3.0079 H 0 0 0 0 0 0 0 0 0 3.1777 3.5713 -1.6056 H 0 0 0 0 0 0 0 0 0 -2.5957 -2.7120 -3.5686 H 0 0 0 0 0 0 0 0 0 -3.4164 -1.1567 -3.6873 H 0 0 0 0 0 0 0 0 0 -6.1620 1.9608 3.1991 H 0 0 0 0 0 0 0 0 0 -4.4151 2.0931 3.1345 H 0 0 0 0 0 0 0 0 0 -5.4208 2.9466 1.9522 H 0 0 0 0 0 0 0 0 0 1.7304 -1.3663 -5.4731 H 0 0 0 0 0 0 0 0 0 0.9823 -3.8029 -6.6567 H 0 0 0 0 0 0 0 0 0 0.4094 -2.4819 -7.6573 H 0 0 0 0 0 0 0 0 0 2.6567 -3.2706 -8.3757 H 0 0 0 0 0 0 0 0 0 3.2471 -2.9608 -6.7588 H 0 0 0 0 0 0 0 0 0 4.8823 -1.5545 -8.0671 H 0 0 0 0 0 0 0 0 0 4.3946 0.1130 -8.2682 H 0 0 0 0 0 0 0 0 0 3.8051 0.2886 -5.9032 H 0 0 0 0 0 0 0 0 0 4.3337 -1.3682 -5.6356 H 0 0 0 0 0 0 0 0 0 5.4964 -0.1458 -6.1289 H 0 0 0 0 0 0 0 0 0 2.8593 -0.8818 -9.9544 H 0 0 0 0 0 0 0 0 0 1.2995 -1.3848 -9.3421 H 0 0 0 0 0 0 0 0 0 2.5611 1.3060 -8.7972 H 0 0 0 0 0 0 0 0 0 1.2157 0.9744 -9.8791 H 0 0 0 0 0 0 0 0 0 1.0320 0.7321 -8.1430 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 34 1 0 0 0 0 5 7 2 0 0 0 0 5 35 1 0 0 0 0 6 11 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 12 2 0 0 0 0 9 37 1 0 0 0 0 10 21 1 0 0 0 0 10 12 1 0 0 0 0 10 11 1 0 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 31 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END > 288010 > K $$$$ 292147 1016 111283D 292147 29 32 1 1 V2000 0.0109 1.3904 0.0057 C 0 0 0 0 0 0 0 0 0 1.1921 2.1284 -0.0063 C 0 0 0 0 0 0 0 0 0 0.0446 0.0001 -0.0029 C 0 0 0 0 0 0 0 0 0 2.4302 1.4928 -0.0251 C 0 0 0 0 0 0 0 0 0 1.2861 -0.6172 -0.0226 C 0 0 0 0 0 0 0 0 0 2.4674 0.1053 -0.0306 C 0 0 0 0 0 0 0 0 0 3.5509 -0.7247 -0.0439 N 0 0 0 0 0 0 0 0 0 1.6454 -2.0587 -0.0390 C 0 0 0 0 0 0 0 0 0 0.8985 -3.0100 -0.0343 O 0 0 0 0 0 0 0 0 0 4.9314 -0.3338 -0.0399 C 0 0 1 0 0 0 0 0 0 3.1411 -2.0241 -0.0622 C 0 0 0 0 0 0 0 0 0 5.8390 -1.5366 -0.1282 C 0 0 0 0 0 0 0 0 0 3.9304 -2.9956 -0.0936 N 0 0 0 0 0 0 0 0 0 5.2784 -2.8115 -0.1543 C 0 0 0 0 0 0 0 0 0 7.2205 -1.3875 -0.1827 C 0 0 0 0 0 0 0 0 0 8.0389 -2.5061 -0.2722 C 0 0 0 0 0 0 0 0 0 6.0997 -3.9275 -0.2443 C 0 0 0 0 0 0 0 0 0 7.4789 -3.7765 -0.3044 C 0 0 0 0 0 0 0 0 0 5.0755 0.5167 -1.1537 O 0 0 0 0 0 0 0 0 0 -0.9146 1.8877 0.0212 H 0 0 0 0 0 0 0 0 0 1.1476 3.1781 -0.0012 H 0 0 0 0 0 0 0 0 0 -0.8399 -0.5667 0.0053 H 0 0 0 0 0 0 0 0 0 3.3198 2.0505 -0.0356 H 0 0 0 0 0 0 0 0 0 5.1443 0.1986 0.8783 H 0 0 0 0 0 0 0 0 0 7.6515 -0.4301 -0.1568 H 0 0 0 0 0 0 0 0 0 9.0825 -2.3920 -0.3158 H 0 0 0 0 0 0 0 0 0 5.6736 -4.8872 -0.2670 H 0 0 0 0 0 0 0 0 0 8.0972 -4.6230 -0.3740 H 0 0 0 0 0 0 0 0 0 5.9607 0.8593 -1.1798 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 2 4 2 0 0 0 0 2 21 1 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 10 19 1 6 0 0 0 10 12 1 0 0 0 0 10 24 1 1 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END > 292147 > K $$$$ 292684 1016 111283D 292684 38 38 0 1 V2000 5.7055 -5.9604 -6.8435 C 0 0 0 0 0 0 0 0 0 4.6601 -5.6404 -5.7725 C 0 0 0 0 0 0 0 0 0 7.0469 -5.3040 -6.5066 C 0 0 0 0 0 0 0 0 0 7.5319 -5.7486 -5.1239 C 0 0 0 0 0 0 0 0 0 5.1572 -6.0699 -4.3911 C 0 0 0 0 0 0 0 0 0 6.4916 -5.3966 -4.0560 C 0 0 0 0 0 0 0 0 0 6.6086 -5.2732 -1.5708 C 0 0 0 0 0 0 0 0 0 7.1597 -5.7426 -0.6049 O 0 0 0 0 0 0 0 0 0 5.7511 -4.2282 -1.3796 N 0 0 0 0 0 0 0 0 0 5.0678 -3.7597 -2.3202 N 0 0 0 0 0 0 0 0 0 4.2566 -2.8248 -2.1439 O 0 0 0 0 0 0 0 0 0 8.2116 -2.7185 -0.2840 S 0 0 0 0 0 0 0 0 0 9.9795 -2.7624 -4.2840 Cl 0 0 0 0 0 0 0 0 0 6.9154 -5.8568 -2.7613 N 0 0 0 0 0 0 0 0 0 5.6211 -3.6431 -0.0701 C 0 0 0 0 0 0 0 0 0 6.4530 -2.3639 0.0147 C 0 0 0 0 0 0 0 0 0 8.4795 -2.3659 -2.0471 C 0 0 0 0 0 0 0 0 0 9.6896 -3.1461 -2.5486 C 0 0 0 0 0 0 0 0 0 5.8382 -7.0316 -6.9037 H 0 0 0 0 0 0 0 0 0 5.3583 -5.6007 -7.8015 H 0 0 0 0 0 0 0 0 0 4.4649 -4.5772 -5.7660 H 0 0 0 0 0 0 0 0 0 3.7404 -6.1602 -6.0005 H 0 0 0 0 0 0 0 0 0 7.7792 -5.5801 -7.2518 H 0 0 0 0 0 0 0 0 0 6.9315 -4.2289 -6.5174 H 0 0 0 0 0 0 0 0 0 7.7008 -6.8160 -5.1303 H 0 0 0 0 0 0 0 0 0 8.4634 -5.2518 -4.8945 H 0 0 0 0 0 0 0 0 0 4.4166 -5.8084 -3.6498 H 0 0 0 0 0 0 0 0 0 5.2877 -7.1430 -4.3766 H 0 0 0 0 0 0 0 0 0 6.3858 -4.3214 -4.0757 H 0 0 0 0 0 0 0 0 0 7.4681 -6.6525 -2.7150 H 0 0 0 0 0 0 0 0 0 4.5828 -3.4011 0.1133 H 0 0 0 0 0 0 0 0 0 5.9465 -4.3263 0.7032 H 0 0 0 0 0 0 0 0 0 6.3471 -1.9422 1.0035 H 0 0 0 0 0 0 0 0 0 6.0996 -1.6488 -0.7146 H 0 0 0 0 0 0 0 0 0 7.6093 -2.6526 -2.6193 H 0 0 0 0 0 0 0 0 0 8.6540 -1.3069 -2.1723 H 0 0 0 0 0 0 0 0 0 9.5076 -4.2057 -2.4430 H 0 0 0 0 0 0 0 0 0 10.5622 -2.8753 -1.9722 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 5 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 M END > 292684 > K $$$$ 293015 1016 111283D 293015 53 55 0 1 V2000 10.8767 1.8216 5.4908 N 0 0 0 0 0 0 0 0 0 8.1221 -0.1443 3.9417 O 0 0 0 0 0 0 0 0 0 6.9505 0.4086 4.2931 C 0 0 0 0 0 0 0 0 0 6.6469 0.0608 1.0499 C 0 0 0 0 0 0 0 0 0 7.3058 0.0472 -0.1709 C 0 0 0 0 0 0 0 0 0 6.5746 0.3499 5.4398 O 0 0 0 0 0 0 0 0 0 8.1521 1.0783 -0.5153 C 0 0 0 0 0 0 0 0 0 6.8275 1.1022 1.9351 C 0 0 0 0 0 0 0 0 0 7.6769 2.1518 1.6068 C 0 0 0 0 0 0 0 0 0 8.3430 2.1369 0.3712 C 0 0 0 0 0 0 0 0 0 7.8677 3.1801 2.4592 O 0 0 0 0 0 0 0 0 0 9.2408 3.2619 0.0423 C 0 0 0 0 0 0 0 0 0 9.8452 3.3025 -1.0164 O 0 0 0 0 0 0 0 0 0 8.6810 4.2081 2.1728 C 0 0 0 0 0 0 0 0 0 9.3719 4.2911 1.0040 C 0 0 0 0 0 0 0 0 0 11.4502 3.0921 5.0272 C 0 0 0 0 0 0 0 0 0 12.3587 2.8326 3.8238 C 0 0 0 0 0 0 0 0 0 10.4168 2.0438 6.8683 C 0 0 0 0 0 0 0 0 0 11.5694 1.7802 7.8394 C 0 0 0 0 0 0 0 0 0 9.6766 1.5791 4.6791 C 0 0 0 0 0 0 0 0 0 9.3079 0.0956 4.7446 C 0 0 0 0 0 0 0 0 0 6.1041 1.1024 3.2572 C 0 0 0 0 0 0 0 0 0 8.8312 5.2919 3.1645 C 0 0 0 0 0 0 0 0 0 9.6700 6.3759 2.8970 C 0 0 0 0 0 0 0 0 0 9.8058 7.3849 3.8280 C 0 0 0 0 0 0 0 0 0 9.1133 7.3246 5.0242 C 0 0 0 0 0 0 0 0 0 8.2803 6.2532 5.2958 C 0 0 0 0 0 0 0 0 0 8.1307 5.2403 4.3719 C 0 0 0 0 0 0 0 0 0 5.9823 -0.7505 1.3077 H 0 0 0 0 0 0 0 0 0 7.1547 -0.7755 -0.8541 H 0 0 0 0 0 0 0 0 0 8.6648 1.0663 -1.4659 H 0 0 0 0 0 0 0 0 0 10.0162 5.1363 0.8118 H 0 0 0 0 0 0 0 0 0 10.6466 3.7689 4.7365 H 0 0 0 0 0 0 0 0 0 12.0320 3.5430 5.8311 H 0 0 0 0 0 0 0 0 0 12.7842 3.7752 3.4798 H 0 0 0 0 0 0 0 0 0 13.1622 2.1559 4.1145 H 0 0 0 0 0 0 0 0 0 11.7768 2.3817 3.0199 H 0 0 0 0 0 0 0 0 0 10.0789 3.0744 6.9766 H 0 0 0 0 0 0 0 0 0 9.5926 1.3659 7.0899 H 0 0 0 0 0 0 0 0 0 12.4323 2.3805 7.5508 H 0 0 0 0 0 0 0 0 0 11.2616 2.0488 8.8499 H 0 0 0 0 0 0 0 0 0 11.8354 0.7236 7.8094 H 0 0 0 0 0 0 0 0 0 8.8503 2.1762 5.0648 H 0 0 0 0 0 0 0 0 0 9.8751 1.8588 3.6445 H 0 0 0 0 0 0 0 0 0 9.1089 -0.1841 5.7791 H 0 0 0 0 0 0 0 0 0 10.1344 -0.5015 4.3593 H 0 0 0 0 0 0 0 0 0 5.1549 0.5769 3.1521 H 0 0 0 0 0 0 0 0 0 5.9177 2.1301 3.5691 H 0 0 0 0 0 0 0 0 0 10.2114 6.4241 1.9638 H 0 0 0 0 0 0 0 0 0 10.4543 8.2237 3.6226 H 0 0 0 0 0 0 0 0 0 9.2234 8.1171 5.7497 H 0 0 0 0 0 0 0 0 0 7.7427 6.2125 6.2316 H 0 0 0 0 0 0 0 0 0 7.4770 4.4071 4.5831 H 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 6 2 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 7 10 2 0 0 0 0 7 31 1 0 0 0 0 8 22 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 14 23 1 0 0 0 0 14 15 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 M END > 293015 > K $$$$ 293927 1016 111283D 293927 33 36 0 1 V2000 -2.9653 -6.0963 4.8172 C 0 0 0 0 0 0 0 0 0 -2.9562 -7.4643 5.0409 C 0 0 0 0 0 0 0 0 0 -2.0481 -5.5276 3.9599 C 0 0 0 0 0 0 0 0 0 -2.0329 -8.2730 4.4115 C 0 0 0 0 0 0 0 0 0 -1.1105 -6.3354 3.3180 C 0 0 0 0 0 0 0 0 0 -1.1001 -7.7185 3.5440 C 0 0 0 0 0 0 0 0 0 -0.0858 -4.5554 2.1667 O 0 0 0 0 0 0 0 0 0 -0.1152 -5.7540 2.3930 C 0 0 0 0 0 0 0 0 0 -0.1927 -8.5045 2.9241 O 0 0 0 0 0 0 0 0 0 0.8033 -6.6401 1.7794 C 0 0 0 0 0 0 0 0 0 0.7272 -8.0152 2.0779 C 0 0 0 0 0 0 0 0 0 1.8190 -6.1344 0.8497 C 0 0 0 0 0 0 0 0 0 1.6503 -4.7454 -0.1900 S 0 0 0 0 0 0 0 0 0 1.5163 -8.7806 1.5525 O 0 0 0 0 0 0 0 0 0 3.0718 -6.6723 0.6528 C 0 0 0 0 0 0 0 0 0 3.5501 -4.8700 -1.0603 S 0 0 0 0 0 0 0 0 0 4.0792 -6.2784 -0.1803 C 0 0 0 0 0 0 0 0 0 5.3974 -6.9351 -0.3126 C 0 0 0 0 0 0 0 0 0 5.6216 -8.1810 0.2745 C 0 0 0 0 0 0 0 0 0 6.8540 -8.7884 0.1474 C 0 0 0 0 0 0 0 0 0 7.8660 -8.1650 -0.5602 C 0 0 0 0 0 0 0 0 0 7.6503 -6.9293 -1.1444 C 0 0 0 0 0 0 0 0 0 6.4210 -6.3142 -1.0301 C 0 0 0 0 0 0 0 0 0 -3.6961 -5.4746 5.3131 H 0 0 0 0 0 0 0 0 0 -3.6787 -7.9011 5.7144 H 0 0 0 0 0 0 0 0 0 -2.0558 -4.4617 3.7859 H 0 0 0 0 0 0 0 0 0 -2.0349 -9.3376 4.5934 H 0 0 0 0 0 0 0 0 0 3.2921 -7.5431 1.2525 H 0 0 0 0 0 0 0 0 0 4.8323 -8.6685 0.8275 H 0 0 0 0 0 0 0 0 0 7.0289 -9.7525 0.6017 H 0 0 0 0 0 0 0 0 0 8.8288 -8.6447 -0.6568 H 0 0 0 0 0 0 0 0 0 8.4448 -6.4476 -1.6950 H 0 0 0 0 0 0 0 0 0 6.2522 -5.3521 -1.4910 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 24 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 5 2 0 0 0 0 3 26 1 0 0 0 0 4 6 2 0 0 0 0 4 27 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 23 2 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 M END > 293927 > K $$$$ 294577 1016 111283D 294577 52 54 1 1 V2000 0.3051 1.4759 -0.3394 C 0 0 0 0 0 0 0 0 0 1.7342 2.0120 -0.3326 C 0 0 0 0 0 0 0 0 0 0.3201 -0.0535 -0.3402 C 0 0 0 0 0 0 0 0 0 2.5488 1.5338 -1.5446 C 0 0 0 0 0 0 0 0 0 1.0542 -0.6681 -1.5483 C 0 0 1 0 0 0 0 0 0 2.4584 -0.0107 -1.6407 C 0 0 1 0 0 0 0 0 0 -0.7787 -2.5142 -0.1925 O 0 0 0 0 0 0 0 0 0 0.2197 -3.0135 -0.6540 C 0 0 0 0 0 0 0 0 0 3.2088 -0.5854 -2.8475 C 0 0 0 0 0 0 0 0 0 1.2325 -2.1748 -1.4014 C 0 0 0 0 0 0 0 0 0 2.2960 -2.8034 -1.9365 C 0 0 0 0 0 0 0 0 0 3.3536 -2.1018 -2.7495 C 0 0 1 0 0 0 0 0 0 0.4214 -4.4968 -0.4592 C 0 0 0 0 0 0 0 0 0 1.4997 -5.1011 -0.9762 C 0 0 0 0 0 0 0 0 0 2.4937 -4.2797 -1.7442 C 0 0 0 0 0 0 0 0 0 3.4724 -4.8064 -2.2177 O 0 0 0 0 0 0 0 0 0 2.1195 2.2909 -2.8114 C 0 0 0 0 0 0 0 0 0 4.0016 1.9604 -1.2702 C 0 0 0 0 0 0 0 0 0 0.1558 -0.5208 -2.7888 C 0 0 0 0 0 0 0 0 0 -0.4758 -5.2467 0.2376 O 0 0 0 0 0 0 0 0 0 3.3367 -2.5803 -4.0766 O 0 0 0 0 0 0 0 0 0 1.7163 -6.5836 -0.7925 C 0 0 0 0 0 0 0 0 0 1.7186 -7.2992 -2.1444 C 0 0 0 0 0 0 0 0 0 3.0115 -6.8629 -0.0272 C 0 0 0 0 0 0 0 0 0 -0.2024 1.8216 0.5499 H 0 0 0 0 0 0 0 0 0 -0.2308 1.8490 -1.1995 H 0 0 0 0 0 0 0 0 0 1.7063 3.0926 -0.3070 H 0 0 0 0 0 0 0 0 0 2.2081 1.6675 0.5765 H 0 0 0 0 0 0 0 0 0 0.7936 -0.3896 0.5717 H 0 0 0 0 0 0 0 0 0 -0.7125 -0.3698 -0.3234 H 0 0 0 0 0 0 0 0 0 2.9877 -0.3621 -0.7641 H 0 0 0 0 0 0 0 0 0 2.6783 -0.3415 -3.7554 H 0 0 0 0 0 0 0 0 0 4.2015 -0.1709 -2.9307 H 0 0 0 0 0 0 0 0 0 4.3098 -2.3177 -2.2909 H 0 0 0 0 0 0 0 0 0 2.2858 3.3507 -2.6802 H 0 0 0 0 0 0 0 0 0 2.6984 1.9625 -3.6620 H 0 0 0 0 0 0 0 0 0 1.0745 2.1558 -3.0283 H 0 0 0 0 0 0 0 0 0 4.0508 3.0237 -1.0816 H 0 0 0 0 0 0 0 0 0 4.3899 1.4432 -0.4044 H 0 0 0 0 0 0 0 0 0 4.6373 1.7448 -2.1159 H 0 0 0 0 0 0 0 0 0 -0.7775 -1.0411 -2.6254 H 0 0 0 0 0 0 0 0 0 -0.0859 0.5071 -2.9950 H 0 0 0 0 0 0 0 0 0 0.6235 -0.9498 -3.6624 H 0 0 0 0 0 0 0 0 0 -1.1843 -4.6905 0.5494 H 0 0 0 0 0 0 0 0 0 3.6382 -3.4849 -4.0965 H 0 0 0 0 0 0 0 0 0 0.9045 -6.9971 -0.2100 H 0 0 0 0 0 0 0 0 0 0.7832 -7.1184 -2.6544 H 0 0 0 0 0 0 0 0 0 2.5318 -6.9443 -2.7610 H 0 0 0 0 0 0 0 0 0 1.8328 -8.3632 -1.9946 H 0 0 0 0 0 0 0 0 0 2.9811 -6.3711 0.9343 H 0 0 0 0 0 0 0 0 0 3.1197 -7.9266 0.1296 H 0 0 0 0 0 0 0 0 0 3.8672 -6.5048 -0.5809 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 1 1 0 0 0 5 6 1 0 0 0 0 5 19 1 6 0 0 0 6 9 1 6 0 0 0 6 31 1 1 0 0 0 7 8 2 0 0 0 0 8 13 1 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 11 15 1 0 0 0 0 11 12 1 0 0 0 0 12 21 1 6 0 0 0 12 34 1 1 0 0 0 13 20 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M END > 294577 > K $$$$ 295156 1016 111283D 295156 17 17 0 1 V2000 -0.0514 1.4766 -0.0012 C 0 0 0 0 0 0 0 0 0 1.1120 2.1118 0.1949 C 0 0 0 0 0 0 0 0 0 2.4455 1.4077 0.1301 C 0 0 0 0 0 0 0 0 0 -0.0652 0.0114 -0.3008 C 0 0 0 0 0 0 0 0 0 -1.1089 -0.5699 -0.4760 O 0 0 0 0 0 0 0 0 0 2.3894 -0.0706 -0.1805 C 0 0 0 0 0 0 0 0 0 1.2357 -0.7225 -0.3798 C 0 0 0 0 0 0 0 0 0 3.1478 2.0604 -0.9018 O 0 0 0 0 0 0 0 0 0 3.1871 1.6234 1.4499 C 0 0 0 0 0 0 0 0 0 -0.9588 2.0018 0.0537 H 0 0 0 0 0 0 0 0 0 1.0982 3.1415 0.4006 H 0 0 0 0 0 0 0 0 0 3.2895 -0.6077 -0.2434 H 0 0 0 0 0 0 0 0 0 1.2360 -1.7505 -0.5926 H 0 0 0 0 0 0 0 0 0 4.0272 1.7051 -0.9810 H 0 0 0 0 0 0 0 0 0 4.1743 1.1893 1.3914 H 0 0 0 0 0 0 0 0 0 3.2871 2.6812 1.6437 H 0 0 0 0 0 0 0 0 0 2.6462 1.1625 2.2635 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 M END > 295156 > K $$$$ 296961 1016 111283D 296961 27 26 0 1 V2000 0.1350 2.3202 -0.8659 S 0 0 0 0 0 0 0 0 0 -1.0965 2.1249 0.3507 P 0 0 0 0 0 0 0 0 0 -2.4922 1.6317 0.5006 O 0 0 0 0 0 0 0 0 0 -2.2682 4.6975 0.0591 N 0 0 0 0 0 0 0 0 0 -1.9495 6.0763 -0.2922 C 0 0 0 0 0 0 0 0 0 -0.8170 6.6193 0.5843 C 0 0 0 0 0 0 0 0 0 0.5701 6.1140 0.2039 C 0 0 0 0 0 0 0 0 0 0.6975 4.7012 0.5180 N 0 0 0 0 0 0 0 0 0 1.9196 4.1533 -0.0451 C 0 0 0 0 0 0 0 0 0 1.7266 2.6508 -0.0228 C 0 0 0 0 0 0 0 0 0 -0.9982 2.4359 1.8864 O 0 0 0 0 0 0 0 0 0 -2.2984 1.5178 -0.4423 O 0 0 0 0 0 0 0 0 0 -2.4506 4.6302 1.0447 H 0 0 0 0 0 0 0 0 0 -3.1190 4.3928 -0.3883 H 0 0 0 0 0 0 0 0 0 -1.6631 6.1656 -1.3347 H 0 0 0 0 0 0 0 0 0 -2.8105 6.7171 -0.1327 H 0 0 0 0 0 0 0 0 0 -0.7958 7.6946 0.4603 H 0 0 0 0 0 0 0 0 0 -1.0131 6.4042 1.6251 H 0 0 0 0 0 0 0 0 0 0.7132 6.2862 -0.8550 H 0 0 0 0 0 0 0 0 0 1.3187 6.6823 0.7406 H 0 0 0 0 0 0 0 0 0 0.5444 4.5041 1.4980 H 0 0 0 0 0 0 0 0 0 2.0344 4.4627 -1.0772 H 0 0 0 0 0 0 0 0 0 2.8027 4.4504 0.5074 H 0 0 0 0 0 0 0 0 0 1.6858 2.3143 1.0038 H 0 0 0 0 0 0 0 0 0 2.5466 2.1656 -0.5324 H 0 0 0 0 0 0 0 0 0 -1.8039 1.9735 2.0743 H 0 0 0 0 0 0 0 0 0 -2.0090 1.5975 -1.3064 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 3 2 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 M END > 296961 > K $$$$ 299879 1016 111283D 299879 26 27 0 2 V2000 0.0101 1.3913 0.0110 O 0 0 0 0 0 0 0 0 0 -1.1867 -0.6677 0.0143 C 0 0 0 0 0 0 0 0 0 0.0231 0.0258 0.0040 C 0 0 0 0 0 0 0 0 0 1.2115 -0.6993 -0.0134 C 0 0 0 0 0 0 0 0 0 -1.1859 -2.0581 0.0068 C 0 0 0 0 0 0 0 0 0 1.2139 -2.0860 -0.0207 C 0 0 0 0 0 0 0 0 0 0.0048 -2.7740 -0.0107 C 0 0 0 0 0 0 0 0 0 2.4312 -2.6992 -0.0375 O 0 0 0 0 0 0 0 0 0 0.0272 -4.2799 -0.0193 C 0 0 0 0 0 0 0 0 0 2.4655 -4.0617 -0.0444 C 0 0 0 0 0 0 0 0 0 1.2181 -4.8921 -0.0354 C 0 0 0 0 0 0 0 0 0 3.5362 -4.6182 -0.0584 O 0 0 0 0 0 0 0 0 0 -2.3931 -0.0337 0.0318 N 0 3 0 0 0 0 0 0 0 -3.4523 -0.6999 0.0413 O 0 0 0 0 0 0 0 0 0 -2.5173 1.4172 0.0404 O 0 5 0 0 0 0 0 0 0 1.2167 2.1294 0.0010 C 0 0 0 0 0 0 0 0 0 -1.2421 -5.0865 -0.0104 C 0 0 0 0 0 0 0 0 0 2.1362 -0.2052 -0.0213 H 0 0 0 0 0 0 0 0 0 -2.1017 -2.5714 0.0145 H 0 0 0 0 0 0 0 0 0 1.2933 -5.9390 -0.0417 H 0 0 0 0 0 0 0 0 0 1.8073 1.9111 0.8794 H 0 0 0 0 0 0 0 0 0 1.7873 1.9202 -0.8927 H 0 0 0 0 0 0 0 0 0 0.9701 3.1813 0.0091 H 0 0 0 0 0 0 0 0 0 -1.0293 -6.1460 -0.0178 H 0 0 0 0 0 0 0 0 0 -1.8110 -4.8541 0.8780 H 0 0 0 0 0 0 0 0 0 -1.8288 -4.8454 -0.8848 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 2 3 2 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 4 18 1 0 0 0 0 5 7 2 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 17 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 11 1 0 0 0 0 11 20 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 M CHG 2 13 1 15 -1 M END > 299879 > K $$$$ 302358 1016 111283D 302358 37 39 0 2 V2000 5.4661 -3.8233 -0.9139 C 0 0 0 0 0 0 0 0 0 4.3662 -3.2135 -0.3248 C 0 0 0 0 0 0 0 0 0 5.3055 -4.7355 -1.9469 C 0 0 0 0 0 0 0 0 0 3.0772 -3.5054 -0.7590 C 0 0 0 0 0 0 0 0 0 0.9622 0.2965 3.2492 C 0 0 0 0 0 0 0 0 0 0.5819 0.1119 4.7208 C 0 0 0 0 0 0 0 0 0 4.0180 -5.0303 -2.3840 C 0 0 0 0 0 0 0 0 0 2.9171 -4.4211 -1.7958 C 0 0 0 0 0 0 0 0 0 1.8975 -2.8274 -0.1003 C 0 0 0 0 0 0 0 0 0 0.4281 -1.2390 1.5256 C 0 0 0 0 0 0 0 0 0 -0.8784 0.5039 4.9511 C 0 0 0 0 0 0 0 0 0 0.6208 -3.0483 -0.4479 C 0 0 0 0 0 0 0 0 0 -1.3877 -0.1339 2.5717 C 0 0 0 0 0 0 0 0 0 -1.7885 -0.3191 4.0382 C 0 0 0 0 0 0 0 0 0 0.0277 -0.4141 2.3924 N 0 3 0 0 0 0 0 0 0 2.1353 -1.6508 1.2250 S 0 0 0 0 0 0 0 0 0 -0.6420 -2.1518 0.4347 S 0 0 0 0 0 0 0 0 0 6.4496 -5.2763 -2.4558 O 0 0 0 0 0 0 0 0 0 6.3453 -6.2160 -3.5079 C 0 0 0 0 0 0 0 0 0 6.4357 -3.5971 -0.5797 H 0 0 0 0 0 0 0 0 0 4.5251 -2.5281 0.4542 H 0 0 0 0 0 0 0 0 0 0.9345 1.3529 3.0128 H 0 0 0 0 0 0 0 0 0 1.9889 -0.0272 3.1422 H 0 0 0 0 0 0 0 0 0 0.7185 -0.9248 4.9965 H 0 0 0 0 0 0 0 0 0 1.2226 0.7210 5.3430 H 0 0 0 0 0 0 0 0 0 3.8658 -5.7164 -3.1630 H 0 0 0 0 0 0 0 0 0 1.9630 -4.6691 -2.1535 H 0 0 0 0 0 0 0 0 0 -1.1423 0.3201 5.9835 H 0 0 0 0 0 0 0 0 0 -1.0106 1.5572 4.7453 H 0 0 0 0 0 0 0 0 0 0.3544 -3.7203 -1.2088 H 0 0 0 0 0 0 0 0 0 -2.0406 -0.7641 1.9815 H 0 0 0 0 0 0 0 0 0 -1.5912 0.8902 2.2843 H 0 0 0 0 0 0 0 0 0 -1.7025 -1.3646 4.3008 H 0 0 0 0 0 0 0 0 0 -2.8154 -0.0116 4.1794 H 0 0 0 0 0 0 0 0 0 5.7798 -7.0812 -3.1920 H 0 0 0 0 0 0 0 0 0 5.8814 -5.7680 -4.3752 H 0 0 0 0 0 0 0 0 0 7.3394 -6.5389 -3.7808 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 2 4 2 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 7 1 0 0 0 0 4 9 1 0 0 0 0 4 8 1 0 0 0 0 5 15 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 9 16 1 0 0 0 0 9 12 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 15 2 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 M CHG 1 15 1 M END > 302358 > K $$$$ 302979 1016 111283D 302979 57 59 1 1 V2000 0.1610 1.1915 0.6580 O 0 0 0 0 0 0 0 0 0 0.4197 2.4045 2.7196 C 0 0 0 0 0 0 0 0 0 0.2931 1.0273 2.0590 C 0 0 1 0 0 0 0 0 0 0.6331 2.2417 4.2189 C 0 0 0 0 0 0 0 0 0 -0.9447 0.2727 2.5884 C 0 0 0 0 0 0 0 0 0 -0.4658 1.4516 4.9569 C 0 0 2 0 0 0 0 0 0 -0.9145 0.1899 4.1473 C 0 0 1 0 0 0 0 0 0 -1.9480 -0.7442 4.8386 C 0 0 0 0 0 0 0 0 0 -1.5737 2.3499 5.4741 C 0 0 0 0 0 0 0 0 0 -2.0887 2.0687 6.5300 O 0 0 0 0 0 0 0 0 0 -2.0935 3.5811 4.7801 C 0 0 0 0 0 0 0 0 0 -3.4773 -0.6622 4.6849 C 0 0 1 0 0 0 0 0 0 -4.0522 0.6455 5.1404 C 0 0 0 0 0 0 0 0 0 -3.4813 4.0203 5.2817 C 0 0 0 0 0 0 0 0 0 -4.1776 1.7661 4.4199 C 0 0 0 0 0 0 0 0 0 -4.6146 2.9787 5.2029 C 0 0 1 0 0 0 0 0 0 -4.9465 2.3436 6.5292 C 0 0 0 0 0 0 0 0 0 -4.5802 0.9014 6.5028 C 0 0 0 0 0 0 0 0 0 -4.6898 0.0969 7.3979 O 0 0 0 0 0 0 0 0 0 1.2538 1.6944 0.0238 C 0 0 0 0 0 0 0 0 0 2.2982 1.8603 0.6075 O 0 0 0 0 0 0 0 0 0 1.1544 2.0501 -1.4239 C 0 0 0 0 0 0 0 0 0 -2.1609 0.9348 1.9241 C 0 0 0 0 0 0 0 0 0 0.2515 1.0127 6.2532 C 0 0 0 0 0 0 0 0 0 -0.8966 -1.1476 1.9963 C 0 0 0 0 0 0 0 0 0 -3.8900 -1.0251 3.3875 O 0 0 0 0 0 0 0 0 0 -5.4907 2.9753 7.5765 C 0 0 0 0 0 0 0 0 0 1.2828 2.9182 2.3240 H 0 0 0 0 0 0 0 0 0 -0.4433 3.0122 2.5047 H 0 0 0 0 0 0 0 0 0 1.1807 0.4467 2.2792 H 0 0 0 0 0 0 0 0 0 1.5770 1.7210 4.3117 H 0 0 0 0 0 0 0 0 0 0.7574 3.2172 4.6676 H 0 0 0 0 0 0 0 0 0 -0.0230 -0.4127 4.2618 H 0 0 0 0 0 0 0 0 0 -1.7072 -1.7507 4.5276 H 0 0 0 0 0 0 0 0 0 -1.7637 -0.7163 5.9009 H 0 0 0 0 0 0 0 0 0 -1.3953 4.3870 4.9507 H 0 0 0 0 0 0 0 0 0 -2.1589 3.4098 3.7201 H 0 0 0 0 0 0 0 0 0 -3.8760 -1.4135 5.3551 H 0 0 0 0 0 0 0 0 0 -3.3847 4.3647 6.3018 H 0 0 0 0 0 0 0 0 0 -3.7758 4.8692 4.6814 H 0 0 0 0 0 0 0 0 0 -3.9857 1.8169 3.3957 H 0 0 0 0 0 0 0 0 0 -5.5073 3.4107 4.7731 H 0 0 0 0 0 0 0 0 0 0.6086 1.2805 -1.9479 H 0 0 0 0 0 0 0 0 0 0.6307 2.9900 -1.5126 H 0 0 0 0 0 0 0 0 0 2.1454 2.1471 -1.8406 H 0 0 0 0 0 0 0 0 0 -2.0508 0.9294 0.8491 H 0 0 0 0 0 0 0 0 0 -3.0686 0.4012 2.1335 H 0 0 0 0 0 0 0 0 0 -2.2653 1.9597 2.2297 H 0 0 0 0 0 0 0 0 0 1.0767 0.3505 6.0327 H 0 0 0 0 0 0 0 0 0 0.6418 1.8757 6.7752 H 0 0 0 0 0 0 0 0 0 -0.4172 0.5006 6.9286 H 0 0 0 0 0 0 0 0 0 -0.8277 -1.1087 0.9182 H 0 0 0 0 0 0 0 0 0 -0.0402 -1.6888 2.3719 H 0 0 0 0 0 0 0 0 0 -1.7915 -1.6957 2.2545 H 0 0 0 0 0 0 0 0 0 -4.8376 -1.1201 3.3754 H 0 0 0 0 0 0 0 0 0 -5.6869 2.4478 8.4635 H 0 0 0 0 0 0 0 0 0 -5.7228 3.9977 7.5159 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 20 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 5 1 6 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 1 0 0 0 6 7 1 6 0 0 0 6 24 1 0 0 0 0 7 8 1 6 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 26 1 0 0 0 0 12 13 1 1 0 0 0 12 38 1 6 0 0 0 13 18 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 6 0 0 0 16 42 1 1 0 0 0 17 18 1 0 0 0 0 17 27 2 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 M END > 302979 > K $$$$ 304910 1016 111283D 304910 42 45 0 1 V2000 0.0657 1.2733 0.2396 C 0 0 0 0 0 0 0 0 0 0.2412 -0.1033 0.2410 C 0 0 0 0 0 0 0 0 0 1.7178 -7.9845 0.2200 C 0 0 0 0 0 0 0 0 0 1.1483 2.1362 0.0951 C 0 0 0 0 0 0 0 0 0 1.5072 -0.6562 0.0994 C 0 0 0 0 0 0 0 0 0 2.7339 -4.3490 0.0189 C 0 0 0 0 0 0 0 0 0 2.2055 -6.6898 0.1334 C 0 0 0 0 0 0 0 0 0 2.6183 -9.0387 0.1308 C 0 0 0 0 0 0 0 0 0 2.4142 1.5727 -0.0492 C 0 0 0 0 0 0 0 0 0 2.5971 0.1948 -0.0464 C 0 0 0 0 0 0 0 0 0 3.5542 -6.4315 -0.0377 C 0 0 0 0 0 0 0 0 0 3.9786 -8.7935 -0.0399 C 0 0 0 0 0 0 0 0 0 4.4576 -7.4843 -0.1263 C 0 0 0 0 0 0 0 0 0 4.8678 -9.8588 -0.1254 C 0 0 0 0 0 0 0 0 0 5.8175 -7.2525 -0.2982 C 0 0 0 0 0 0 0 0 0 6.2257 -9.6235 -0.2953 C 0 0 0 0 0 0 0 0 0 6.7003 -8.3214 -0.3818 C 0 0 0 0 0 0 0 0 0 1.2954 -5.2576 0.2155 S 0 0 0 0 0 0 0 0 0 3.8423 -5.1126 -0.1012 N 0 0 0 0 0 0 0 0 0 0.9643 3.4992 0.0958 N 0 0 0 0 0 0 0 0 0 2.7569 -2.8479 -0.0159 C 0 0 0 0 0 0 0 0 0 1.6138 -2.1588 0.1140 C 0 0 0 0 0 0 0 0 0 -0.3363 4.0761 -0.1522 C 0 0 0 0 0 0 0 0 0 2.0610 4.4041 0.3438 C 0 0 0 0 0 0 0 0 0 -0.9046 1.6554 0.3521 H 0 0 0 0 0 0 0 0 0 -0.5960 -0.7285 0.3509 H 0 0 0 0 0 0 0 0 0 0.6907 -8.1612 0.3500 H 0 0 0 0 0 0 0 0 0 2.2632 -10.0259 0.1934 H 0 0 0 0 0 0 0 0 0 3.2533 2.1918 -0.1651 H 0 0 0 0 0 0 0 0 0 3.5667 -0.1917 -0.1560 H 0 0 0 0 0 0 0 0 0 4.5172 -10.8474 -0.0620 H 0 0 0 0 0 0 0 0 0 6.1821 -6.2691 -0.3656 H 0 0 0 0 0 0 0 0 0 6.8938 -10.4317 -0.3584 H 0 0 0 0 0 0 0 0 0 7.7278 -8.1452 -0.5106 H 0 0 0 0 0 0 0 0 0 3.6749 -2.3559 -0.1423 H 0 0 0 0 0 0 0 0 0 0.7215 -2.6994 0.2355 H 0 0 0 0 0 0 0 0 0 -0.9525 3.9683 0.7294 H 0 0 0 0 0 0 0 0 0 -0.2641 5.1271 -0.3933 H 0 0 0 0 0 0 0 0 0 -0.8143 3.5784 -0.9844 H 0 0 0 0 0 0 0 0 0 2.7037 4.0172 1.1219 H 0 0 0 0 0 0 0 0 0 2.6331 4.5311 -0.5643 H 0 0 0 0 0 0 0 0 0 1.7031 5.3721 0.6654 H 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 2 5 2 0 0 0 0 2 26 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 3 27 1 0 0 0 0 4 20 1 0 0 0 0 4 9 1 0 0 0 0 5 22 1 0 0 0 0 5 10 1 0 0 0 0 6 18 1 0 0 0 0 6 19 2 0 0 0 0 6 21 1 0 0 0 0 7 18 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 19 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END > 304910 > K $$$$ 305782 1016 111283D 305782 34 36 0 1 V2000 0.6864 1.3170 -0.9162 C 0 0 0 0 0 0 0 0 0 0.6928 -0.0604 -0.8163 C 0 0 0 0 0 0 0 0 0 6.3118 4.1346 0.5178 C 0 0 0 0 0 0 0 0 0 3.8627 4.0614 0.2750 C 0 0 0 0 0 0 0 0 0 1.1649 2.0904 0.1344 C 0 0 0 0 0 0 0 0 0 1.1743 -0.6700 0.3277 C 0 0 0 0 0 0 0 0 0 5.0581 4.7804 0.3719 C 0 0 0 0 0 0 0 0 0 2.6709 4.7448 0.1345 C 0 0 0 0 0 0 0 0 0 1.6486 1.4741 1.2825 C 0 0 0 0 0 0 0 0 0 1.6510 0.0967 1.3758 C 0 0 0 0 0 0 0 0 0 7.3311 6.2134 0.5539 C 0 0 0 0 0 0 0 0 0 5.0329 6.1955 0.3245 C 0 0 0 0 0 0 0 0 0 2.6536 6.1419 0.0889 C 0 0 0 0 0 0 0 0 0 3.8074 6.8599 0.1812 C 0 0 0 0 0 0 0 0 0 0.2824 -2.2546 -1.6228 F 0 0 0 0 0 0 0 0 0 0.1741 -0.9000 -1.9551 C 0 0 0 0 0 0 0 0 0 -1.1678 -0.5842 -2.1938 F 0 0 0 0 0 0 0 0 0 0.9261 -0.6407 -3.1060 F 0 0 0 0 0 0 0 0 0 1.1592 3.8481 0.0111 S 0 0 0 0 0 0 0 0 0 6.1928 6.8650 0.4194 N 0 0 0 0 0 0 0 0 0 7.3995 4.8856 0.6033 N 0 0 0 0 0 0 0 0 0 6.3961 2.7593 0.5760 N 0 0 0 0 0 0 0 0 0 8.5043 6.9415 0.6488 N 0 0 0 0 0 0 0 0 0 0.3140 1.7924 -1.8117 H 0 0 0 0 0 0 0 0 0 3.8715 2.9819 0.3098 H 0 0 0 0 0 0 0 0 0 1.1778 -1.7473 0.4033 H 0 0 0 0 0 0 0 0 0 2.0215 2.0720 2.1009 H 0 0 0 0 0 0 0 0 0 2.0260 -0.3829 2.2679 H 0 0 0 0 0 0 0 0 0 1.7119 6.6593 -0.0214 H 0 0 0 0 0 0 0 0 0 3.7778 7.9389 0.1444 H 0 0 0 0 0 0 0 0 0 7.2597 2.3303 0.6807 H 0 0 0 0 0 0 0 0 0 5.5916 2.2211 0.5121 H 0 0 0 0 0 0 0 0 0 9.3531 6.4827 0.7489 H 0 0 0 0 0 0 0 0 0 8.4778 7.9105 0.6151 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 2 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 6 1 0 0 0 0 3 22 1 0 0 0 0 3 21 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 4 7 1 0 0 0 0 4 25 1 0 0 0 0 5 19 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 6 26 1 0 0 0 0 7 12 1 0 0 0 0 8 19 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 23 1 0 0 0 0 11 21 2 0 0 0 0 11 20 1 0 0 0 0 12 20 2 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 17 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 M END > 305782 > K $$$$ 305819 1016 111283D 305819 47 48 1 1 V2000 -0.8662 3.9299 3.3060 C 0 0 0 0 0 0 0 0 0 -0.9283 6.2910 2.6242 C 0 0 0 0 0 0 0 0 0 -0.9912 3.0011 4.3337 C 0 0 0 0 0 0 0 0 0 -1.0275 5.2894 3.5882 C 0 0 0 0 0 0 0 0 0 -1.0951 7.6262 2.9635 C 0 0 0 0 0 0 0 0 0 -1.2761 3.4093 5.6287 C 0 0 0 0 0 0 0 0 0 -1.3027 5.6709 4.9028 C 0 0 0 0 0 0 0 0 0 -1.3609 7.9847 4.2762 C 0 0 0 0 0 0 0 0 0 -1.4645 7.0066 5.2595 C 0 0 0 0 0 0 0 0 0 -1.8667 8.7283 6.9078 F 0 0 0 0 0 0 0 0 0 -1.7478 7.3669 6.6993 C 0 0 0 0 0 0 0 0 0 -2.9363 6.7932 7.1068 F 0 0 0 0 0 0 0 0 0 -0.7199 6.9298 7.5119 F 0 0 0 0 0 0 0 0 0 -1.4184 4.7320 5.8681 N 0 0 0 0 0 0 0 0 0 -1.6661 2.9911 7.9570 F 0 0 0 0 0 0 0 0 0 -1.4220 2.3946 6.7354 C 0 0 0 0 0 0 0 0 0 -2.4736 1.5465 6.4459 F 0 0 0 0 0 0 0 0 0 -0.2695 1.6397 6.8417 F 0 0 0 0 0 0 0 0 0 -0.5580 3.3782 1.9281 C 0 0 1 0 0 0 0 0 0 0.7024 2.7429 1.9366 O 0 0 0 0 0 0 0 0 0 -1.6202 2.4118 1.3912 C 0 0 0 0 0 0 0 0 0 -3.0050 3.0523 1.2848 C 0 0 0 0 0 0 0 0 0 -3.5331 3.3295 2.6171 N 0 0 0 0 0 0 0 0 0 -4.7434 4.1344 2.7633 C 0 0 0 0 0 0 0 0 0 -4.9541 4.3528 4.2652 C 0 0 0 0 0 0 0 0 0 -4.5998 5.5086 2.1010 C 0 0 0 0 0 0 0 0 0 -5.9519 3.3934 2.1825 C 0 0 0 0 0 0 0 0 0 -0.7265 6.0708 1.6207 H 0 0 0 0 0 0 0 0 0 -0.8710 1.9769 4.1364 H 0 0 0 0 0 0 0 0 0 -1.0195 8.3686 2.2234 H 0 0 0 0 0 0 0 0 0 -1.4822 9.0005 4.5160 H 0 0 0 0 0 0 0 0 0 -0.4785 4.1628 1.1953 H 0 0 0 0 0 0 0 0 0 0.6856 1.9627 2.4804 H 0 0 0 0 0 0 0 0 0 -1.3106 2.0980 0.4047 H 0 0 0 0 0 0 0 0 0 -1.6783 1.5341 2.0179 H 0 0 0 0 0 0 0 0 0 -2.9176 3.9581 0.7030 H 0 0 0 0 0 0 0 0 0 -3.6660 2.3702 0.7686 H 0 0 0 0 0 0 0 0 0 -3.6061 2.4807 3.1450 H 0 0 0 0 0 0 0 0 0 -4.1002 4.8636 4.6862 H 0 0 0 0 0 0 0 0 0 -5.8395 4.9482 4.4372 H 0 0 0 0 0 0 0 0 0 -5.0707 3.4027 4.7664 H 0 0 0 0 0 0 0 0 0 -4.5025 5.4062 1.0307 H 0 0 0 0 0 0 0 0 0 -5.4732 6.1108 2.3058 H 0 0 0 0 0 0 0 0 0 -3.7274 6.0133 2.4884 H 0 0 0 0 0 0 0 0 0 -6.0526 2.4272 2.6553 H 0 0 0 0 0 0 0 0 0 -6.8549 3.9625 2.3505 H 0 0 0 0 0 0 0 0 0 -5.8245 3.2498 1.1196 H 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 4 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 28 1 0 0 0 0 3 6 2 0 0 0 0 3 29 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 30 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 14 2 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 1 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END > 305819 > K $$$$ 305884 1016 111283D 305884 45 48 0 1 V2000 1.2442 1.8951 0.6178 N 0 0 0 0 0 0 0 0 0 5.9301 0.7368 -0.0106 N 0 0 0 0 0 0 0 0 0 5.9605 -0.1450 -0.4099 H 0 0 0 0 0 0 0 0 0 6.6205 2.6478 0.8706 N 0 0 0 0 0 0 0 0 0 3.8653 -4.9723 0.0709 C 0 0 0 0 0 0 0 0 0 3.2453 -4.0424 0.9011 C 0 0 0 0 0 0 0 0 0 4.4402 -4.5069 -1.1096 C 0 0 0 0 0 0 0 0 0 4.4087 -3.1591 -1.4421 C 0 0 0 0 0 0 0 0 0 3.2001 -2.6958 0.5660 C 0 0 0 0 0 0 0 0 0 3.7845 -2.2397 -0.6102 C 0 0 0 0 0 0 0 0 0 7.0062 1.4772 0.3199 C 0 0 0 0 0 0 0 0 0 4.8303 1.4380 0.3160 C 0 0 0 0 0 0 0 0 0 3.4718 1.1696 0.1845 C 0 0 0 0 0 0 0 0 0 5.2758 2.6193 0.8770 C 0 0 0 0 0 0 0 0 0 2.9650 0.0165 -0.4074 C 0 0 0 0 0 0 0 0 0 1.5924 -0.1956 -0.4336 C 0 0 0 0 0 0 0 0 0 4.3894 3.5738 1.3498 C 0 0 0 0 0 0 0 0 0 2.5776 2.1193 0.6819 C 0 0 0 0 0 0 0 0 0 0.7352 0.7528 0.1046 C 0 0 0 0 0 0 0 0 0 3.0285 3.3073 1.2506 C 0 0 0 0 0 0 0 0 0 -0.7448 0.5195 0.1180 C 0 0 0 0 0 0 0 0 0 3.8985 -6.3030 0.4184 N 0 0 0 0 0 0 0 0 0 4.9425 -7.1098 0.0406 C 0 0 0 0 0 0 0 0 0 5.8897 -6.6512 -0.5508 O 0 0 0 0 0 0 0 0 0 4.9856 -8.5818 0.3278 C 0 0 0 0 0 0 0 0 0 2.8190 -6.8664 1.1992 C 0 0 0 0 0 0 0 0 0 3.7712 -0.9240 -0.9741 N 0 0 0 0 0 0 0 0 0 2.8030 -4.3531 1.8006 H 0 0 0 0 0 0 0 0 0 4.9066 -5.1743 -1.7707 H 0 0 0 0 0 0 0 0 0 4.8597 -2.8338 -2.3324 H 0 0 0 0 0 0 0 0 0 2.7210 -2.0230 1.2132 H 0 0 0 0 0 0 0 0 0 8.0061 1.1868 0.1715 H 0 0 0 0 0 0 0 0 0 1.2063 -1.0729 -0.8620 H 0 0 0 0 0 0 0 0 0 4.7404 4.4695 1.7705 H 0 0 0 0 0 0 0 0 0 2.3318 4.0076 1.6075 H 0 0 0 0 0 0 0 0 0 -1.1464 0.7187 -0.8643 H 0 0 0 0 0 0 0 0 0 -0.9524 -0.5050 0.3902 H 0 0 0 0 0 0 0 0 0 -1.2112 1.1776 0.8361 H 0 0 0 0 0 0 0 0 0 4.8423 -8.7541 1.3836 H 0 0 0 0 0 0 0 0 0 4.2110 -9.0796 -0.2363 H 0 0 0 0 0 0 0 0 0 5.9467 -8.9731 0.0291 H 0 0 0 0 0 0 0 0 0 2.5591 -7.8546 0.8495 H 0 0 0 0 0 0 0 0 0 3.1193 -6.9236 2.2356 H 0 0 0 0 0 0 0 0 0 1.9205 -6.2696 1.1281 H 0 0 0 0 0 0 0 0 0 4.3692 -0.6304 -1.6804 H 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 18 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 3 1 0 0 0 0 4 11 2 0 0 0 0 4 14 1 0 0 0 0 5 22 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 27 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 15 27 1 0 0 0 0 15 16 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END > 305884 > K $$$$ 306864 1016 111283D 306864 153162 1 1 V2000 -3.0326 8.4017 -3.1054 C 0 0 0 0 0 0 0 0 0 -1.6179 8.8525 -3.4809 C 0 0 1 0 0 0 0 0 0 -0.7595 8.9199 -2.2144 C 0 0 0 0 0 0 0 0 0 -2.8554 9.2341 -0.9066 C 0 0 1 0 0 0 0 0 0 -3.7007 9.9729 0.1380 C 0 0 1 0 0 0 0 0 0 -1.4468 9.7820 -1.1558 C 0 0 0 0 0 0 0 0 0 -4.0073 8.8959 1.1761 C 0 0 1 0 0 0 0 0 0 -3.4276 9.4442 3.6187 C 0 0 0 0 0 0 0 0 0 0.0050 4.1276 17.2788 C 0 0 1 0 0 0 0 0 0 4.1980 3.6251 20.2707 C 0 0 1 0 0 0 0 0 0 -1.1229 5.4722 12.2696 C 0 0 1 0 0 0 0 0 0 -3.8935 7.6260 0.3391 C 0 0 2 0 0 0 0 0 0 -3.1084 8.5863 2.3873 C 0 0 1 0 0 0 0 0 0 -2.7653 8.8701 4.8765 C 0 0 0 0 0 0 0 0 0 -3.5770 6.4892 1.3144 C 0 0 0 0 0 0 0 0 0 -3.6382 7.1762 2.6788 C 0 0 1 0 0 0 0 0 0 -3.1264 7.3922 5.1307 C 0 0 1 0 0 0 0 0 0 -2.8413 7.5315 7.6159 C 0 0 0 0 0 0 0 0 0 -3.2921 5.4013 11.3481 C 0 0 1 0 0 0 0 0 0 -1.4743 4.5003 13.3986 C 0 0 1 0 0 0 0 0 0 -0.3685 3.2477 15.0705 C 0 0 1 0 0 0 0 0 0 1.0239 3.0202 17.5820 C 0 0 1 0 0 0 0 0 0 3.3172 2.9739 18.1234 C 0 0 1 0 0 0 0 0 0 5.5834 3.8445 19.6434 C 0 0 1 0 0 0 0 0 0 -2.9571 6.5062 3.8810 C 0 0 1 0 0 0 0 0 0 -2.4037 6.7675 6.3504 C 0 0 1 0 0 0 0 0 0 -2.4526 6.8545 8.9324 C 0 0 0 0 0 0 0 0 0 -3.7619 4.3901 12.3936 C 0 0 1 0 0 0 0 0 0 -2.5739 3.5659 12.8860 C 0 0 1 0 0 0 0 0 0 -3.5935 5.1393 4.1530 C 0 0 0 0 0 0 0 0 0 -2.7557 5.2981 6.5076 C 0 0 0 0 0 0 0 0 0 -3.0672 5.4529 8.9817 C 0 0 1 0 0 0 0 0 0 0.7341 2.2011 15.2513 C 0 0 1 0 0 0 0 0 0 0.7525 1.7810 16.7242 C 0 0 1 0 0 0 0 0 0 4.6799 3.1545 17.4466 C 0 0 1 0 0 0 0 0 0 5.7769 2.8769 18.4747 C 0 0 1 0 0 0 0 0 0 -3.2831 4.5711 5.5099 C 0 0 0 0 0 0 0 0 0 -2.4983 4.6223 7.8334 C 0 0 0 0 0 0 0 0 0 -6.4443 2.2731 14.1856 C 0 0 1 0 0 0 0 0 0 -5.5243 4.4884 13.9787 C 0 0 1 0 0 0 0 0 0 -7.5817 2.6613 13.2302 C 0 0 1 0 0 0 0 0 0 -6.6812 4.9544 13.0817 C 0 0 1 0 0 0 0 0 0 -7.9350 4.1412 13.3985 C 0 0 1 0 0 0 0 0 0 3.1443 3.7052 19.3259 O 0 0 0 0 0 0 0 0 0 2.3221 3.4825 17.2582 O 0 0 0 0 0 0 0 0 0 -5.2994 3.0887 14.0094 O 0 0 0 0 0 0 0 0 0 -0.1843 4.3797 15.8974 O 0 0 0 0 0 0 0 0 0 -0.3255 3.7433 13.7493 O 0 0 0 0 0 0 0 0 0 -2.2459 6.2192 11.8285 O 0 0 0 0 0 0 0 0 0 -4.3331 5.0742 13.5002 O 0 0 0 0 0 0 0 0 0 -2.8045 4.7583 10.1856 O 0 0 0 0 0 0 0 0 0 -2.7987 7.8777 -0.5135 O 0 0 0 0 0 0 0 0 0 -3.5711 9.2699 -2.1252 O 0 0 0 0 0 0 0 0 0 5.6862 5.1676 19.1543 O 0 0 0 0 0 0 0 0 0 4.0870 2.3257 21.0694 C 0 0 0 0 0 0 0 0 0 7.0778 3.0177 17.9398 O 0 0 0 0 0 0 0 0 0 4.8335 2.2500 16.3684 O 0 0 0 0 0 0 0 0 0 -7.1345 2.4525 11.9045 O 0 0 0 0 0 0 0 0 0 -1.3519 3.8835 17.9403 C 0 0 0 0 0 0 0 0 0 1.7357 0.7988 16.9897 O 0 0 0 0 0 0 0 0 0 -6.8546 2.2281 15.6579 C 0 0 0 0 0 0 0 0 0 -9.0077 4.4634 12.5367 O 0 0 0 0 0 0 0 0 0 0.4934 1.0671 14.4395 O 0 0 0 0 0 0 0 0 0 -6.9367 6.3344 13.2643 O 0 0 0 0 0 0 0 0 0 -0.0764 6.4527 12.7933 C 0 0 0 0 0 0 0 0 0 -2.0522 2.7193 11.8792 O 0 0 0 0 0 0 0 0 0 -0.5701 7.1559 13.9162 O 0 0 0 0 0 0 0 0 0 -0.8726 6.8416 6.2185 C 0 0 0 0 0 0 0 0 0 -1.5946 8.6036 2.0922 C 0 0 0 0 0 0 0 0 0 -3.2254 11.3277 0.6688 C 0 0 0 0 0 0 0 0 0 -0.9925 7.9139 -4.5135 C 0 0 0 0 0 0 0 0 0 -3.6631 8.4381 -3.9820 H 0 0 0 0 0 0 0 0 0 -3.0180 7.3838 -2.7392 H 0 0 0 0 0 0 0 0 0 -1.6846 9.8440 -3.9064 H 0 0 0 0 0 0 0 0 0 -0.6221 7.9241 -1.8159 H 0 0 0 0 0 0 0 0 0 0.2089 9.3389 -2.4473 H 0 0 0 0 0 0 0 0 0 -4.6394 10.1734 -0.3598 H 0 0 0 0 0 0 0 0 0 -0.8620 9.7667 -0.2504 H 0 0 0 0 0 0 0 0 0 -1.5201 10.7980 -1.5150 H 0 0 0 0 0 0 0 0 0 -5.0264 9.0198 1.5178 H 0 0 0 0 0 0 0 0 0 -3.0862 10.4573 3.4621 H 0 0 0 0 0 0 0 0 0 -4.4968 9.4685 3.7786 H 0 0 0 0 0 0 0 0 0 0.4055 5.0343 17.7105 H 0 0 0 0 0 0 0 0 0 4.0486 4.4305 20.9759 H 0 0 0 0 0 0 0 0 0 -0.7037 4.9141 11.4434 H 0 0 0 0 0 0 0 0 0 -4.7923 7.4424 -0.2348 H 0 0 0 0 0 0 0 0 0 -1.6975 8.9837 4.7784 H 0 0 0 0 0 0 0 0 0 -3.0857 9.4691 5.7161 H 0 0 0 0 0 0 0 0 0 -4.2981 5.6879 1.2442 H 0 0 0 0 0 0 0 0 0 -2.5851 6.1092 1.1170 H 0 0 0 0 0 0 0 0 0 -4.6885 7.2536 2.9341 H 0 0 0 0 0 0 0 0 0 -4.1859 7.3887 5.3507 H 0 0 0 0 0 0 0 0 0 -2.4205 8.5265 7.6118 H 0 0 0 0 0 0 0 0 0 -3.9187 7.6248 7.6116 H 0 0 0 0 0 0 0 0 0 -4.1482 6.0266 11.1339 H 0 0 0 0 0 0 0 0 0 -1.8465 5.0844 14.2308 H 0 0 0 0 0 0 0 0 0 -1.3161 2.7673 15.2723 H 0 0 0 0 0 0 0 0 0 0.9486 2.7650 18.6309 H 0 0 0 0 0 0 0 0 0 3.1867 1.9145 18.3038 H 0 0 0 0 0 0 0 0 0 6.3613 3.6683 20.3733 H 0 0 0 0 0 0 0 0 0 -1.9100 6.3595 3.6651 H 0 0 0 0 0 0 0 0 0 -1.3790 6.7884 9.0300 H 0 0 0 0 0 0 0 0 0 -2.8319 7.4511 9.7487 H 0 0 0 0 0 0 0 0 0 -4.4596 3.7246 11.9046 H 0 0 0 0 0 0 0 0 0 -2.9180 2.9555 13.7077 H 0 0 0 0 0 0 0 0 0 -4.6689 5.2315 4.0999 H 0 0 0 0 0 0 0 0 0 -3.2746 4.4397 3.3937 H 0 0 0 0 0 0 0 0 0 -4.1379 5.5269 8.8430 H 0 0 0 0 0 0 0 0 0 1.6835 2.6508 14.9968 H 0 0 0 0 0 0 0 0 0 -0.2122 1.3669 16.9799 H 0 0 0 0 0 0 0 0 0 4.7680 4.1761 17.1040 H 0 0 0 0 0 0 0 0 0 5.6762 1.8582 18.8204 H 0 0 0 0 0 0 0 0 0 -3.4998 3.5563 5.6769 H 0 0 0 0 0 0 0 0 0 -2.9541 3.6434 7.8687 H 0 0 0 0 0 0 0 0 0 -1.4343 4.5015 7.9759 H 0 0 0 0 0 0 0 0 0 -6.1508 1.2670 13.9207 H 0 0 0 0 0 0 0 0 0 -5.7091 4.8556 14.9793 H 0 0 0 0 0 0 0 0 0 -8.4638 2.0672 13.4247 H 0 0 0 0 0 0 0 0 0 -6.4314 4.7647 12.0478 H 0 0 0 0 0 0 0 0 0 -8.2455 4.3430 14.4138 H 0 0 0 0 0 0 0 0 0 5.6490 5.7859 19.8759 H 0 0 0 0 0 0 0 0 0 4.1760 1.4672 20.4215 H 0 0 0 0 0 0 0 0 0 4.8606 2.2871 21.8227 H 0 0 0 0 0 0 0 0 0 3.1225 2.2941 21.5546 H 0 0 0 0 0 0 0 0 0 7.1448 2.4733 17.1596 H 0 0 0 0 0 0 0 0 0 4.1441 2.4242 15.7332 H 0 0 0 0 0 0 0 0 0 -7.0992 1.5192 11.7211 H 0 0 0 0 0 0 0 0 0 -1.8000 2.9723 17.5739 H 0 0 0 0 0 0 0 0 0 -1.2299 3.8152 19.0116 H 0 0 0 0 0 0 0 0 0 -2.0070 4.7119 17.7135 H 0 0 0 0 0 0 0 0 0 1.6123 0.0707 16.3853 H 0 0 0 0 0 0 0 0 0 -7.1352 3.2086 16.0110 H 0 0 0 0 0 0 0 0 0 -7.6857 1.5498 15.7872 H 0 0 0 0 0 0 0 0 0 -6.0190 1.8742 16.2440 H 0 0 0 0 0 0 0 0 0 -9.1596 5.4045 12.5686 H 0 0 0 0 0 0 0 0 0 0.4910 1.3551 13.5279 H 0 0 0 0 0 0 0 0 0 -6.1548 6.8239 13.0165 H 0 0 0 0 0 0 0 0 0 0.8157 5.9043 13.0636 H 0 0 0 0 0 0 0 0 0 0.1566 7.1489 12.0007 H 0 0 0 0 0 0 0 0 0 -2.7274 2.1157 11.5903 H 0 0 0 0 0 0 0 0 0 0.1200 7.7097 14.2642 H 0 0 0 0 0 0 0 0 0 -0.3921 6.3679 7.0614 H 0 0 0 0 0 0 0 0 0 -0.5393 6.3378 5.3239 H 0 0 0 0 0 0 0 0 0 -0.5386 7.8676 6.1863 H 0 0 0 0 0 0 0 0 0 -1.2500 9.6151 1.9548 H 0 0 0 0 0 0 0 0 0 -1.0299 8.1821 2.9084 H 0 0 0 0 0 0 0 0 0 -1.3546 8.0304 1.2107 H 0 0 0 0 0 0 0 0 0 -3.1507 12.0259 -0.1522 H 0 0 0 0 0 0 0 0 0 -3.9425 11.7067 1.3824 H 0 0 0 0 0 0 0 0 0 -2.2620 11.2519 1.1456 H 0 0 0 0 0 0 0 0 0 -1.6037 7.8894 -5.4040 H 0 0 0 0 0 0 0 0 0 -0.0052 8.2655 -4.7763 H 0 0 0 0 0 0 0 0 0 -0.9157 6.9145 -4.1094 H 0 0 0 0 0 0 0 0 0 1 53 1 0 0 0 0 1 2 1 0 0 0 0 1 72 1 0 0 0 0 1 73 1 0 0 0 0 2 3 1 1 0 0 0 2 71 1 0 0 0 0 2 74 1 6 0 0 0 3 6 1 0 0 0 0 3 75 1 0 0 0 0 3 76 1 0 0 0 0 4 52 1 1 0 0 0 4 53 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 1 0 0 0 5 70 1 0 0 0 0 5 77 1 6 0 0 0 6 78 1 0 0 0 0 6 79 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 1 0 0 0 7 80 1 6 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 81 1 0 0 0 0 8 82 1 0 0 0 0 9 47 1 6 0 0 0 9 22 1 0 0 0 0 9 59 1 1 0 0 0 9 83 1 0 0 0 0 10 44 1 0 0 0 0 10 24 1 6 0 0 0 10 55 1 1 0 0 0 10 84 1 0 0 0 0 11 49 1 0 0 0 0 11 20 1 1 0 0 0 11 65 1 6 0 0 0 11 85 1 0 0 0 0 12 52 1 0 0 0 0 12 15 1 1 0 0 0 12 86 1 6 0 0 0 13 16 1 0 0 0 0 13 69 1 1 0 0 0 14 17 1 0 0 0 0 14 87 1 0 0 0 0 14 88 1 0 0 0 0 15 16 1 0 0 0 0 15 89 1 0 0 0 0 15 90 1 0 0 0 0 16 25 1 1 0 0 0 16 91 1 6 0 0 0 17 26 1 1 0 0 0 17 25 1 6 0 0 0 17 92 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 93 1 0 0 0 0 18 94 1 0 0 0 0 19 49 1 6 0 0 0 19 51 1 0 0 0 0 19 28 1 1 0 0 0 19 95 1 0 0 0 0 20 48 1 0 0 0 0 20 29 1 1 0 0 0 20 96 1 0 0 0 0 21 48 1 6 0 0 0 21 47 1 0 0 0 0 21 33 1 0 0 0 0 21 97 1 1 0 0 0 22 45 1 6 0 0 0 22 34 1 0 0 0 0 22 98 1 1 0 0 0 23 45 1 0 0 0 0 23 44 1 0 0 0 0 23 35 1 6 0 0 0 23 99 1 1 0 0 0 24 54 1 6 0 0 0 24 36 1 0 0 0 0 24100 1 1 0 0 0 25 30 1 1 0 0 0 25101 1 0 0 0 0 26 31 1 1 0 0 0 26 68 1 0 0 0 0 27 32 1 0 0 0 0 27102 1 0 0 0 0 27103 1 0 0 0 0 28 50 1 0 0 0 0 28 29 1 0 0 0 0 28104 1 1 0 0 0 29 66 1 6 0 0 0 29105 1 1 0 0 0 30 37 1 0 0 0 0 30106 1 0 0 0 0 30107 1 0 0 0 0 31 38 1 0 0 0 0 31 37 2 0 0 0 0 32 51 1 1 0 0 0 32 38 1 0 0 0 0 32108 1 6 0 0 0 33 63 1 0 0 0 0 33 34 1 1 0 0 0 33109 1 6 0 0 0 34 60 1 0 0 0 0 34110 1 1 0 0 0 35 57 1 1 0 0 0 35 36 1 0 0 0 0 35111 1 6 0 0 0 36 56 1 6 0 0 0 36112 1 1 0 0 0 37113 1 0 0 0 0 38114 1 0 0 0 0 38115 1 0 0 0 0 39 46 1 0 0 0 0 39 41 1 0 0 0 0 39 61 1 1 0 0 0 39116 1 6 0 0 0 40 50 1 0 0 0 0 40 46 1 6 0 0 0 40 42 1 0 0 0 0 40117 1 1 0 0 0 41 58 1 6 0 0 0 41 43 1 1 0 0 0 41118 1 0 0 0 0 42 64 1 1 0 0 0 42 43 1 0 0 0 0 42119 1 6 0 0 0 43 62 1 0 0 0 0 43120 1 1 0 0 0 54121 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 55124 1 0 0 0 0 56125 1 0 0 0 0 57126 1 0 0 0 0 58127 1 0 0 0 0 59128 1 0 0 0 0 59129 1 0 0 0 0 59130 1 0 0 0 0 60131 1 0 0 0 0 61132 1 0 0 0 0 61133 1 0 0 0 0 61134 1 0 0 0 0 62135 1 0 0 0 0 63136 1 0 0 0 0 64137 1 0 0 0 0 65 67 1 0 0 0 0 65138 1 0 0 0 0 65139 1 0 0 0 0 66140 1 0 0 0 0 67141 1 0 0 0 0 68142 1 0 0 0 0 68143 1 0 0 0 0 68144 1 0 0 0 0 69145 1 0 0 0 0 69146 1 0 0 0 0 69147 1 0 0 0 0 70148 1 0 0 0 0 70149 1 0 0 0 0 70150 1 0 0 0 0 71151 1 0 0 0 0 71152 1 0 0 0 0 71153 1 0 0 0 0 M END > 306864 > K $$$$ 306951 1016 111283D 306951 53 55 1 1 V2000 4.7906 -3.0645 1.5018 C 0 0 0 0 0 0 0 0 0 3.8208 -2.3453 0.8148 C 0 0 0 0 0 0 0 0 0 4.4170 -4.1792 2.2375 C 0 0 0 0 0 0 0 0 0 2.4847 -2.7336 0.8434 C 0 0 0 0 0 0 0 0 0 3.0847 -4.5677 2.2840 C 0 0 0 0 0 0 0 0 0 2.1167 -3.8483 1.5904 C 0 0 0 0 0 0 0 0 0 1.2797 -2.2666 -1.4411 C 0 0 1 0 0 0 0 0 0 -0.6328 -4.0044 -1.0477 C 0 0 0 0 0 0 0 0 0 2.6446 -2.1189 -2.1640 C 0 0 1 0 0 0 0 0 0 0.7530 -3.7179 -1.6477 C 0 0 1 0 0 0 0 0 0 -0.8509 -5.5119 -0.9219 C 0 0 0 0 0 0 0 0 0 2.6601 -2.6715 -3.5928 C 0 0 0 0 0 0 0 0 0 0.7854 -4.3105 -3.0856 C 0 0 1 0 0 0 0 0 0 -0.3376 -6.3134 -2.0855 C 0 0 0 0 0 0 0 0 0 2.2140 -4.1331 -3.6217 C 0 0 0 0 0 0 0 0 0 0.4055 -5.7840 -3.0713 C 0 0 0 0 0 0 0 0 0 0.8533 -6.7052 -4.1793 C 0 0 0 0 0 0 0 0 0 1.4514 -1.9462 0.0708 C 0 0 0 0 0 0 0 0 0 -0.2120 -3.7149 -4.0989 C 0 0 0 0 0 0 0 0 0 0.2797 -1.2088 -1.9458 C 0 0 0 0 0 0 0 0 0 3.2018 -0.6893 -2.2201 C 0 0 0 0 0 0 0 0 0 0.8076 -4.2119 1.6279 O 0 0 0 0 0 0 0 0 0 6.1025 -2.7119 1.4780 O 0 0 0 0 0 0 0 0 0 4.1112 -1.4988 0.2699 H 0 0 0 0 0 0 0 0 0 5.1485 -4.7241 2.7575 H 0 0 0 0 0 0 0 0 0 2.8102 -5.4102 2.8467 H 0 0 0 0 0 0 0 0 0 -0.7412 -3.5858 -0.0603 H 0 0 0 0 0 0 0 0 0 -1.4043 -3.5777 -1.6701 H 0 0 0 0 0 0 0 0 0 3.3626 -2.7282 -1.6362 H 0 0 0 0 0 0 0 0 0 1.4444 -4.3272 -1.0810 H 0 0 0 0 0 0 0 0 0 -0.3238 -5.8563 -0.0441 H 0 0 0 0 0 0 0 0 0 -1.9048 -5.7078 -0.7858 H 0 0 0 0 0 0 0 0 0 2.0308 -2.0728 -4.2340 H 0 0 0 0 0 0 0 0 0 3.6692 -2.6250 -3.9782 H 0 0 0 0 0 0 0 0 0 -0.5748 -7.3367 -2.1173 H 0 0 0 0 0 0 0 0 0 2.2832 -4.4854 -4.6409 H 0 0 0 0 0 0 0 0 0 2.8954 -4.7163 -3.0175 H 0 0 0 0 0 0 0 0 0 0.2264 -7.5837 -4.2327 H 0 0 0 0 0 0 0 0 0 0.8137 -6.2058 -5.1352 H 0 0 0 0 0 0 0 0 0 1.8702 -7.0160 -3.9883 H 0 0 0 0 0 0 0 0 0 0.5030 -2.0539 0.5750 H 0 0 0 0 0 0 0 0 0 1.7169 -0.9054 0.1844 H 0 0 0 0 0 0 0 0 0 -0.0416 -2.6713 -4.2868 H 0 0 0 0 0 0 0 0 0 -0.1147 -4.2120 -5.0530 H 0 0 0 0 0 0 0 0 0 -1.2308 -3.8448 -3.7670 H 0 0 0 0 0 0 0 0 0 0.5805 -0.2221 -1.6242 H 0 0 0 0 0 0 0 0 0 0.2319 -1.1773 -3.0193 H 0 0 0 0 0 0 0 0 0 -0.7084 -1.3949 -1.5522 H 0 0 0 0 0 0 0 0 0 4.2098 -0.7088 -2.6090 H 0 0 0 0 0 0 0 0 0 2.5943 -0.0755 -2.8690 H 0 0 0 0 0 0 0 0 0 3.2242 -0.2340 -1.2429 H 0 0 0 0 0 0 0 0 0 0.6817 -4.9702 2.1875 H 0 0 0 0 0 0 0 0 0 6.2369 -1.9454 0.9307 H 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 2 24 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 1 0 0 0 7 20 1 6 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 6 0 0 0 9 21 1 0 0 0 0 9 29 1 1 0 0 0 10 13 1 6 0 0 0 10 30 1 1 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 6 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 M END > 306951 > K $$$$ 307454 1016 111283D 307454 28 28 0 2 V2000 0.5010 10.4873 -3.2979 C 0 0 0 0 0 0 0 0 0 -0.5838 10.7074 -4.1450 C 0 0 0 0 0 0 0 0 0 1.6080 9.7332 -3.6994 C 0 0 0 0 0 0 0 0 0 -0.5827 10.1429 -5.4146 C 0 0 0 0 0 0 0 0 0 1.5709 9.1821 -4.9779 C 0 0 0 0 0 0 0 0 0 0.4832 8.8831 -6.9466 O 0 0 0 0 0 0 0 0 0 0.4923 9.3929 -5.7980 N 0 2 0 0 0 0 0 0 0 2.6445 7.0454 -2.4313 C 0 0 0 0 0 0 0 0 0 1.4598 7.2283 -2.5848 O 0 0 0 0 0 0 0 0 0 3.0642 5.7379 -2.3287 N 0 0 0 0 0 0 0 0 0 2.1477 4.9074 -2.5639 N 0 0 0 0 0 0 0 0 0 2.3478 3.8214 -3.1499 O 0 0 0 0 0 0 0 0 0 4.9212 5.4164 -4.6260 Cl 0 0 0 0 0 0 0 0 0 2.8285 9.5144 -2.8024 C 0 0 0 0 0 0 0 0 0 3.3621 8.2109 -2.4007 N 0 0 0 0 0 0 0 0 0 4.3808 5.2060 -1.9882 C 0 0 0 0 0 0 0 0 0 5.1066 4.4558 -3.1128 C 0 0 0 0 0 0 0 0 0 0.4672 10.9109 -2.3327 H 0 0 0 0 0 0 0 0 0 -1.4032 11.2971 -3.8324 H 0 0 0 0 0 0 0 0 0 -1.4093 10.3019 -6.0607 H 0 0 0 0 0 0 0 0 0 2.3903 8.6010 -5.3052 H 0 0 0 0 0 0 0 0 0 3.6306 9.9649 -3.3685 H 0 0 0 0 0 0 0 0 0 2.7136 10.1294 -1.9176 H 0 0 0 0 0 0 0 0 0 4.2875 8.1765 -2.0844 H 0 0 0 0 0 0 0 0 0 5.0377 5.9703 -1.5985 H 0 0 0 0 0 0 0 0 0 4.2580 4.4543 -1.2162 H 0 0 0 0 0 0 0 0 0 4.6743 3.4730 -3.2532 H 0 0 0 0 0 0 0 0 0 6.1547 4.3111 -2.8700 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 18 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 3 5 2 0 0 0 0 4 7 2 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 M CHG 1 7 2 M END > 307454 > K $$$$ 308847 1016 111283D 308847 38 40 0 1 V2000 2.4054 -1.8648 -0.2254 C 0 0 0 0 0 0 0 0 0 3.4507 -0.9507 -0.2211 C 0 0 0 0 0 0 0 0 0 -0.0522 -2.3922 -0.1176 C 0 0 0 0 0 0 0 0 0 1.0944 -1.4191 -0.1138 C 0 0 0 0 0 0 0 0 0 3.1873 0.4082 -0.1051 C 0 0 0 0 0 0 0 0 0 0.8293 -0.0593 0.0031 C 0 0 0 0 0 0 0 0 0 1.8771 0.8591 0.0076 C 0 0 0 0 0 0 0 0 0 -1.6007 -0.6218 0.1088 C 0 0 0 0 0 0 0 0 0 -0.4834 0.3837 0.1159 C 0 0 0 0 0 0 0 0 0 1.6010 2.2166 0.1247 C 0 0 0 0 0 0 0 0 0 -0.7524 1.7412 0.2333 C 0 0 0 0 0 0 0 0 0 0.2889 2.6608 0.2378 C 0 0 0 0 0 0 0 0 0 -1.3373 -1.9542 0.0004 N 0 0 0 0 0 0 0 0 0 -2.7435 -0.2428 0.2007 O 0 0 0 0 0 0 0 0 0 0.1668 -3.5750 -0.2259 O 0 0 0 0 0 0 0 0 0 -4.0281 -4.0177 -1.5398 N 0 0 0 0 0 0 0 0 0 0.0235 3.9885 0.3521 N 0 0 0 0 0 0 0 0 0 -2.4199 -2.9038 0.0072 C 0 0 0 0 0 0 0 0 0 -2.8476 -3.1600 -1.4374 C 0 0 0 0 0 0 0 0 0 -4.6719 -3.9248 -2.8472 C 0 0 0 0 0 0 0 0 0 -3.8214 -5.4027 -1.1243 C 0 0 0 0 0 0 0 0 0 2.6069 -2.8927 -0.3130 H 0 0 0 0 0 0 0 0 0 4.4421 -1.2881 -0.3057 H 0 0 0 0 0 0 0 0 0 3.9852 1.0924 -0.1031 H 0 0 0 0 0 0 0 0 0 2.3852 2.9155 0.1284 H 0 0 0 0 0 0 0 0 0 -1.7453 2.0739 0.3192 H 0 0 0 0 0 0 0 0 0 0.7452 4.6375 0.3552 H 0 0 0 0 0 0 0 0 0 -0.8918 4.3025 0.4321 H 0 0 0 0 0 0 0 0 0 -2.1043 -3.8279 0.4702 H 0 0 0 0 0 0 0 0 0 -3.2669 -2.5224 0.5608 H 0 0 0 0 0 0 0 0 0 -2.0217 -3.5942 -1.9835 H 0 0 0 0 0 0 0 0 0 -3.0695 -2.1937 -1.8691 H 0 0 0 0 0 0 0 0 0 -4.9000 -2.8938 -3.0787 H 0 0 0 0 0 0 0 0 0 -4.0223 -4.3210 -3.6151 H 0 0 0 0 0 0 0 0 0 -5.5982 -4.4813 -2.8469 H 0 0 0 0 0 0 0 0 0 -4.7594 -5.9385 -1.1519 H 0 0 0 0 0 0 0 0 0 -3.1179 -5.8906 -1.7843 H 0 0 0 0 0 0 0 0 0 -3.4448 -5.4490 -0.1138 H 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 2 5 2 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 3 13 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 6 9 2 0 0 0 0 6 7 1 0 0 0 0 7 10 2 0 0 0 0 8 14 2 0 0 0 0 8 13 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END > 308847 > K $$$$ 310618 1016 111283D 310618 36 37 1 1 V2000 0.3899 1.4509 0.3461 C 0 0 0 0 0 0 0 0 0 1.9190 3.3955 0.1933 C 0 0 0 0 0 0 0 0 0 0.4564 -0.0714 0.2746 C 0 0 0 0 0 0 0 0 0 1.6698 2.0719 -0.1439 C 0 0 0 0 0 0 0 0 0 3.0731 4.0357 -0.2240 C 0 0 0 0 0 0 0 0 0 0.9211 -0.4782 -1.1272 C 0 0 1 0 0 0 0 0 0 2.5877 1.3736 -0.9080 C 0 0 0 0 0 0 0 0 0 3.9997 3.3434 -0.9926 C 0 0 0 0 0 0 0 0 0 2.3804 -0.0645 -1.2999 C 0 0 0 0 0 0 0 0 0 3.7526 2.0136 -1.3337 C 0 0 0 0 0 0 0 0 0 0.7996 -1.9686 -1.2818 C 0 0 0 0 0 0 0 0 0 5.1342 3.9657 -1.4113 O 0 0 0 0 0 0 0 0 0 0.9187 4.1509 1.0273 C 0 0 0 0 0 0 0 0 0 4.7358 1.2739 -2.1562 C 0 0 0 0 0 0 0 0 0 5.6348 0.6519 -1.6142 O 0 0 0 0 0 0 0 0 0 4.6349 1.2849 -3.5013 O 0 0 0 0 0 0 0 0 0 1.1380 -2.8835 -0.1366 C 0 0 0 0 0 0 0 0 0 0.3920 -2.4795 -2.4340 C 0 0 0 0 0 0 0 0 0 -0.4363 1.8036 -0.2695 H 0 0 0 0 0 0 0 0 0 0.2202 1.7498 1.3780 H 0 0 0 0 0 0 0 0 0 1.1641 -0.4411 1.0155 H 0 0 0 0 0 0 0 0 0 -0.5299 -0.4893 0.4674 H 0 0 0 0 0 0 0 0 0 3.2482 5.0592 0.0474 H 0 0 0 0 0 0 0 0 0 0.3075 0.0223 -1.8748 H 0 0 0 0 0 0 0 0 0 3.0088 -0.6980 -0.6754 H 0 0 0 0 0 0 0 0 0 2.6679 -0.1926 -2.3423 H 0 0 0 0 0 0 0 0 0 5.9265 3.9328 -0.8609 H 0 0 0 0 0 0 0 0 0 0.1972 4.6394 0.3741 H 0 0 0 0 0 0 0 0 0 0.3993 3.4597 1.6864 H 0 0 0 0 0 0 0 0 0 1.4339 4.8999 1.6254 H 0 0 0 0 0 0 0 0 0 5.2788 0.7998 -4.0309 H 0 0 0 0 0 0 0 0 0 0.9883 -3.9189 -0.4377 H 0 0 0 0 0 0 0 0 0 2.1781 -2.7345 0.1492 H 0 0 0 0 0 0 0 0 0 0.4925 -2.6549 0.7105 H 0 0 0 0 0 0 0 0 0 0.3056 -3.5436 -2.5412 H 0 0 0 0 0 0 0 0 0 0.1515 -1.8245 -3.2491 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 13 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 23 1 0 0 0 0 6 11 1 0 0 0 0 6 9 1 1 0 0 0 6 24 1 6 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 12 1 0 0 0 0 8 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 M END > 310618 > K $$$$ 311153 1016 111283D 311153 56 60 0 2 V2000 -4.2778 -14.0878 5.2537 C 0 0 0 0 0 0 0 0 0 -5.5183 -13.6614 5.7234 C 0 0 0 0 0 0 0 0 0 -3.4922 -13.2505 4.4697 C 0 0 0 0 0 0 0 0 0 -5.9916 -12.3923 5.4113 C 0 0 0 0 0 0 0 0 0 -3.9527 -11.9743 4.1659 C 0 0 0 0 0 0 0 0 0 -5.1930 -11.5715 4.6301 C 0 0 0 0 0 0 0 0 0 -5.4456 -10.2936 4.1907 N 0 0 0 0 0 0 0 0 0 -6.2494 -9.7824 4.3753 H 0 0 0 0 0 0 0 0 0 -3.4106 -10.9189 3.4399 C 0 0 0 0 0 0 0 0 0 -4.3484 -9.8992 3.4510 C 0 0 0 0 0 0 0 0 0 -4.1341 -8.6973 2.7925 C 0 0 0 0 0 0 0 0 0 -2.1944 -10.7598 2.7792 C 0 0 0 0 0 0 0 0 0 -1.9855 -9.5726 2.0650 C 0 0 0 0 0 0 0 0 0 -2.9398 -8.5474 2.0864 C 0 0 0 0 0 0 0 0 0 -0.8311 -9.3634 1.3113 C 0 0 0 0 0 0 0 0 0 -2.6949 -7.3639 1.3960 C 0 0 0 0 0 0 0 0 0 -1.5190 -7.1970 0.6820 C 0 0 0 0 0 0 0 0 0 -0.5972 -8.1942 0.6493 N 0 3 0 0 0 0 0 0 0 -0.1925 -9.7873 -1.5859 N 0 0 0 0 0 0 0 0 0 0.7237 -10.9114 -1.3713 C 0 0 0 0 0 0 0 0 0 -1.0396 -9.9683 -2.7682 C 0 0 0 0 0 0 0 0 0 -0.0624 -12.2143 -1.2132 C 0 0 0 0 0 0 0 0 0 -1.8661 -11.2484 -2.6512 C 0 0 0 0 0 0 0 0 0 -0.9437 -12.4480 -2.4401 C 0 0 0 0 0 0 0 0 0 -3.7873 -15.3219 5.5370 O 0 0 0 0 0 0 0 0 0 -1.1695 -11.8664 2.8690 C 0 0 0 0 0 0 0 0 0 -5.1789 -7.6111 2.8564 C 0 0 0 0 0 0 0 0 0 0.6374 -8.0240 -0.0919 C 0 0 0 0 0 0 0 0 0 0.4372 -8.4676 -1.5423 C 0 0 0 0 0 0 0 0 0 -6.1017 -14.3019 6.3167 H 0 0 0 0 0 0 0 0 0 -2.5707 -13.6087 4.1273 H 0 0 0 0 0 0 0 0 0 -6.9267 -12.0619 5.7565 H 0 0 0 0 0 0 0 0 0 -0.1103 -10.1219 1.2424 H 0 0 0 0 0 0 0 0 0 -3.3931 -6.5790 1.4028 H 0 0 0 0 0 0 0 0 0 -1.3585 -6.2892 0.1721 H 0 0 0 0 0 0 0 0 0 1.3946 -11.0060 -2.2155 H 0 0 0 0 0 0 0 0 0 1.3187 -10.7674 -0.4812 H 0 0 0 0 0 0 0 0 0 -1.7297 -9.1424 -2.8725 H 0 0 0 0 0 0 0 0 0 -0.4284 -10.0177 -3.6598 H 0 0 0 0 0 0 0 0 0 0.6224 -13.0427 -1.0999 H 0 0 0 0 0 0 0 0 0 -0.6867 -12.1533 -0.3335 H 0 0 0 0 0 0 0 0 0 -2.5407 -11.1606 -1.8116 H 0 0 0 0 0 0 0 0 0 -2.4457 -11.3906 -3.5523 H 0 0 0 0 0 0 0 0 0 -0.3198 -12.5805 -3.3132 H 0 0 0 0 0 0 0 0 0 -1.5366 -13.3406 -2.2997 H 0 0 0 0 0 0 0 0 0 -4.3921 -15.8107 6.0860 H 0 0 0 0 0 0 0 0 0 -1.4883 -12.7045 2.2660 H 0 0 0 0 0 0 0 0 0 -0.1763 -11.5795 2.5692 H 0 0 0 0 0 0 0 0 0 -1.0760 -12.1741 3.8996 H 0 0 0 0 0 0 0 0 0 -4.7378 -6.7009 3.2360 H 0 0 0 0 0 0 0 0 0 -5.5762 -7.4348 1.8674 H 0 0 0 0 0 0 0 0 0 -5.9971 -7.8766 3.5075 H 0 0 0 0 0 0 0 0 0 0.9656 -6.9923 -0.0884 H 0 0 0 0 0 0 0 0 0 1.4359 -8.6098 0.3443 H 0 0 0 0 0 0 0 0 0 1.3818 -8.4743 -2.0700 H 0 0 0 0 0 0 0 0 0 -0.2010 -7.7327 -2.0139 H 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 2 4 2 0 0 0 0 2 30 1 0 0 0 0 3 5 1 0 0 0 0 3 31 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 11 27 1 0 0 0 0 11 14 1 0 0 0 0 12 26 1 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 13 14 1 0 0 0 0 14 16 2 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M CHG 1 18 1 M END > 311153 > K $$$$ 314622 1016 111283D 314622 42 46 0 2 V2000 0.3721 1.2321 0.9564 O 0 0 0 0 0 0 0 0 0 -2.1766 -0.0746 0.7101 O 0 0 0 0 0 0 0 0 0 0.1977 -0.1012 0.7373 C 0 0 0 0 0 0 0 0 0 -1.0153 -0.7838 0.6159 C 0 0 0 0 0 0 0 0 0 1.3997 -0.7850 0.6331 C 0 0 0 0 0 0 0 0 0 -0.9957 -2.1596 0.3999 C 0 0 0 0 0 0 0 0 0 4.3939 -1.4354 0.5314 O 0 0 0 0 0 0 0 0 0 1.4125 -2.1555 0.4133 C 0 0 0 0 0 0 0 0 0 0.2102 -2.8417 0.3050 C 0 0 0 0 0 0 0 0 0 2.6710 -2.9645 0.2795 C 0 0 0 0 0 0 0 0 0 3.9925 -2.5576 0.3375 C 0 3 0 0 0 0 0 0 0 0.2511 -4.3310 0.0847 C 0 0 0 0 0 0 0 0 0 -0.7866 -4.9327 -0.0134 O 0 0 0 0 0 0 0 0 0 1.4398 -5.0156 -0.0059 N 0 0 0 0 0 0 0 0 0 2.6274 -4.3340 0.0615 C 0 0 0 0 0 0 0 0 0 3.9410 -4.7777 -0.0542 C 0 3 0 0 0 0 0 0 0 4.7763 -3.6810 0.1307 C 0 3 0 0 0 0 0 0 0 4.4680 -6.0437 -0.3063 C 0 0 0 0 0 0 0 0 0 6.1633 -3.7909 0.0961 C 0 0 0 0 0 0 0 0 0 6.6723 -5.0580 -0.1507 C 0 0 0 0 0 0 0 0 0 5.8515 -6.1471 -0.3486 C 0 0 0 0 0 0 0 0 0 6.5729 -7.2572 -0.5751 O 0 0 0 0 0 0 0 0 0 7.9668 -5.4076 -0.2324 O 0 0 0 0 0 0 0 0 0 7.9227 -6.8051 -0.5112 C 0 0 0 0 0 0 0 0 0 -0.7576 1.9934 1.3435 C 0 0 0 0 0 0 0 0 0 -3.4149 -0.7436 0.8659 C 0 0 0 0 0 0 0 0 0 1.3603 -6.4514 -0.1691 C 0 0 0 0 0 0 0 0 0 2.2880 -0.2323 0.7264 H 0 0 0 0 0 0 0 0 0 -1.8962 -2.6927 0.3057 H 0 0 0 0 0 0 0 0 0 3.8805 -6.9011 -0.4631 H 0 0 0 0 0 0 0 0 0 6.8100 -2.9732 0.2457 H 0 0 0 0 0 0 0 0 0 8.4532 -7.3516 0.2594 H 0 0 0 0 0 0 0 0 0 8.4186 -7.0057 -1.4534 H 0 0 0 0 0 0 0 0 0 -1.4713 2.0658 0.5348 H 0 0 0 0 0 0 0 0 0 -1.2355 1.5585 2.2110 H 0 0 0 0 0 0 0 0 0 -0.4332 2.9919 1.5987 H 0 0 0 0 0 0 0 0 0 -3.6823 -1.2843 -0.0308 H 0 0 0 0 0 0 0 0 0 -3.3940 -1.4187 1.7104 H 0 0 0 0 0 0 0 0 0 -4.1723 0.0048 1.0495 H 0 0 0 0 0 0 0 0 0 0.3464 -6.8189 -0.0713 H 0 0 0 0 0 0 0 0 0 1.7049 -6.7377 -1.1532 H 0 0 0 0 0 0 0 0 0 1.9404 -6.9553 0.5909 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 25 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 8 2 0 0 0 0 5 28 1 0 0 0 0 6 9 2 0 0 0 0 6 29 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 10 11 4 0 0 0 0 10 15 4 0 0 0 0 11 17 4 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 4 0 0 0 0 16 17 4 0 0 0 0 16 18 4 0 0 0 0 17 19 4 0 0 0 0 18 21 4 0 0 0 0 18 30 1 0 0 0 0 19 20 4 0 0 0 0 19 31 1 0 0 0 0 20 23 1 0 0 0 0 20 21 4 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 3 11 1 16 1 17 1 M END > 314622 > K $$$$ 316157 1016 111283D 316157 43 45 0 1 V2000 -1.0522 -18.1797 -6.8708 C 0 0 0 0 0 0 0 0 0 -1.3830 -17.3608 -7.9409 C 0 0 0 0 0 0 0 0 0 -0.3930 -17.6583 -5.7664 C 0 0 0 0 0 0 0 0 0 -1.0604 -16.0112 -7.9177 C 0 0 0 0 0 0 0 0 0 -0.0653 -16.3055 -5.7355 C 0 0 0 0 0 0 0 0 0 -0.4005 -15.4798 -6.8131 C 0 0 0 0 0 0 0 0 0 0.6403 -15.7457 -4.5563 C 0 0 0 0 0 0 0 0 0 0.9518 -16.4638 -3.6339 O 0 0 0 0 0 0 0 0 0 -0.0562 -14.0365 -6.7862 C 0 0 0 0 0 0 0 0 0 -0.3284 -13.3268 -7.7275 O 0 0 0 0 0 0 0 0 0 0.9595 -14.3001 -4.5199 C 0 0 0 0 0 0 0 0 0 0.6218 -13.4724 -5.6001 C 0 0 0 0 0 0 0 0 0 0.9246 -12.1101 -5.5584 C 0 0 0 0 0 0 0 0 0 1.6005 -13.7593 -3.4070 C 0 0 0 0 0 0 0 0 0 1.9017 -12.3922 -3.3715 C 0 0 0 0 0 0 0 0 0 1.5645 -11.5746 -4.4458 C 0 0 0 0 0 0 0 0 0 1.9287 -14.5546 -2.3524 O 0 0 0 0 0 0 0 0 0 0.6035 -11.3025 -6.6040 O 0 0 0 0 0 0 0 0 0 2.5380 -11.8440 -2.2696 N 0 0 0 0 0 0 0 0 0 3.0706 -10.4843 -2.3221 C 0 0 0 0 0 0 0 0 0 3.9021 -10.2063 -1.0681 C 0 0 0 0 0 0 0 0 0 5.1288 -11.0099 -1.1038 N 0 0 0 0 0 0 0 0 0 5.9040 -10.6568 0.0900 C 0 0 0 0 0 0 0 0 0 7.2147 -11.4476 0.1051 C 0 0 0 0 0 0 0 0 0 7.9665 -11.1054 1.2665 O 0 0 0 0 0 0 0 0 0 -1.3098 -19.2212 -6.8969 H 0 0 0 0 0 0 0 0 0 -1.8917 -17.7739 -8.7908 H 0 0 0 0 0 0 0 0 0 -0.1402 -18.2990 -4.9419 H 0 0 0 0 0 0 0 0 0 -1.3205 -15.3840 -8.7503 H 0 0 0 0 0 0 0 0 0 1.7990 -10.5269 -4.4125 H 0 0 0 0 0 0 0 0 0 2.7898 -14.9904 -2.3342 H 0 0 0 0 0 0 0 0 0 -0.2561 -10.8633 -6.6207 H 0 0 0 0 0 0 0 0 0 2.6310 -12.3697 -1.4545 H 0 0 0 0 0 0 0 0 0 3.7009 -10.3747 -3.2052 H 0 0 0 0 0 0 0 0 0 2.2469 -9.7725 -2.3763 H 0 0 0 0 0 0 0 0 0 4.1601 -9.1489 -1.0292 H 0 0 0 0 0 0 0 0 0 3.3219 -10.4704 -0.1840 H 0 0 0 0 0 0 0 0 0 4.8507 -11.9728 -0.9978 H 0 0 0 0 0 0 0 0 0 6.1249 -9.5901 0.0789 H 0 0 0 0 0 0 0 0 0 5.3257 -10.8976 0.9817 H 0 0 0 0 0 0 0 0 0 6.9930 -12.5145 0.1158 H 0 0 0 0 0 0 0 0 0 7.7921 -11.2069 -0.7870 H 0 0 0 0 0 0 0 0 0 8.7805 -11.6224 1.2383 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 26 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 5 2 0 0 0 0 3 28 1 0 0 0 0 4 6 2 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 11 14 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 19 1 0 0 0 0 15 16 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > 316157 > K $$$$ 319726 1016 111283D 319726 30 31 0 1 V2000 3.4039 5.2989 -2.5622 C 0 0 0 0 0 0 0 0 0 2.4905 4.2748 -2.7673 C 0 0 0 0 0 0 0 0 0 4.6433 5.0005 -2.0131 C 0 0 0 0 0 0 0 0 0 4.9562 3.6907 -1.6743 C 0 0 0 0 0 0 0 0 0 2.8200 3.0064 -2.4303 N 0 0 0 0 0 0 0 0 0 4.0222 2.6844 -1.8900 C 0 0 0 0 0 0 0 0 0 4.3234 1.2516 -1.5349 C 0 0 0 0 0 0 0 0 0 5.4293 0.9683 -1.0099 N 0 0 0 0 0 0 0 0 0 7.0636 -0.3651 -0.1274 C 0 0 0 0 0 0 0 0 0 8.0598 0.8311 0.0093 S 0 0 0 0 0 0 0 0 0 7.4385 -1.6148 0.2647 N 0 0 0 0 0 0 0 0 0 8.6771 -2.0445 0.8201 C 0 0 0 0 0 0 0 0 0 6.7033 -2.8337 0.2301 C 0 0 0 0 0 0 0 0 0 7.9915 -3.4174 0.8246 C 0 0 0 0 0 0 0 0 0 3.2945 0.1910 -1.8168 C 0 0 0 0 0 0 0 0 0 5.8180 -0.1761 -0.6361 N 0 0 0 0 0 0 0 0 0 3.1589 6.2870 -2.8200 H 0 0 0 0 0 0 0 0 0 1.5473 4.4804 -3.1819 H 0 0 0 0 0 0 0 0 0 5.3447 5.7662 -1.8537 H 0 0 0 0 0 0 0 0 0 5.8938 3.4646 -1.2581 H 0 0 0 0 0 0 0 0 0 9.5079 -1.9700 0.1325 H 0 0 0 0 0 0 0 0 0 8.8682 -1.6456 1.8066 H 0 0 0 0 0 0 0 0 0 5.8617 -2.8464 0.9085 H 0 0 0 0 0 0 0 0 0 6.4855 -3.1783 -0.7713 H 0 0 0 0 0 0 0 0 0 8.4696 -4.1214 0.1589 H 0 0 0 0 0 0 0 0 0 7.8478 -3.8070 1.8221 H 0 0 0 0 0 0 0 0 0 2.4509 0.6015 -2.3509 H 0 0 0 0 0 0 0 0 0 3.7368 -0.5901 -2.4175 H 0 0 0 0 0 0 0 0 0 2.9485 -0.2235 -0.8817 H 0 0 0 0 0 0 0 0 0 5.2378 -0.9490 -0.7015 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 17 1 0 0 0 0 2 5 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 M END > 319726 > K $$$$ 320846 1016 111283D 320846 30 33 0 1 V2000 -0.0168 1.3862 0.0097 C 0 0 0 0 0 0 0 0 0 -1.0456 -1.0386 0.0065 C 0 0 0 0 0 0 0 0 0 -1.0532 -3.6033 -0.0077 C 0 0 0 0 0 0 0 0 0 -0.5120 -6.0596 -0.0278 C 0 0 0 0 0 0 0 0 0 1.1745 2.0880 0.0021 C 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 -0.0785 -4.7588 -0.0237 C 0 0 0 0 0 0 0 0 0 0.4174 -7.0975 -0.0435 C 0 0 0 0 0 0 0 0 0 2.3862 1.4184 -0.0131 C 0 0 0 0 0 0 0 0 0 1.2362 -0.6842 -0.0134 C 0 0 0 0 0 0 0 0 0 0.9172 -2.1288 -0.0182 C 0 0 0 0 0 0 0 0 0 1.2896 -4.4582 -0.0335 C 0 0 0 0 0 0 0 0 0 1.7790 -6.8116 -0.0532 C 0 0 0 0 0 0 0 0 0 2.4237 0.0357 -0.0209 C 0 0 0 0 0 0 0 0 0 2.2177 -5.5066 -0.0484 C 0 0 0 0 0 0 0 0 0 1.7076 -3.1674 -0.0309 N 0 0 0 0 0 0 0 0 0 -0.4625 -2.2511 -0.0056 N 0 0 0 0 0 0 0 0 0 -2.2435 -0.8309 0.0197 O 0 0 0 0 0 0 0 0 0 -0.0172 -8.4231 -0.0471 N 0 0 0 0 0 0 0 0 0 -0.9579 1.9157 0.0260 H 0 0 0 0 0 0 0 0 0 -1.6971 -3.6907 -0.8828 H 0 0 0 0 0 0 0 0 0 -1.6801 -3.7008 0.8786 H 0 0 0 0 0 0 0 0 0 -1.5695 -6.2788 -0.0199 H 0 0 0 0 0 0 0 0 0 1.1597 3.1678 0.0076 H 0 0 0 0 0 0 0 0 0 3.3088 1.9797 -0.0193 H 0 0 0 0 0 0 0 0 0 2.4966 -7.6186 -0.0654 H 0 0 0 0 0 0 0 0 0 3.3718 -0.4814 -0.0324 H 0 0 0 0 0 0 0 0 0 3.2761 -5.2917 -0.0564 H 0 0 0 0 0 0 0 0 0 0.6299 -9.1456 -0.0580 H 0 0 0 0 0 0 0 0 0 -0.9665 -8.6223 -0.0387 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 5 1 0 0 0 0 1 20 1 0 0 0 0 2 18 2 0 0 0 0 2 6 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 8 2 0 0 0 0 4 7 1 0 0 0 0 4 23 1 0 0 0 0 5 9 2 0 0 0 0 5 24 1 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 17 1 0 0 0 0 11 16 2 0 0 0 0 12 16 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 320846 > K $$$$ 320864 1016 111283D 320864 32 34 0 1 V2000 -0.3013 1.3643 -0.1554 C 0 0 0 0 0 0 0 0 0 -0.3396 -0.0171 -0.0239 C 0 0 0 0 0 0 0 0 0 0.9160 2.0283 -0.1146 C 0 0 0 0 0 0 0 0 0 0.8329 -0.7517 0.1360 C 0 0 0 0 0 0 0 0 0 2.0855 1.3040 0.0671 C 0 0 0 0 0 0 0 0 0 2.0549 -0.0785 0.1933 C 0 0 0 0 0 0 0 0 0 0.5544 -5.1038 -0.2702 C 0 0 0 0 0 0 0 0 0 2.6302 -3.9686 -1.4539 C 0 0 0 0 0 0 0 0 0 0.4797 -6.5355 0.1598 C 0 0 0 0 0 0 0 0 0 1.9277 -5.0158 -0.8695 C 0 0 0 0 0 0 0 0 0 3.9233 -4.2020 -1.9062 C 0 0 0 0 0 0 0 0 0 2.4964 -6.2750 -0.7630 C 0 0 0 0 0 0 0 0 0 4.4915 -5.4677 -1.8056 C 0 0 0 0 0 0 0 0 0 3.7784 -6.5181 -1.2388 C 0 0 0 0 0 0 0 0 0 4.8364 -2.8960 -2.6049 Cl 0 0 0 0 0 0 0 0 0 4.4895 -8.1028 -1.1313 Cl 0 0 0 0 0 0 0 0 0 1.6451 -7.1512 -0.1625 N 0 0 0 0 0 0 0 0 0 1.8313 -8.0857 0.0178 H 0 0 0 0 0 0 0 0 0 -0.3559 -4.2452 -0.1366 N 0 0 0 0 0 0 0 0 0 -0.4494 -7.0810 0.7045 O 0 0 0 0 0 0 0 0 0 0.7521 -2.2541 0.2426 C 0 0 0 0 0 0 0 0 0 1.6436 -2.8582 0.7890 O 0 0 0 0 0 0 0 0 0 -0.2910 -2.9859 -0.2548 N 0 0 0 0 0 0 0 0 0 3.2755 -0.6577 0.3612 O 0 0 0 0 0 0 0 0 0 -1.1917 1.9070 -0.2857 H 0 0 0 0 0 0 0 0 0 -1.2715 -0.5002 -0.0448 H 0 0 0 0 0 0 0 0 0 0.9532 3.0731 -0.2193 H 0 0 0 0 0 0 0 0 0 3.0090 1.8020 0.1104 H 0 0 0 0 0 0 0 0 0 2.2117 -3.0143 -1.5594 H 0 0 0 0 0 0 0 0 0 5.4662 -5.6297 -2.1613 H 0 0 0 0 0 0 0 0 0 -1.0186 -2.5342 -0.7073 H 0 0 0 0 0 0 0 0 0 3.2279 -1.5736 0.6007 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 25 1 0 0 0 0 2 4 2 0 0 0 0 2 26 1 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 4 21 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 7 19 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 20 2 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 11 15 1 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 19 23 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 M END > 320864 > K $$$$ 321803 1016 111283D 321803 47 50 1 2 V2000 -0.1148 1.1366 0.2512 C 0 0 1 0 0 0 0 0 0 0.4668 0.2269 0.1842 H 0 0 0 0 0 0 0 0 0 -1.6661 1.8982 1.5594 H 0 0 0 0 0 0 0 0 0 -0.2539 0.7795 2.7137 C 0 0 1 0 0 0 0 0 0 0.4123 -0.0521 2.5160 H 0 0 0 0 0 0 0 0 0 2.0706 2.1377 4.8596 O 0 0 0 0 0 0 0 0 0 1.0837 1.6543 4.3589 C 0 0 0 0 0 0 0 0 0 0.5744 2.0385 3.0048 C 0 0 1 0 0 0 0 0 0 1.5957 2.1765 1.8708 C 0 0 0 0 0 0 0 0 0 0.8780 2.2886 0.5159 C 0 0 0 0 0 0 0 0 0 0.2465 0.6126 5.0349 C 0 0 0 0 0 0 0 0 0 -0.9206 0.4584 4.0530 C 0 0 0 0 0 0 0 0 0 -1.0831 0.9961 1.4432 C 0 0 2 0 0 0 0 0 0 -0.1646 1.6978 -2.1929 C 0 0 0 0 0 0 0 0 0 -0.8166 1.8759 -3.4029 C 0 0 0 0 0 0 0 0 0 -0.8567 1.2644 -1.0678 C 0 0 0 0 0 0 0 0 0 -2.1833 1.6418 -3.5042 C 0 0 0 0 0 0 0 0 0 -2.2135 0.9540 -1.1847 C 0 0 0 0 0 0 0 0 0 -2.0639 -0.1298 1.1339 C 0 0 0 0 0 0 0 0 0 -2.8842 1.2015 -2.3846 C 0 0 0 0 0 0 0 0 0 -2.9548 0.3502 -0.0127 C 0 0 0 0 0 0 0 0 0 -2.8849 1.8217 -4.6652 O 0 0 0 0 0 0 0 0 0 -2.2944 2.5261 -5.7414 C 0 0 0 0 0 0 0 0 0 -4.2329 1.0274 -2.5112 N 0 3 0 0 0 0 0 0 0 -4.7968 1.1918 -3.6158 O 0 0 0 0 0 0 0 0 0 -5.0762 0.6492 -1.3799 O 0 5 0 0 0 0 0 0 0 -0.2051 3.3487 3.2170 C 0 0 0 0 0 0 0 0 0 2.2119 3.0494 2.0340 H 0 0 0 0 0 0 0 0 0 2.2370 1.3063 1.8563 H 0 0 0 0 0 0 0 0 0 1.6444 2.3030 -0.2438 H 0 0 0 0 0 0 0 0 0 0.3456 3.2272 0.4672 H 0 0 0 0 0 0 0 0 0 0.8188 -0.3014 5.1041 H 0 0 0 0 0 0 0 0 0 -0.0840 0.9287 6.0131 H 0 0 0 0 0 0 0 0 0 -1.6978 1.1763 4.2715 H 0 0 0 0 0 0 0 0 0 -1.3304 -0.5414 4.0785 H 0 0 0 0 0 0 0 0 0 0.8654 1.8964 -2.1407 H 0 0 0 0 0 0 0 0 0 -0.2631 2.1906 -4.2379 H 0 0 0 0 0 0 0 0 0 -1.5311 -1.0271 0.8502 H 0 0 0 0 0 0 0 0 0 -2.6841 -0.3446 1.9924 H 0 0 0 0 0 0 0 0 0 -3.6390 1.0940 0.3709 H 0 0 0 0 0 0 0 0 0 -3.5275 -0.5031 -0.3477 H 0 0 0 0 0 0 0 0 0 -3.0414 2.6823 -6.5066 H 0 0 0 0 0 0 0 0 0 -1.9351 3.4943 -5.4208 H 0 0 0 0 0 0 0 0 0 -1.4877 1.9503 -6.1709 H 0 0 0 0 0 0 0 0 0 -0.9376 3.2436 4.0040 H 0 0 0 0 0 0 0 0 0 0.4850 4.1304 3.5013 H 0 0 0 0 0 0 0 0 0 -0.7166 3.6626 2.3208 H 0 0 0 0 0 0 0 0 0 1 16 1 6 0 0 0 1 13 1 1 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 6 0 0 0 4 12 1 1 0 0 0 4 5 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 6 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 19 1 6 0 0 0 14 16 2 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 17 22 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 24 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 2 24 1 26 -1 M END > 321803 > K $$$$ 323241 1016 111283D 323241 43 45 0 1 V2000 0.3308 1.9923 -0.5138 C 0 0 0 0 0 0 0 0 0 0.3984 0.6123 -0.5725 C 0 0 0 0 0 0 0 0 0 1.5046 2.7436 -0.5597 C 0 0 0 0 0 0 0 0 0 2.7034 2.0878 -0.6631 C 0 0 0 0 0 0 0 0 0 1.5613 -0.0037 -0.6720 N 0 0 0 0 0 0 0 0 0 2.7104 0.6848 -0.7191 C 0 0 0 0 0 0 0 0 0 3.9447 -0.0091 -0.8269 C 0 0 0 0 0 0 0 0 0 5.0741 0.6573 -0.8058 N 0 0 0 0 0 0 0 0 0 7.0436 -0.2175 0.1985 C 0 0 0 0 0 0 0 0 0 6.5228 0.3942 1.6868 Se 0 0 0 0 0 0 0 0 0 9.4657 -0.1980 -0.2229 C 0 0 0 0 0 0 0 0 0 8.2265 -0.9068 0.0988 N 0 0 0 0 0 0 0 0 0 10.5868 -0.6375 0.7119 C 0 0 0 0 0 0 0 0 0 8.2559 -2.3569 0.3247 C 0 0 0 0 0 0 0 0 0 11.0182 -2.0670 0.3994 C 0 0 0 0 0 0 0 0 0 10.3980 -3.0313 1.4130 C 0 0 0 0 0 0 0 0 0 10.1805 -0.4962 2.1712 C 0 0 0 0 0 0 0 0 0 8.9456 -2.6176 1.6706 C 0 0 0 0 0 0 0 0 0 8.9326 -1.3181 2.4813 C 0 0 0 0 0 0 0 0 0 3.9509 -1.5103 -0.9655 C 0 0 0 0 0 0 0 0 0 6.2957 -0.0285 -0.9044 N 0 0 0 0 0 0 0 0 0 -0.6260 2.4846 -0.4368 H 0 0 0 0 0 0 0 0 0 -0.5096 0.0321 -0.5365 H 0 0 0 0 0 0 0 0 0 1.4706 3.8207 -0.5152 H 0 0 0 0 0 0 0 0 0 3.6273 2.6434 -0.7011 H 0 0 0 0 0 0 0 0 0 9.7486 -0.4166 -1.2523 H 0 0 0 0 0 0 0 0 0 9.3072 0.8748 -0.1154 H 0 0 0 0 0 0 0 0 0 11.4415 0.0170 0.5456 H 0 0 0 0 0 0 0 0 0 7.2387 -2.7467 0.3511 H 0 0 0 0 0 0 0 0 0 8.8154 -2.8414 -0.4753 H 0 0 0 0 0 0 0 0 0 10.6866 -2.3339 -0.6038 H 0 0 0 0 0 0 0 0 0 12.1042 -2.1365 0.4511 H 0 0 0 0 0 0 0 0 0 10.4233 -4.0449 1.0146 H 0 0 0 0 0 0 0 0 0 10.9597 -2.9900 2.3460 H 0 0 0 0 0 0 0 0 0 10.9990 -0.8389 2.8037 H 0 0 0 0 0 0 0 0 0 9.9796 0.5527 2.3855 H 0 0 0 0 0 0 0 0 0 8.4237 -3.4079 2.2095 H 0 0 0 0 0 0 0 0 0 8.9102 -1.5547 3.5443 H 0 0 0 0 0 0 0 0 0 8.0546 -0.7461 2.2256 H 0 0 0 0 0 0 0 0 0 2.9266 -1.8752 -1.0372 H 0 0 0 0 0 0 0 0 0 4.4994 -1.7882 -1.8651 H 0 0 0 0 0 0 0 0 0 4.4339 -1.9523 -0.0943 H 0 0 0 0 0 0 0 0 0 6.5959 -0.3647 -1.7629 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 23 1 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 9 12 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 M END > 323241 > K $$$$ 324368 1016 111283D 324368 93 92 1 2 V2000 -2.4515 -19.3153 -15.5415 O 0 0 0 0 0 0 0 0 0 -3.4739 -21.7521 -17.0923 O 0 0 0 0 0 0 0 0 0 -5.2867 -20.6402 -19.5656 O 0 0 0 0 0 0 0 0 0 -6.5012 -21.1318 -20.0883 O 0 0 0 0 0 0 0 0 0 -8.2714 -20.1858 -18.9435 O 0 5 0 0 0 0 0 0 0 -6.6762 -20.1971 -18.9725 P 0 0 0 0 0 0 0 0 0 -6.1365 -19.1920 -17.8796 O 0 0 0 0 0 0 0 0 0 -9.4483 -18.3813 -18.8959 N 0 3 0 0 0 0 0 0 0 -1.2566 -18.6040 -15.2859 C 0 0 0 0 0 0 0 0 0 -0.7038 -19.1881 -13.9942 C 0 0 0 0 0 0 0 0 0 -1.6559 -18.9974 -12.8129 C 0 0 0 0 0 0 0 0 0 -1.0495 -19.6068 -11.5488 C 0 0 0 0 0 0 0 0 0 -1.9508 -19.4347 -10.3238 C 0 0 0 0 0 0 0 0 0 -2.3311 -17.9902 -9.9890 C 0 0 0 0 0 0 0 0 0 -1.1200 -17.0757 -9.7866 C 0 0 0 0 0 0 0 0 0 -1.5322 -15.6631 -9.3714 C 0 0 0 0 0 0 0 0 0 -2.2159 -14.9138 -10.5172 C 0 0 0 0 0 0 0 0 0 -2.6471 -13.4986 -10.1255 C 0 0 0 0 0 0 0 0 0 -3.5986 -13.4264 -8.9259 C 0 0 0 0 0 0 0 0 0 -4.9179 -14.1662 -9.1633 C 0 0 0 0 0 0 0 0 0 -5.8352 -14.1483 -7.9368 C 0 0 0 0 0 0 0 0 0 -5.3129 -14.9229 -6.7202 C 0 0 0 0 0 0 0 0 0 -4.9564 -16.3864 -7.0094 C 0 0 0 0 0 0 0 0 0 -6.1440 -17.2313 -7.4803 C 0 0 0 0 0 0 0 0 0 -5.7233 -18.6792 -7.7402 C 0 0 0 0 0 0 0 0 0 -6.9251 -19.5336 -8.1446 C 0 0 0 0 0 0 0 0 0 -2.7791 -19.3911 -16.9300 C 0 0 0 0 0 0 0 0 0 -3.8751 -20.3983 -17.3315 C 0 0 1 0 0 0 0 0 0 -3.2426 -22.0265 -15.7197 C 0 0 0 0 0 0 0 0 0 -4.1835 -20.1325 -18.8333 C 0 0 0 0 0 0 0 0 0 -7.3875 -18.9856 -17.2339 C 0 0 0 0 0 0 0 0 0 -8.3531 -18.0081 -17.9382 C 0 0 0 0 0 0 0 0 0 -10.4767 -19.3342 -18.4242 C 0 0 0 0 0 0 0 0 0 -10.2343 -17.1193 -18.9123 C 0 0 0 0 0 0 0 0 0 -9.1309 -18.4705 -20.3461 C 0 0 0 0 0 0 0 0 0 -0.5121 -18.7396 -16.0604 H 0 0 0 0 0 0 0 0 0 -1.4602 -17.5480 -15.1700 H 0 0 0 0 0 0 0 0 0 -0.5498 -20.2430 -14.1642 H 0 0 0 0 0 0 0 0 0 0.2454 -18.7214 -13.7795 H 0 0 0 0 0 0 0 0 0 -1.8338 -17.9413 -12.6714 H 0 0 0 0 0 0 0 0 0 -2.5978 -19.4783 -13.0420 H 0 0 0 0 0 0 0 0 0 -0.8954 -20.6650 -11.7115 H 0 0 0 0 0 0 0 0 0 -0.0863 -19.1569 -11.3562 H 0 0 0 0 0 0 0 0 0 -2.8616 -19.9911 -10.4949 H 0 0 0 0 0 0 0 0 0 -1.4514 -19.8685 -9.4696 H 0 0 0 0 0 0 0 0 0 -2.9669 -17.6091 -10.7748 H 0 0 0 0 0 0 0 0 0 -2.9086 -18.0001 -9.0768 H 0 0 0 0 0 0 0 0 0 -0.4958 -17.4984 -9.0110 H 0 0 0 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H 0 0 0 0 0 0 0 0 0 -8.7804 -19.4456 -20.6479 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 6 1 0 0 0 0 3 30 1 0 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 30 1 0 0 0 0 28 75 1 1 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 32 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 34 90 1 0 0 0 0 35 91 1 0 0 0 0 35 92 1 0 0 0 0 35 93 1 0 0 0 0 M CHG 2 5 -1 8 1 M END > 324368 > K $$$$ 325319 1016 111283D 325319 168171 1 1 V2000 -4.5681 2.1768 -19.1598 C 0 0 0 0 0 0 0 0 0 -3.7458 2.8204 -20.2273 C 0 0 0 0 0 0 0 0 0 -4.0655 1.5195 -18.2758 O 0 0 0 0 0 0 0 0 0 -5.9077 2.3723 -19.2332 O 0 0 0 0 0 0 0 0 0 -6.7072 1.6191 -18.3392 C 0 0 1 0 0 0 0 0 0 -6.6594 2.3378 -16.9750 C 0 0 0 0 0 0 0 0 0 -7.1201 3.7908 -17.0779 C 0 0 0 0 0 0 0 0 0 -7.4004 1.6508 -15.8303 C 0 0 0 0 0 0 0 0 0 -8.0607 1.5695 -19.0249 C 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 -6.5486 5.9008 -24.9287 C 0 0 1 0 0 0 0 0 0 -5.5311 6.3113 -25.8767 N 0 0 0 0 0 0 0 0 0 -5.8827 7.0914 -27.0379 C 0 0 0 0 0 0 0 0 0 -4.2140 5.9558 -25.5922 C 0 0 0 0 0 0 0 0 0 -3.9962 5.2168 -24.6931 O 0 0 0 0 0 0 0 0 0 -2.9604 6.4588 -26.2799 C 0 0 1 0 0 0 0 0 0 -6.5586 4.4025 -24.4957 C 0 0 0 0 0 0 0 0 0 -6.8489 3.2927 -25.5205 C 0 0 0 0 0 0 0 0 0 -8.1777 2.6009 -25.1937 C 0 0 0 0 0 0 0 0 0 -6.7957 3.7085 -26.9966 C 0 0 0 0 0 0 0 0 0 -2.6185 5.6665 -27.5507 C 0 0 0 0 0 0 0 0 0 -1.8443 6.6830 -28.3865 C 0 0 0 0 0 0 0 0 0 -2.5361 8.0136 -28.0864 C 0 0 0 0 0 0 0 0 0 -2.7974 7.8160 -26.6874 N 0 0 0 0 0 0 0 0 0 -2.8995 8.8137 -25.7420 C 0 0 0 0 0 0 0 0 0 -3.0000 8.4754 -24.5828 O 0 0 0 0 0 0 0 0 0 -2.9010 10.2856 -26.0778 C 0 0 1 0 0 0 0 0 0 -4.0413 10.9683 -25.5828 O 0 0 0 0 0 0 0 0 0 -1.6534 10.9664 -25.4998 C 0 0 0 0 0 0 0 0 0 -2.3808 3.9622 -22.8531 C 0 0 0 0 0 0 0 0 0 -1.1010 5.6318 -21.4841 C 0 0 0 0 0 0 0 0 0 -0.4461 6.7677 -22.2710 C 0 0 0 0 0 0 0 0 0 -2.7688 6.0307 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0 0 0 0 0 0 0 0 -5.8099 4.0968 -27.2324 H 0 0 0 0 0 0 0 0 0 -6.9827 2.8361 -27.6143 H 0 0 0 0 0 0 0 0 0 -2.0430 4.7924 -27.3353 H 0 0 0 0 0 0 0 0 0 -3.5068 5.3789 -28.0926 H 0 0 0 0 0 0 0 0 0 -0.8209 6.7361 -28.0286 H 0 0 0 0 0 0 0 0 0 -1.8637 6.4485 -29.4482 H 0 0 0 0 0 0 0 0 0 -1.8682 8.8359 -28.2934 H 0 0 0 0 0 0 0 0 0 -3.4605 8.1083 -28.6296 H 0 0 0 0 0 0 0 0 0 -2.8891 10.4081 -27.1548 H 0 0 0 0 0 0 0 0 0 -4.1820 10.7245 -24.6736 H 0 0 0 0 0 0 0 0 0 -0.7601 10.5073 -25.9056 H 0 0 0 0 0 0 0 0 0 -1.6792 12.0123 -25.7745 H 0 0 0 0 0 0 0 0 0 -1.6539 10.8780 -24.4203 H 0 0 0 0 0 0 0 0 0 -1.6982 4.0931 -23.6784 H 0 0 0 0 0 0 0 0 0 -2.0116 3.1610 -22.2344 H 0 0 0 0 0 0 0 0 0 -3.3439 3.6772 -23.2446 H 0 0 0 0 0 0 0 0 0 -1.1817 5.9571 -20.4594 H 0 0 0 0 0 0 0 0 0 -0.4436 4.7746 -21.4995 H 0 0 0 0 0 0 0 0 0 0.5291 6.9805 -21.8574 H 0 0 0 0 0 0 0 0 0 -0.3375 6.4945 -23.3112 H 0 0 0 0 0 0 0 0 0 -1.0571 7.6571 -22.2011 H 0 0 0 0 0 0 0 0 0 -6.8512 12.6905 -18.5582 H 0 0 0 0 0 0 0 0 0 -6.9737 13.1534 -16.8739 H 0 0 0 0 0 0 0 0 0 -7.2062 11.4777 -17.3278 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 2 49 1 0 0 0 0 2 83 1 0 0 0 0 2 84 1 0 0 0 0 4 5 1 0 0 0 0 5 9 1 1 0 0 0 5 6 1 6 0 0 0 5 85 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 86 1 0 0 0 0 7 87 1 0 0 0 0 7 88 1 0 0 0 0 7 89 1 0 0 0 0 8 90 1 0 0 0 0 8 91 1 0 0 0 0 8 92 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 6 0 0 0 11 93 1 1 0 0 0 12 94 1 0 0 0 0 12 95 1 0 0 0 0 12 96 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 97 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 6 0 0 0 16 98 1 1 0 0 0 17 18 1 0 0 0 0 17 99 1 0 0 0 0 17100 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18101 1 0 0 0 0 19102 1 0 0 0 0 19103 1 0 0 0 0 19104 1 0 0 0 0 20105 1 0 0 0 0 20106 1 0 0 0 0 20107 1 0 0 0 0 21 78 2 0 0 0 0 21 22 1 0 0 0 0 22 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23108 1 0 0 0 0 23109 1 0 0 0 0 24 25 1 0 0 0 0 24110 1 0 0 0 0 24111 1 0 0 0 0 25 26 1 0 0 0 0 25112 1 0 0 0 0 25113 1 0 0 0 0 26 27 1 6 0 0 0 26114 1 1 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 31 1 0 0 0 0 29 30 1 0 0 0 0 30115 1 0 0 0 0 30116 1 0 0 0 0 30117 1 0 0 0 0 31 39 1 6 0 0 0 31 32 1 0 0 0 0 31118 1 1 0 0 0 32 33 1 0 0 0 0 32119 1 0 0 0 0 32120 1 0 0 0 0 33 34 2 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34121 1 0 0 0 0 35 36 2 0 0 0 0 35122 1 0 0 0 0 36 79 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37123 1 0 0 0 0 38124 1 0 0 0 0 39 41 1 0 0 0 0 39 40 2 0 0 0 0 41 42 1 0 0 0 0 42 44 1 1 0 0 0 42 43 1 0 0 0 0 42125 1 6 0 0 0 43126 1 0 0 0 0 43127 1 0 0 0 0 43128 1 0 0 0 0 44 53 1 1 0 0 0 44 45 1 6 0 0 0 44129 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 47130 1 0 0 0 0 48 49 1 6 0 0 0 48 52 1 1 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 49 82 1 6 0 0 0 50131 1 0 0 0 0 52 75 1 6 0 0 0 52 74 1 1 0 0 0 52 77 1 0 0 0 0 53 54 1 0 0 0 0 53132 1 0 0 0 0 54 81 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 1 0 0 0 55 61 1 0 0 0 0 55133 1 0 0 0 0 56 58 1 0 0 0 0 56 57 1 0 0 0 0 57134 1 0 0 0 0 57135 1 0 0 0 0 57136 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 60 68 1 0 0 0 0 60 65 1 1 0 0 0 60137 1 6 0 0 0 61 62 1 0 0 0 0 61138 1 0 0 0 0 61139 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 62140 1 0 0 0 0 63141 1 0 0 0 0 63142 1 0 0 0 0 63143 1 0 0 0 0 64144 1 0 0 0 0 64145 1 0 0 0 0 64146 1 0 0 0 0 65 66 1 0 0 0 0 65147 1 0 0 0 0 65148 1 0 0 0 0 66 67 1 0 0 0 0 66149 1 0 0 0 0 66150 1 0 0 0 0 67 68 1 0 0 0 0 67151 1 0 0 0 0 67152 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 69 71 1 0 0 0 0 71 72 1 6 0 0 0 71 73 1 0 0 0 0 71153 1 1 0 0 0 72154 1 0 0 0 0 73155 1 0 0 0 0 73156 1 0 0 0 0 73157 1 0 0 0 0 74158 1 0 0 0 0 74159 1 0 0 0 0 74160 1 0 0 0 0 75 76 1 0 0 0 0 75161 1 0 0 0 0 75162 1 0 0 0 0 76163 1 0 0 0 0 76164 1 0 0 0 0 76165 1 0 0 0 0 79 80 1 0 0 0 0 80166 1 0 0 0 0 80167 1 0 0 0 0 80168 1 0 0 0 0 M END > 325319 > K $$$$ 326231 1016 111283D 326231 32 31 1 2 V2000 -4.9043 -2.4867 3.9465 S 0 0 0 0 0 0 0 0 0 -3.6160 -2.5494 3.8846 O 0 0 0 0 0 0 0 0 0 -5.3439 -5.4639 3.1087 C 0 0 0 0 0 0 0 0 0 -5.7049 -6.6080 3.3864 O 0 0 0 0 0 0 0 0 0 -4.4484 -4.8450 3.9251 O 0 0 0 0 0 0 0 0 0 -5.8947 -4.7640 1.8964 C 0 0 1 0 0 0 0 0 0 -7.0789 -4.0109 2.3126 N 0 0 0 0 0 0 0 0 0 -4.8320 -3.8005 1.3454 C 0 0 0 0 0 0 0 0 0 -4.9064 -2.4131 2.0347 C 0 0 0 0 0 0 0 0 0 -3.9516 -2.5817 4.9685 N 0 0 0 0 0 0 0 0 0 -6.4727 -2.4776 5.0526 C 0 0 0 0 0 0 0 0 0 -6.7260 -3.7648 5.8751 C 0 0 0 0 0 0 0 0 0 -8.0911 -3.8073 6.5689 C 0 0 0 0 0 0 0 0 0 -8.2768 -2.7291 7.6356 C 0 0 0 0 0 0 0 0 0 -4.0388 -5.6002 4.3808 H 0 0 0 0 0 0 0 0 0 -6.1415 -5.5190 1.1549 H 0 0 0 0 0 0 0 0 0 -7.7111 -4.6549 2.7643 H 0 0 0 0 0 0 0 0 0 -7.5967 -3.7267 1.4958 H 0 0 0 0 0 0 0 0 0 -3.8496 -4.2462 1.4524 H 0 0 0 0 0 0 0 0 0 -5.0006 -3.6803 0.2811 H 0 0 0 0 0 0 0 0 0 -5.8123 -1.9584 1.6252 H 0 0 0 0 0 0 0 0 0 -4.1176 -1.8021 1.5822 H 0 0 0 0 0 0 0 0 0 -3.9903 -2.6408 5.9698 H 0 0 0 0 0 0 0 0 0 -6.5731 -1.6196 5.7262 H 0 0 0 0 0 0 0 0 0 -7.3822 -2.3916 4.4512 H 0 0 0 0 0 0 0 0 0 -6.6900 -4.6317 5.2289 H 0 0 0 0 0 0 0 0 0 -5.9712 -3.8918 6.6402 H 0 0 0 0 0 0 0 0 0 -8.8894 -3.7327 5.8431 H 0 0 0 0 0 0 0 0 0 -8.1848 -4.7671 7.0603 H 0 0 0 0 0 0 0 0 0 -9.2224 -2.8955 8.1336 H 0 0 0 0 0 0 0 0 0 -7.4921 -2.7885 8.3767 H 0 0 0 0 0 0 0 0 0 -8.2952 -1.7402 7.2028 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 10 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 1 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 M CHG 1 1 4 M END > 326231 > K $$$$ 326397 1016 111283D 326397 15 16 0 1 V2000 0.0192 0.0068 0.0036 Cl 0 0 0 0 0 0 0 0 0 -2.7321 1.5399 0.0470 Cl 0 0 0 0 0 0 0 0 0 -0.0160 1.7472 0.0147 C 0 0 0 0 0 0 0 0 0 -1.2337 2.4264 0.0336 C 0 0 0 0 0 0 0 0 0 1.1880 2.4442 0.0046 C 0 0 0 0 0 0 0 0 0 -1.2721 3.8172 0.0416 C 0 0 0 0 0 0 0 0 0 1.1407 3.8294 0.0132 C 0 0 0 0 0 0 0 0 0 -0.0654 4.4996 0.0310 C 0 0 0 0 0 0 0 0 0 2.1432 4.7260 0.0067 N 0 0 0 0 0 0 0 0 0 0.2068 5.8114 0.0349 N 0 0 0 0 0 0 0 0 0 -0.4407 6.5340 0.0461 H 0 0 0 0 0 0 0 0 0 1.5506 5.9414 0.0202 C 0 0 0 0 0 0 0 0 0 2.1081 1.9386 -0.0091 H 0 0 0 0 0 0 0 0 0 -2.1850 4.3352 0.0554 H 0 0 0 0 0 0 0 0 0 2.0708 6.8560 0.0193 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 10 11 1 0 0 0 0 12 15 1 0 0 0 0 M END > 326397 > K $$$$ 327697 1016 111283D 327697 38 40 0 1 V2000 1.5629 9.9113 -1.4716 Cl 0 0 0 0 0 0 0 0 0 1.0424 8.2956 -1.0901 C 0 0 0 0 0 0 0 0 0 -0.3119 7.9768 -1.1363 C 0 0 0 0 0 0 0 0 0 1.9852 7.3349 -0.7421 C 0 0 0 0 0 0 0 0 0 -0.7507 6.6912 -0.8367 C 0 0 0 0 0 0 0 0 0 -2.4458 6.3014 -0.8976 Cl 0 0 0 0 0 0 0 0 0 1.5361 6.0565 -0.4440 C 0 0 0 0 0 0 0 0 0 0.1910 5.7315 -0.4897 C 0 0 0 0 0 0 0 0 0 -0.0063 4.4237 -0.1624 N 0 0 0 0 0 0 0 0 0 -0.8649 3.9742 -0.1284 H 0 0 0 0 0 0 0 0 0 2.2741 4.8235 -0.0430 C 0 0 0 0 0 0 0 0 0 1.1778 3.8184 0.1152 C 0 0 0 0 0 0 0 0 0 3.5042 4.6511 0.1220 N 0 0 0 0 0 0 0 0 0 1.2956 2.6602 0.4344 O 0 0 0 0 0 0 0 0 0 4.3159 5.6006 0.0521 N 0 0 0 0 0 0 0 0 0 6.4834 6.5948 -0.0110 C 0 0 0 0 0 0 0 0 0 5.9873 7.8754 0.1877 C 0 0 0 0 0 0 0 0 0 7.8471 6.4306 -0.2117 C 0 0 0 0 0 0 0 0 0 6.8397 8.9702 0.1896 C 0 0 0 0 0 0 0 0 0 8.6917 7.5344 -0.2105 C 0 0 0 0 0 0 0 0 0 8.2120 8.8294 -0.0104 C 0 0 0 0 0 0 0 0 0 9.0719 9.9111 -0.0126 N 0 0 0 0 0 0 0 0 0 5.5524 5.4149 -0.0072 C 0 0 0 0 0 0 0 0 0 8.6472 11.2927 0.0704 C 0 0 0 0 0 0 0 0 0 10.5018 9.7222 -0.1029 C 0 0 0 0 0 0 0 0 0 -1.0101 8.7154 -1.4005 H 0 0 0 0 0 0 0 0 0 3.0057 7.5750 -0.7077 H 0 0 0 0 0 0 0 0 0 4.9597 8.0243 0.3398 H 0 0 0 0 0 0 0 0 0 8.2457 5.4709 -0.3668 H 0 0 0 0 0 0 0 0 0 6.4062 9.9075 0.3495 H 0 0 0 0 0 0 0 0 0 9.7151 7.3680 -0.3665 H 0 0 0 0 0 0 0 0 0 5.9371 4.4382 -0.0556 H 0 0 0 0 0 0 0 0 0 7.5925 11.4483 0.2144 H 0 0 0 0 0 0 0 0 0 9.1552 11.7741 0.8941 H 0 0 0 0 0 0 0 0 0 8.9231 11.7966 -0.8449 H 0 0 0 0 0 0 0 0 0 10.8429 9.1244 0.7306 H 0 0 0 0 0 0 0 0 0 10.7546 9.2278 -1.0297 H 0 0 0 0 0 0 0 0 0 11.0335 10.6635 -0.0756 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 10 1 0 0 0 0 11 13 2 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 15 23 2 0 0 0 0 16 23 1 0 0 0 0 16 18 2 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 M END > 327697 > K $$$$ 328426 1016 111283D 328426 109115 1 1 V2000 -33.8002 -11.2348 20.5392 H 0 0 0 0 0 0 0 0 0 -33.7975 -11.8246 21.4100 C 0 0 0 0 0 0 0 0 0 -32.6820 -11.8492 22.1552 C 0 0 0 0 0 0 0 0 0 -32.5986 -12.4750 22.9921 H 0 0 0 0 0 0 0 0 0 -31.6334 -10.2023 20.8697 O 0 0 0 0 0 0 0 0 0 -31.5214 -10.9719 21.7949 C 0 0 0 0 0 0 0 0 0 -30.3577 -11.0339 22.4997 O 0 0 0 0 0 0 0 0 0 -17.8180 -15.3268 26.4388 C 0 0 1 0 0 0 0 0 0 -29.1805 -9.3629 23.7468 C 0 0 1 0 0 0 0 0 0 -19.0275 -14.9015 25.6020 C 0 0 1 0 0 0 0 0 0 -17.0786 -16.6562 28.2311 O 0 0 0 0 0 0 0 0 0 -18.1389 -16.5556 27.2968 C 0 0 1 0 0 0 0 0 0 -28.0981 -10.2561 24.3449 C 0 0 0 0 0 0 0 0 0 -29.5547 -9.8735 22.3523 C 0 0 1 0 0 0 0 0 0 -26.9744 -10.1166 23.5023 O 0 0 0 0 0 0 0 0 0 -28.3303 -10.1386 21.4722 C 0 0 0 0 0 0 0 0 0 -24.4361 -14.7477 28.8780 C 0 0 1 0 0 0 0 0 0 -20.1220 -14.7193 26.4790 O 0 0 0 0 0 0 0 0 0 -19.4397 -16.3787 28.0770 C 0 0 1 0 0 0 0 0 0 -27.1632 -10.7466 22.2517 C 0 0 1 0 0 0 0 0 0 -22.7194 -13.0296 28.4921 O 0 0 0 0 0 0 0 0 0 -23.5199 -14.0289 27.8875 C 0 0 1 0 0 0 0 0 0 -20.5270 -15.9219 27.1107 C 0 0 1 0 0 0 0 0 0 -25.2924 -15.6990 28.0277 C 0 0 1 0 0 0 0 0 0 -25.6326 -10.5008 20.0340 C 0 0 0 0 0 0 0 0 0 -25.8175 -10.6775 21.5355 C 0 0 1 0 0 0 0 0 0 -27.2995 -12.1124 22.6044 O 0 0 0 0 0 0 0 0 0 -25.2691 -9.5079 20.9729 O 0 0 0 0 0 0 0 0 0 -26.0366 -12.7332 22.4431 C 0 0 1 0 0 0 0 0 0 -24.9760 -11.6386 22.3327 C 0 0 1 0 0 0 0 0 0 -21.6906 -15.6773 27.8716 O 0 0 0 0 0 0 0 0 0 -22.6784 -15.0299 27.0895 C 0 0 1 0 0 0 0 0 0 -24.5367 -16.6078 27.2498 O 0 0 0 0 0 0 0 0 0 -23.6678 -12.1905 21.7770 C 0 0 0 0 0 0 0 0 0 -25.5921 -13.6848 23.5526 C 0 0 0 0 0 0 0 0 0 -23.6157 -16.0005 26.3696 C 0 0 1 0 0 0 0 0 0 -24.2286 -14.2711 23.1482 C 0 0 1 0 0 0 0 0 0 -23.1713 -13.2112 22.8013 C 0 0 0 0 0 0 0 0 0 -23.6455 -15.0750 24.2647 C 0 0 0 0 0 0 0 0 0 -24.3548 -15.2766 25.4079 O 0 0 0 0 0 0 0 0 0 -22.5359 -15.5356 24.1274 O 0 0 0 0 0 0 0 0 0 -35.0533 -12.5867 21.7485 C 0 0 0 0 0 0 0 0 0 -36.0961 -12.5885 20.8272 C 0 0 0 0 0 0 0 0 0 -37.2746 -13.2720 21.0961 C 0 0 0 0 0 0 0 0 0 -37.4212 -13.9606 22.2924 C 0 0 0 0 0 0 0 0 0 -36.3821 -13.9691 23.2137 C 0 0 0 0 0 0 0 0 0 -35.2043 -13.2842 22.9432 C 0 0 0 0 0 0 0 0 0 -30.4083 -9.2941 24.6540 C 0 0 0 0 0 0 0 0 0 -16.7169 -15.5878 25.5922 O 0 0 0 0 0 0 0 0 0 -18.7431 -13.5967 24.8568 C 0 0 0 0 0 0 0 0 0 -16.2892 -17.7613 28.1618 C 0 0 0 0 0 0 0 0 0 -15.0982 -17.6078 28.2768 O 0 0 0 0 0 0 0 0 0 -16.8333 -19.1458 27.9558 C 0 0 0 0 0 0 0 0 0 -23.7975 -15.4244 29.9458 O 0 0 0 0 0 0 0 0 0 -19.8105 -17.5850 28.7159 O 0 0 0 0 0 0 0 0 0 -26.1298 -16.5790 28.9389 C 0 0 0 0 0 0 0 0 0 -22.2411 -12.1449 27.5748 C 0 0 0 0 0 0 0 0 0 -22.4267 -12.2989 26.3924 O 0 0 0 0 0 0 0 0 0 -21.4790 -10.9535 28.0299 C 0 0 0 0 0 0 0 0 0 -17.5918 -14.5118 27.1117 H 0 0 0 0 0 0 0 0 0 -28.7619 -8.3709 23.6497 H 0 0 0 0 0 0 0 0 0 -19.2556 -15.6582 24.8637 H 0 0 0 0 0 0 0 0 0 -18.2364 -17.4030 26.6312 H 0 0 0 0 0 0 0 0 0 -27.8378 -9.9032 25.3322 H 0 0 0 0 0 0 0 0 0 -28.4291 -11.2848 24.4166 H 0 0 0 0 0 0 0 0 0 -30.1040 -9.0645 21.8873 H 0 0 0 0 0 0 0 0 0 -28.6020 -10.7825 20.6488 H 0 0 0 0 0 0 0 0 0 -27.9956 -9.1886 21.0829 H 0 0 0 0 0 0 0 0 0 -25.0842 -14.0023 29.3164 H 0 0 0 0 0 0 0 0 0 -19.2981 -15.5901 28.8026 H 0 0 0 0 0 0 0 0 0 -24.2061 -13.5234 27.2206 H 0 0 0 0 0 0 0 0 0 -20.7268 -16.7023 26.3876 H 0 0 0 0 0 0 0 0 0 -25.9374 -15.1250 27.3754 H 0 0 0 0 0 0 0 0 0 -24.7710 -10.9513 19.5630 H 0 0 0 0 0 0 0 0 0 -26.4626 -10.1807 19.4230 H 0 0 0 0 0 0 0 0 0 -26.0952 -13.2865 21.5140 H 0 0 0 0 0 0 0 0 0 -24.8006 -11.1966 23.3053 H 0 0 0 0 0 0 0 0 0 -22.2068 -14.4581 26.3103 H 0 0 0 0 0 0 0 0 0 -23.8294 -12.6652 20.8206 H 0 0 0 0 0 0 0 0 0 -22.9466 -11.3928 21.6658 H 0 0 0 0 0 0 0 0 0 -25.5015 -13.1401 24.4829 H 0 0 0 0 0 0 0 0 0 -26.3238 -14.4715 23.6794 H 0 0 0 0 0 0 0 0 0 -23.0319 -16.7877 25.9096 H 0 0 0 0 0 0 0 0 0 -24.3654 -14.9130 22.2887 H 0 0 0 0 0 0 0 0 0 -22.2875 -13.7031 22.4202 H 0 0 0 0 0 0 0 0 0 -22.9013 -12.6785 23.7030 H 0 0 0 0 0 0 0 0 0 -35.9972 -12.0708 19.9183 H 0 0 0 0 0 0 0 0 0 -38.0579 -13.2645 20.3962 H 0 0 0 0 0 0 0 0 0 -38.3111 -14.4791 22.4977 H 0 0 0 0 0 0 0 0 0 -36.4890 -14.4892 24.1192 H 0 0 0 0 0 0 0 0 0 -34.4336 -13.3023 23.6538 H 0 0 0 0 0 0 0 0 0 -30.1306 -8.9060 25.6230 H 0 0 0 0 0 0 0 0 0 -31.1472 -8.6415 24.2128 H 0 0 0 0 0 0 0 0 0 -30.8319 -10.2805 24.7777 H 0 0 0 0 0 0 0 0 0 -15.9747 -15.8671 26.1250 H 0 0 0 0 0 0 0 0 0 -19.6188 -13.2843 24.3065 H 0 0 0 0 0 0 0 0 0 -18.4725 -12.8173 25.5536 H 0 0 0 0 0 0 0 0 0 -17.9286 -13.7460 24.1626 H 0 0 0 0 0 0 0 0 0 -17.9091 -19.1343 28.0352 H 0 0 0 0 0 0 0 0 0 -16.5470 -19.4961 26.9758 H 0 0 0 0 0 0 0 0 0 -16.4400 -19.8137 28.7082 H 0 0 0 0 0 0 0 0 0 -23.0677 -14.9013 30.2652 H 0 0 0 0 0 0 0 0 0 -20.6446 -17.4360 29.1597 H 0 0 0 0 0 0 0 0 0 -26.6953 -17.2766 28.3404 H 0 0 0 0 0 0 0 0 0 -25.4491 -17.1257 29.5728 H 0 0 0 0 0 0 0 0 0 -26.7965 -15.9844 29.5444 H 0 0 0 0 0 0 0 0 0 -22.0293 -10.0838 27.7115 H 0 0 0 0 0 0 0 0 0 -21.3939 -10.9615 29.1043 H 0 0 0 0 0 0 0 0 0 -20.5049 -10.9920 27.5684 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 42 1 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 3 4 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 8 49 1 0 0 0 0 8 12 1 6 0 0 0 8 10 1 0 0 0 0 8 60 1 1 0 0 0 9 14 1 1 0 0 0 9 13 1 0 0 0 0 9 48 1 6 0 0 0 9 61 1 0 0 0 0 10 18 1 0 0 0 0 10 50 1 1 0 0 0 10 62 1 6 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 12 19 1 1 0 0 0 12 63 1 6 0 0 0 13 15 1 0 0 0 0 13 64 1 0 0 0 0 13 65 1 0 0 0 0 14 16 1 1 0 0 0 14 66 1 0 0 0 0 15 20 1 0 0 0 0 16 20 1 0 0 0 0 16 67 1 0 0 0 0 16 68 1 0 0 0 0 17 54 1 0 0 0 0 17 22 1 1 0 0 0 17 24 1 6 0 0 0 17 69 1 0 0 0 0 18 23 1 0 0 0 0 19 55 1 6 0 0 0 19 23 1 0 0 0 0 19 70 1 1 0 0 0 20 27 1 6 0 0 0 20 26 1 1 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 22 32 1 6 0 0 0 22 71 1 1 0 0 0 23 31 1 1 0 0 0 23 72 1 6 0 0 0 24 33 1 0 0 0 0 24 56 1 6 0 0 0 24 73 1 1 0 0 0 25 28 1 0 0 0 0 25 26 1 0 0 0 0 25 74 1 0 0 0 0 25 75 1 0 0 0 0 26 28 1 6 0 0 0 26 30 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 35 1 6 0 0 0 29 76 1 1 0 0 0 30 34 1 1 0 0 0 30 77 1 6 0 0 0 31 32 1 0 0 0 0 32 36 1 6 0 0 0 32 78 1 1 0 0 0 33 36 1 0 0 0 0 34 38 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 37 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 40 1 1 0 0 0 36 83 1 6 0 0 0 37 39 1 6 0 0 0 37 38 1 0 0 0 0 37 84 1 1 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 42 43 2 0 0 0 0 42 47 1 0 0 0 0 43 44 1 0 0 0 0 43 87 1 0 0 0 0 44 45 2 0 0 0 0 44 88 1 0 0 0 0 45 46 1 0 0 0 0 45 89 1 0 0 0 0 46 47 2 0 0 0 0 46 90 1 0 0 0 0 47 91 1 0 0 0 0 48 92 1 0 0 0 0 48 93 1 0 0 0 0 48 94 1 0 0 0 0 49 95 1 0 0 0 0 50 96 1 0 0 0 0 50 97 1 0 0 0 0 50 98 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 99 1 0 0 0 0 53100 1 0 0 0 0 53101 1 0 0 0 0 54102 1 0 0 0 0 55103 1 0 0 0 0 56104 1 0 0 0 0 56105 1 0 0 0 0 56106 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 59107 1 0 0 0 0 59108 1 0 0 0 0 59109 1 0 0 0 0 M END > 328426 > K $$$$ 328477 1016 111283D 328477 32 33 0 2 V2000 -0.0467 1.4975 0.2929 C 0 0 0 0 0 0 0 0 0 0.9268 1.9501 -0.5837 C 0 0 0 0 0 0 0 0 0 0.1183 0.3037 0.9869 C 0 0 0 0 0 0 0 0 0 1.2872 -0.4453 0.8079 C 0 0 0 0 0 0 0 0 0 2.0740 1.1963 -0.7730 C 0 0 0 0 0 0 0 0 0 2.2580 -0.0020 -0.0909 C 0 0 0 0 0 0 0 0 0 3.5392 -0.7512 -0.3882 C 0 0 0 0 0 0 0 0 0 4.3448 -0.1548 -1.0599 O 0 0 0 0 0 0 0 0 0 4.9824 -2.7225 -0.1708 C 0 0 0 0 0 0 0 0 0 5.2201 -3.8862 0.5672 C 0 0 0 0 0 0 0 0 0 5.9380 -2.3225 -1.1037 C 0 0 0 0 0 0 0 0 0 7.1025 -3.0511 -1.3004 C 0 0 0 0 0 0 0 0 0 6.3822 -4.6261 0.3587 C 0 0 0 0 0 0 0 0 0 7.3240 -4.2071 -0.5690 C 0 0 0 0 0 0 0 0 0 6.7150 -6.0950 1.2378 Cl 0 0 0 0 0 0 0 0 0 -0.9029 -0.0621 1.8163 N 0 3 0 0 0 0 0 0 0 -1.9067 0.6760 1.9372 O 0 0 0 0 0 0 0 0 0 -0.9019 -1.2938 2.5930 O 0 5 0 0 0 0 0 0 0 1.5604 -1.6072 1.4630 O 0 0 0 0 0 0 0 0 0 3.8229 -2.0158 0.0442 N 0 0 0 0 0 0 0 0 0 4.2246 -4.3579 1.5985 C 0 0 0 0 0 0 0 0 0 -0.9171 2.0696 0.4289 H 0 0 0 0 0 0 0 0 0 0.7967 2.8560 -1.1011 H 0 0 0 0 0 0 0 0 0 2.8091 1.5400 -1.4421 H 0 0 0 0 0 0 0 0 0 5.8023 -1.4621 -1.6839 H 0 0 0 0 0 0 0 0 0 7.8142 -2.7277 -2.0023 H 0 0 0 0 0 0 0 0 0 8.2018 -4.7649 -0.7165 H 0 0 0 0 0 0 0 0 0 0.9210 -1.8247 2.1339 H 0 0 0 0 0 0 0 0 0 3.1345 -2.4562 0.5547 H 0 0 0 0 0 0 0 0 0 3.3347 -4.7100 1.0968 H 0 0 0 0 0 0 0 0 0 4.6128 -5.1589 2.2082 H 0 0 0 0 0 0 0 0 0 3.9662 -3.5414 2.2568 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 4 2 0 0 0 0 4 19 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 9 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 21 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 M CHG 2 16 1 18 -1 M END > 328477 > K $$$$ 328587 1016 111283D 328587 23 25 0 2 V2000 -0.0296 1.6960 0.2267 O 0 3 0 0 0 0 0 0 0 1.2227 2.0642 0.1696 N 0 5 0 0 0 0 0 0 0 2.0162 1.2557 -0.5802 C 0 0 0 0 0 0 0 0 0 3.4439 1.1343 -0.9966 C 0 0 0 0 0 0 0 0 0 1.1897 0.3025 -1.0579 C 0 0 0 0 0 0 0 0 0 3.7587 -0.3211 -1.4742 C 0 0 0 0 0 0 0 0 0 -0.2148 0.4751 -0.5883 Se 0 2 0 0 0 0 0 0 0 1.3116 -0.7762 -1.8559 C 0 0 0 0 0 0 0 0 0 2.6970 -1.0279 -2.3774 C 0 0 0 0 0 0 0 0 0 0.0460 -1.2890 -1.9119 N 0 0 0 0 0 0 0 0 0 -0.8825 -0.6769 -1.2369 O 0 0 0 0 0 0 0 0 0 5.0892 -0.3081 -2.2230 C 0 0 0 0 0 0 0 0 0 3.9792 -1.1910 -0.2340 C 0 0 0 0 0 0 0 0 0 3.6092 1.8246 -1.8130 H 0 0 0 0 0 0 0 0 0 4.0962 1.4321 -0.1859 H 0 0 0 0 0 0 0 0 0 2.7639 -0.6075 -3.3731 H 0 0 0 0 0 0 0 0 0 2.9056 -2.0873 -2.4575 H 0 0 0 0 0 0 0 0 0 5.3834 -1.3113 -2.5013 H 0 0 0 0 0 0 0 0 0 5.0235 0.2877 -3.1223 H 0 0 0 0 0 0 0 0 0 5.8713 0.1075 -1.6016 H 0 0 0 0 0 0 0 0 0 4.2865 -2.1866 -0.5272 H 0 0 0 0 0 0 0 0 0 4.7818 -0.7764 0.3630 H 0 0 0 0 0 0 0 0 0 3.1046 -1.2687 0.3896 H 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M CHG 3 1 1 2 -1 7 2 M END > 328587 > K $$$$ 328786 1016 111283D 328786 30 31 0 1 V2000 0.8669 3.3041 -0.3124 C 0 0 0 0 0 0 0 0 0 1.6909 2.7756 -1.2946 C 0 0 0 0 0 0 0 0 0 1.1479 3.0589 1.0247 C 0 0 0 0 0 0 0 0 0 2.7875 2.0066 -0.9315 C 0 0 0 0 0 0 0 0 0 2.2447 2.2867 1.3927 C 0 0 0 0 0 0 0 0 0 3.0747 1.7492 0.4070 C 0 0 0 0 0 0 0 0 0 4.6241 -0.0204 -0.0602 C 0 0 0 0 0 0 0 0 0 3.9107 -0.4504 -0.9347 O 0 0 0 0 0 0 0 0 0 5.9910 -0.6292 0.0975 C 0 0 0 0 0 0 0 0 0 6.2543 -1.8356 -0.5404 C 0 0 0 0 0 0 0 0 0 6.9894 -0.0236 0.8536 C 0 0 0 0 0 0 0 0 0 7.4997 -2.4370 -0.4207 C 0 0 0 0 0 0 0 0 0 8.2367 -0.6248 0.9706 C 0 0 0 0 0 0 0 0 0 8.4965 -1.8328 0.3347 C 0 0 0 0 0 0 0 0 0 4.1592 0.9823 0.7359 N 0 0 0 0 0 0 0 0 0 2.4603 2.0827 2.7242 N 0 0 0 0 0 0 0 0 0 9.7157 -2.4212 0.4487 N 0 0 0 0 0 0 0 0 0 0.0348 3.8865 -0.5801 H 0 0 0 0 0 0 0 0 0 1.4876 2.9556 -2.3094 H 0 0 0 0 0 0 0 0 0 0.5221 3.4622 1.7650 H 0 0 0 0 0 0 0 0 0 3.4057 1.6188 -1.6861 H 0 0 0 0 0 0 0 0 0 5.5060 -2.2975 -1.1163 H 0 0 0 0 0 0 0 0 0 6.8115 0.8906 1.3388 H 0 0 0 0 0 0 0 0 0 7.6860 -3.3509 -0.9031 H 0 0 0 0 0 0 0 0 0 8.9880 -0.1647 1.5423 H 0 0 0 0 0 0 0 0 0 4.6159 1.1516 1.5714 H 0 0 0 0 0 0 0 0 0 1.8787 2.4936 3.3835 H 0 0 0 0 0 0 0 0 0 3.1902 1.5273 3.0349 H 0 0 0 0 0 0 0 0 0 10.4169 -2.0035 0.9737 H 0 0 0 0 0 0 0 0 0 9.8972 -3.2657 0.0056 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 18 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 3 20 1 0 0 0 0 4 6 2 0 0 0 0 4 21 1 0 0 0 0 5 16 1 0 0 0 0 5 6 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 7 9 1 0 0 0 0 9 11 2 0 0 0 0 9 10 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 17 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M END > 328786 > K $$$$ 329277 1016 111283D 329277 38 40 0 1 V2000 -1.6358 0.7755 -1.9047 C 0 0 0 0 0 0 0 0 0 -1.3300 -1.0730 -0.3548 O 0 0 0 0 0 0 0 0 0 -1.1340 1.5345 -2.9529 C 0 0 0 0 0 0 0 0 0 -0.9036 -0.2930 -1.3934 C 0 0 0 0 0 0 0 0 0 0.3345 -0.6017 -1.9541 C 0 0 0 0 0 0 0 0 0 0.1000 1.2215 -3.5051 C 0 0 0 0 0 0 0 0 0 0.8295 0.1434 -3.0177 C 0 0 0 0 0 0 0 0 0 2.6473 0.4803 -4.5341 N 0 0 0 0 0 0 0 0 0 6.0197 -0.2993 -7.0041 O 0 0 0 0 0 0 0 0 0 3.6942 0.1607 -5.1455 N 0 0 0 0 0 0 0 0 0 5.4497 0.7451 -6.8009 C 0 0 0 0 0 0 0 0 0 4.2983 0.9837 -5.8730 C 0 0 0 0 0 0 0 0 0 5.7706 1.9201 -7.4034 N 0 0 0 0 0 0 0 0 0 6.4825 2.0200 -8.0547 H 0 0 0 0 0 0 0 0 0 4.9572 2.9190 -6.9627 C 0 0 0 0 0 0 0 0 0 4.0509 2.4458 -6.0296 C 0 0 0 0 0 0 0 0 0 4.9510 4.2575 -7.3307 C 0 0 0 0 0 0 0 0 0 3.1297 3.2848 -5.4198 C 0 0 0 0 0 0 0 0 0 6.0733 4.8604 -8.5163 Cl 0 0 0 0 0 0 0 0 0 3.1292 4.6270 -5.7818 C 0 0 0 0 0 0 0 0 0 4.0272 5.1074 -6.7311 C 0 0 0 0 0 0 0 0 0 1.9932 5.7149 -5.0389 Cl 0 0 0 0 0 0 0 0 0 -2.6595 -0.9132 0.0977 C 0 0 0 0 0 0 0 0 0 -2.9053 -1.9678 1.1682 C 0 0 0 0 0 0 0 0 0 1.0946 -1.6300 -1.4868 O 0 0 0 0 0 0 0 0 0 2.1511 -0.2289 -3.6294 C 0 0 0 0 0 0 0 0 0 -2.5740 1.0182 -1.5023 H 0 0 0 0 0 0 0 0 0 -1.6876 2.3447 -3.3282 H 0 0 0 0 0 0 0 0 0 0.4786 1.8025 -4.2932 H 0 0 0 0 0 0 0 0 0 2.4523 2.9219 -4.7055 H 0 0 0 0 0 0 0 0 0 4.0068 6.1228 -6.9974 H 0 0 0 0 0 0 0 0 0 -2.8091 0.0651 0.5340 H 0 0 0 0 0 0 0 0 0 -3.3525 -1.0614 -0.7199 H 0 0 0 0 0 0 0 0 0 -3.9173 -1.8879 1.5367 H 0 0 0 0 0 0 0 0 0 -2.7506 -2.9494 0.7455 H 0 0 0 0 0 0 0 0 0 -2.2142 -1.8204 1.9851 H 0 0 0 0 0 0 0 0 0 0.6463 -2.0479 -0.7561 H 0 0 0 0 0 0 0 0 0 2.6566 -1.0876 -3.2937 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 3 2 0 0 0 0 1 27 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 6 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 5 25 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 26 2 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 15 17 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 M END > 329277 > K $$$$ 329279 1016 111283D 329279 27 29 0 1 V2000 0.8608 1.7559 -0.3051 C 0 0 0 0 0 0 0 0 0 -0.4311 1.2700 -0.3673 C 0 0 0 0 0 0 0 0 0 1.7972 0.7497 -0.1920 O 0 0 0 0 0 0 0 0 0 1.0184 -0.3891 -0.1883 C 0 0 0 0 0 0 0 0 0 -0.3300 -0.1010 -0.2919 C 0 0 0 0 0 0 0 0 0 0.8384 -2.7735 -0.0686 N 0 0 0 0 0 0 0 0 0 1.2993 -3.9371 0.0040 N 0 0 0 0 0 0 0 0 0 2.0707 -6.8326 0.1327 O 0 0 0 0 0 0 0 0 0 0.9491 -6.3867 0.1126 C 0 0 0 0 0 0 0 0 0 0.5542 -4.9441 0.0502 C 0 0 0 0 0 0 0 0 0 -0.1794 -7.1434 0.1442 N 0 0 0 0 0 0 0 0 0 -0.1807 -8.1127 0.1842 H 0 0 0 0 0 0 0 0 0 -1.2869 -6.3504 0.1116 C 0 0 0 0 0 0 0 0 0 -0.9350 -5.0126 0.0572 C 0 0 0 0 0 0 0 0 0 -2.6249 -6.7218 0.1262 C 0 0 0 0 0 0 0 0 0 -1.8917 -4.0092 0.0200 C 0 0 0 0 0 0 0 0 0 -3.0887 -8.3980 0.1903 Cl 0 0 0 0 0 0 0 0 0 -3.5937 -5.7240 0.0882 C 0 0 0 0 0 0 0 0 0 -3.2309 -4.3809 0.0365 C 0 0 0 0 0 0 0 0 0 -4.4611 -3.1518 -0.0082 Cl 0 0 0 0 0 0 0 0 0 1.5900 -1.7718 -0.0834 C 0 0 0 0 0 0 0 0 0 1.1036 2.7779 -0.3401 H 0 0 0 0 0 0 0 0 0 -1.3128 1.8336 -0.4546 H 0 0 0 0 0 0 0 0 0 -1.1213 -0.7893 -0.3096 H 0 0 0 0 0 0 0 0 0 -1.6170 -2.9979 -0.0197 H 0 0 0 0 0 0 0 0 0 -4.6105 -5.9865 0.0986 H 0 0 0 0 0 0 0 0 0 2.6321 -1.8882 -0.0222 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 21 1 0 0 0 0 4 5 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 21 2 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 21 27 1 0 0 0 0 M END > 329279 > K $$$$ 330516 1016 111283D 330516 71 75 1 1 V2000 9.8186 1.9284 -1.7947 O 0 0 0 0 0 0 0 0 0 10.5157 -2.5800 0.1431 O 0 0 0 0 0 0 0 0 0 11.4853 -0.0543 -0.4022 O 0 0 0 0 0 0 0 0 0 10.8630 4.6768 -2.2312 O 0 0 0 0 0 0 0 0 0 11.0823 6.0567 -1.8750 C 0 0 0 0 0 0 0 0 0 10.3522 -0.2040 0.3505 C 0 0 0 0 0 0 0 0 0 10.2474 2.7322 -0.7770 C 0 0 0 0 0 0 0 0 0 10.7262 4.0142 -1.0424 C 0 0 0 0 0 0 0 0 0 11.5758 6.0186 -0.5192 O 0 0 0 0 0 0 0 0 0 9.8641 -1.4772 0.6254 C 0 0 0 0 0 0 0 0 0 9.6811 0.9102 0.8407 C 0 0 0 0 0 0 0 0 0 10.2013 2.2794 0.5406 C 0 0 0 0 0 0 0 0 0 8.7133 -1.6264 1.3974 C 0 0 0 0 0 0 0 0 0 8.2323 -2.8754 1.6727 O 0 0 0 0 0 0 0 0 0 11.1532 4.8221 -0.0134 C 0 0 0 0 0 0 0 0 0 8.5321 0.7609 1.6092 C 0 0 0 0 0 0 0 0 0 10.6310 3.0972 1.5828 C 0 0 0 0 0 0 0 0 0 11.1108 4.3750 1.3070 C 0 0 0 0 0 0 0 0 0 8.0486 -0.5100 1.8874 C 0 0 0 0 0 0 0 0 0 10.5797 2.6116 3.0075 C 0 0 0 0 0 0 0 0 0 7.8073 1.9730 2.1376 C 0 0 1 0 0 0 0 0 0 8.1911 2.1768 3.6141 C 0 0 1 0 0 0 0 0 0 9.3412 3.1869 3.7002 C 0 0 1 0 0 0 0 0 0 8.1772 3.1338 1.3856 O 0 0 0 0 0 0 0 0 0 7.5233 3.4202 0.2326 C 0 0 0 0 0 0 0 0 0 6.9062 2.5618 -0.3453 O 0 0 0 0 0 0 0 0 0 10.6638 1.7189 -2.9355 C 0 0 0 0 0 0 0 0 0 10.4661 -2.8771 -1.2595 C 0 0 0 0 0 0 0 0 0 12.7647 -0.3659 0.1669 C 0 0 0 0 0 0 0 0 0 7.0524 -3.0282 2.4744 C 0 0 0 0 0 0 0 0 0 9.6648 3.4691 5.1698 C 0 0 0 0 0 0 0 0 0 6.9808 2.7197 4.3819 C 0 0 0 0 0 0 0 0 0 8.5958 0.9392 4.1839 O 0 0 0 0 0 0 0 0 0 7.5710 4.8053 -0.3152 C 0 0 0 0 0 0 0 0 0 8.1345 5.8301 0.4414 C 0 0 0 0 0 0 0 0 0 8.1702 7.1215 -0.0744 C 0 0 0 0 0 0 0 0 0 7.6446 7.3808 -1.3367 C 0 0 0 0 0 0 0 0 0 7.0831 6.3534 -2.0889 C 0 0 0 0 0 0 0 0 0 7.0472 5.0593 -1.5801 C 0 0 0 0 0 0 0 0 0 11.8141 6.5215 -2.5446 H 0 0 0 0 0 0 0 0 0 10.1417 6.6206 -1.9257 H 0 0 0 0 0 0 0 0 0 11.4403 4.9979 2.1026 H 0 0 0 0 0 0 0 0 0 7.1676 -0.6281 2.4756 H 0 0 0 0 0 0 0 0 0 10.5276 1.5254 3.0179 H 0 0 0 0 0 0 0 0 0 11.4724 2.9344 3.5333 H 0 0 0 0 0 0 0 0 0 6.7358 1.8098 2.0718 H 0 0 0 0 0 0 0 0 0 9.0483 4.1136 3.2106 H 0 0 0 0 0 0 0 0 0 11.6035 1.2622 -2.6257 H 0 0 0 0 0 0 0 0 0 10.1641 1.0525 -3.6427 H 0 0 0 0 0 0 0 0 0 10.8714 2.6661 -3.4289 H 0 0 0 0 0 0 0 0 0 10.9825 -2.1043 -1.8257 H 0 0 0 0 0 0 0 0 0 10.9536 -3.8379 -1.4462 H 0 0 0 0 0 0 0 0 0 9.4315 -2.9371 -1.5943 H 0 0 0 0 0 0 0 0 0 13.5370 -0.2802 -0.6022 H 0 0 0 0 0 0 0 0 0 12.9940 0.3301 0.9734 H 0 0 0 0 0 0 0 0 0 12.7669 -1.3812 0.5577 H 0 0 0 0 0 0 0 0 0 7.2130 -2.5926 3.4604 H 0 0 0 0 0 0 0 0 0 6.2099 -2.5288 1.9961 H 0 0 0 0 0 0 0 0 0 6.8199 -4.0868 2.5875 H 0 0 0 0 0 0 0 0 0 10.4789 4.1847 5.2298 H 0 0 0 0 0 0 0 0 0 8.7895 3.8815 5.6621 H 0 0 0 0 0 0 0 0 0 9.9553 2.5431 5.6593 H 0 0 0 0 0 0 0 0 0 6.1660 2.0047 4.3211 H 0 0 0 0 0 0 0 0 0 7.2489 2.8676 5.4234 H 0 0 0 0 0 0 0 0 0 6.6701 3.6659 3.9475 H 0 0 0 0 0 0 0 0 0 7.8552 0.3350 4.1156 H 0 0 0 0 0 0 0 0 0 8.5374 5.6364 1.4096 H 0 0 0 0 0 0 0 0 0 8.5995 7.9114 0.4954 H 0 0 0 0 0 0 0 0 0 7.6730 8.3697 -1.7291 H 0 0 0 0 0 0 0 0 0 6.6817 6.5579 -3.0532 H 0 0 0 0 0 0 0 0 0 6.6204 4.2738 -2.1624 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 27 1 0 0 0 0 2 10 1 0 0 0 0 2 28 1 0 0 0 0 3 6 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 15 2 0 0 0 0 9 15 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 30 1 0 0 0 0 15 18 1 0 0 0 0 16 21 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 18 2 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 6 0 0 0 21 22 1 1 0 0 0 21 46 1 0 0 0 0 22 33 1 1 0 0 0 22 23 1 6 0 0 0 22 32 1 0 0 0 0 23 31 1 1 0 0 0 23 47 1 6 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 34 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 37 69 1 0 0 0 0 38 39 2 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 M END > 330516 > K $$$$ 330753 1016 111283D 330753 80 84 1 1 V2000 0.4933 1.3998 0.3943 C 0 0 2 0 0 0 0 0 0 -0.8560 0.7814 0.5258 C 0 0 0 0 0 0 0 0 0 -2.1227 1.3227 2.6680 C 0 0 2 0 0 0 0 0 0 2.0050 3.1580 1.3088 O 0 0 0 0 0 0 0 0 0 -1.7054 2.2117 4.8147 O 0 0 0 0 0 0 0 0 0 -0.4281 3.5063 1.7526 C 0 0 1 0 0 0 0 0 0 -1.3007 3.1330 1.2320 H 0 0 0 0 0 0 0 0 0 -1.7895 4.7289 3.3864 C 0 0 2 0 0 0 0 0 0 0.4261 6.7128 1.1753 O 0 0 0 0 0 0 0 0 0 -1.7002 6.1606 0.7761 H 0 0 0 0 0 0 0 0 0 -1.0037 0.6251 2.0164 C 0 0 0 0 0 0 0 0 0 -0.0385 -0.0130 2.6750 C 0 0 0 0 0 0 0 0 0 1.1834 -0.4770 1.8910 C 0 0 2 0 0 0 0 0 0 1.5345 0.3197 0.6613 C 0 0 0 0 0 0 0 0 0 0.7107 2.4995 1.5617 C 0 0 1 0 0 0 0 0 0 -1.5669 2.3321 3.6455 C 0 0 0 0 0 0 0 0 0 -0.7765 3.5926 3.1551 C 0 0 1 0 0 0 0 0 0 -1.1311 6.0417 2.9119 C 0 0 0 0 0 0 0 0 0 -0.8444 6.0019 1.3777 C 0 0 2 0 0 0 0 0 0 -0.0222 4.7197 1.0003 C 0 0 1 0 0 0 0 0 0 1.1151 5.5452 1.6462 C 0 0 0 0 0 0 0 0 0 1.0986 -1.8597 1.6074 O 0 0 0 0 0 0 0 0 0 -0.2197 -0.3115 4.1544 C 0 0 0 0 0 0 0 0 0 0.7658 1.9813 -0.8674 O 0 0 0 0 0 0 0 0 0 4.4413 2.9084 1.3069 C 0 0 0 0 0 0 0 0 0 5.5877 2.4166 1.9326 C 0 0 0 0 0 0 0 0 0 6.8219 2.5888 1.3374 C 0 0 0 0 0 0 0 0 0 6.9225 3.2477 0.1243 C 0 0 0 0 0 0 0 0 0 5.7883 3.7377 -0.5008 C 0 0 0 0 0 0 0 0 0 4.5485 3.5718 0.0834 C 0 0 0 0 0 0 0 0 0 -2.9580 0.3518 3.4320 O 0 0 0 0 0 0 0 0 0 -4.1206 0.7494 3.9779 C 0 0 0 0 0 0 0 0 0 -4.5927 1.8198 3.6772 O 0 0 0 0 0 0 0 0 0 -4.8340 -0.1395 4.9635 C 0 0 0 0 0 0 0 0 0 3.1164 2.7222 1.9362 C 0 0 0 0 0 0 0 0 0 3.0287 2.1767 3.0167 O 0 0 0 0 0 0 0 0 0 -1.9847 1.5315 -0.2315 C 0 0 0 0 0 0 0 0 0 -0.7999 -0.6101 -0.1134 C 0 0 0 0 0 0 0 0 0 0.3442 3.7366 4.0789 C 0 0 0 0 0 0 0 0 0 0.0590 4.5943 -0.3822 O 0 0 0 0 0 0 0 0 0 -1.0083 4.8847 -1.1444 C 0 0 0 0 0 0 0 0 0 -2.1140 4.5558 -0.7857 O 0 0 0 0 0 0 0 0 0 -0.8253 5.6201 -2.4465 C 0 0 0 0 0 0 0 0 0 -2.0714 4.8519 4.7573 O 0 0 0 0 0 0 0 0 0 -2.7909 1.8315 2.0173 H 0 0 0 0 0 0 0 0 0 -2.7122 4.5692 2.8595 H 0 0 0 0 0 0 0 0 0 2.0388 -0.3691 2.6859 H 0 0 0 0 0 0 0 0 0 1.7395 -0.3306 -0.1411 H 0 0 0 0 0 0 0 0 0 2.4583 0.8356 0.8887 H 0 0 0 0 0 0 0 0 0 0.8213 1.9054 2.5162 H 0 0 0 0 0 0 0 0 0 -1.7637 6.9083 3.0665 H 0 0 0 0 0 0 0 0 0 -0.1753 6.1909 3.4290 H 0 0 0 0 0 0 0 0 0 2.0917 5.5006 1.0475 H 0 0 0 0 0 0 0 0 0 1.2714 5.5589 2.6847 H 0 0 0 0 0 0 0 0 0 1.0560 -2.3158 2.4575 H 0 0 0 0 0 0 0 0 0 0.6628 -0.8272 4.5319 H 0 0 0 0 0 0 0 0 0 -0.3579 0.6203 4.7018 H 0 0 0 0 0 0 0 0 0 -1.0963 -0.9455 4.2899 H 0 0 0 0 0 0 0 0 0 1.6618 2.3408 -0.8209 H 0 0 0 0 0 0 0 0 0 5.5113 1.9035 2.8785 H 0 0 0 0 0 0 0 0 0 7.7093 2.2094 1.8190 H 0 0 0 0 0 0 0 0 0 7.8888 3.3802 -0.3362 H 0 0 0 0 0 0 0 0 0 5.8736 4.2502 -1.4460 H 0 0 0 0 0 0 0 0 0 3.6659 3.9540 -0.4052 H 0 0 0 0 0 0 0 0 0 -4.1885 -0.3207 5.8226 H 0 0 0 0 0 0 0 0 0 -5.7509 0.3478 5.2943 H 0 0 0 0 0 0 0 0 0 -5.0785 -1.0883 4.4864 H 0 0 0 0 0 0 0 0 0 -1.6793 1.7023 -1.2635 H 0 0 0 0 0 0 0 0 0 -2.8934 0.9300 -0.2162 H 0 0 0 0 0 0 0 0 0 -2.1807 2.4847 0.2475 H 0 0 0 0 0 0 0 0 0 -0.1987 -1.2717 0.5078 H 0 0 0 0 0 0 0 0 0 -1.8092 -1.0109 -0.1983 H 0 0 0 0 0 0 0 0 0 -0.3526 -0.5370 -1.1044 H 0 0 0 0 0 0 0 0 0 0.8068 4.7101 3.9409 H 0 0 0 0 0 0 0 0 0 -0.0197 3.6500 5.1020 H 0 0 0 0 0 0 0 0 0 1.0766 2.9544 3.8859 H 0 0 0 0 0 0 0 0 0 -0.3672 6.5903 -2.2547 H 0 0 0 0 0 0 0 0 0 -0.1812 5.0381 -3.1051 H 0 0 0 0 0 0 0 0 0 -1.7955 5.7642 -2.9215 H 0 0 0 0 0 0 0 0 0 -2.7092 5.5721 4.8483 H 0 0 0 0 0 0 0 0 0 1 24 1 6 0 0 0 1 15 1 1 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 31 1 0 0 0 0 3 16 1 1 0 0 0 3 11 1 6 0 0 0 3 45 1 0 0 0 0 4 15 1 0 0 0 0 4 35 1 0 0 0 0 5 16 2 0 0 0 0 6 20 1 6 0 0 0 6 15 1 0 0 0 0 6 17 1 1 0 0 0 6 7 1 0 0 0 0 8 44 1 1 0 0 0 8 17 1 0 0 0 0 8 18 1 6 0 0 0 8 46 1 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 22 1 0 0 0 0 13 14 1 6 0 0 0 13 47 1 1 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 1 0 0 0 16 17 1 0 0 0 0 17 39 1 1 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 6 0 0 0 20 40 1 6 0 0 0 20 21 1 1 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 25 35 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 28 2 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 29 30 2 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 36 2 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 M END > 330753 > K $$$$ 330770 1016 111283D 330770 40 42 0 1 V2000 -1.4780 1.0515 3.3174 O 0 0 0 0 0 0 0 0 0 -2.4469 -0.9492 3.3312 O 0 0 0 0 0 0 0 0 0 -1.4598 -0.2889 3.1119 C 0 0 0 0 0 0 0 0 0 0.6867 -2.9779 2.9542 N 0 0 0 0 0 0 0 0 0 -0.3165 -2.2487 2.4497 C 0 0 0 0 0 0 0 0 0 0.7559 -4.3053 2.7901 C 0 0 0 0 0 0 0 0 0 -1.3363 -2.8520 1.7179 C 0 0 0 0 0 0 0 0 0 -0.2406 -4.9639 2.0668 C 0 0 0 0 0 0 0 0 0 -1.2963 -4.2279 1.5148 C 0 0 0 0 0 0 0 0 0 -0.2095 -6.3226 1.8832 N 0 0 0 0 0 0 0 0 0 -2.2643 -4.8908 0.7798 N 0 0 0 0 0 0 0 0 0 -3.1734 -4.5414 0.7056 H 0 0 0 0 0 0 0 0 0 -1.8793 -6.1346 0.1141 C 0 0 0 0 0 0 0 0 0 -0.9430 -6.9030 1.0235 C 0 0 0 0 0 0 0 0 0 -2.6685 1.6746 3.8317 C 0 0 0 0 0 0 0 0 0 -2.4318 3.1851 3.9715 C 0 0 0 0 0 0 0 0 0 -0.3318 -0.8901 2.6603 N 0 0 0 0 0 0 0 0 0 1.8101 -4.9990 3.3350 N 0 0 0 0 0 0 0 0 0 -0.8894 -8.3846 0.8951 C 0 0 0 0 0 0 0 0 0 -1.3973 -9.0070 -0.2439 C 0 0 0 0 0 0 0 0 0 -1.3400 -10.3904 -0.3512 C 0 0 0 0 0 0 0 0 0 -0.7817 -11.1439 0.6744 C 0 0 0 0 0 0 0 0 0 -0.2772 -10.5215 1.8101 C 0 0 0 0 0 0 0 0 0 -0.3260 -9.1380 1.9230 C 0 0 0 0 0 0 0 0 0 -2.1335 -2.2621 1.3152 H 0 0 0 0 0 0 0 0 0 -2.7628 -6.7356 -0.0964 H 0 0 0 0 0 0 0 0 0 -1.3655 -5.9085 -0.8214 H 0 0 0 0 0 0 0 0 0 -3.5015 1.5064 3.1503 H 0 0 0 0 0 0 0 0 0 -2.9133 1.2609 4.8093 H 0 0 0 0 0 0 0 0 0 -2.1916 3.6043 2.9965 H 0 0 0 0 0 0 0 0 0 -3.3294 3.6621 4.3603 H 0 0 0 0 0 0 0 0 0 -1.6034 3.3588 4.6552 H 0 0 0 0 0 0 0 0 0 0.4607 -0.3532 2.4887 H 0 0 0 0 0 0 0 0 0 2.5019 -4.5364 3.8372 H 0 0 0 0 0 0 0 0 0 1.8679 -5.9637 3.2189 H 0 0 0 0 0 0 0 0 0 -1.8283 -8.4313 -1.0368 H 0 0 0 0 0 0 0 0 0 -1.7250 -10.8756 -1.2215 H 0 0 0 0 0 0 0 0 0 -0.7395 -12.2082 0.5891 H 0 0 0 0 0 0 0 0 0 0.1490 -11.1069 2.5955 H 0 0 0 0 0 0 0 0 0 0.0681 -8.6628 2.7977 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 5 2 0 0 0 0 5 17 1 0 0 0 0 5 7 1 0 0 0 0 6 18 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END > 330770 > K $$$$ 331757 1016 111283D 331757 57 59 1 1 V2000 6.9781 -13.3422 -7.7853 C 0 0 0 0 0 0 0 0 0 6.8642 -12.3557 -8.7470 C 0 0 0 0 0 0 0 0 0 7.1162 -13.0065 -6.4490 C 0 0 0 0 0 0 0 0 0 6.8859 -11.0192 -8.3868 C 0 0 0 0 0 0 0 0 0 7.1399 -11.6680 -6.0694 C 0 0 0 0 0 0 0 0 0 7.0230 -10.6642 -7.0479 C 0 0 0 0 0 0 0 0 0 7.4448 -12.1645 -3.8069 O 0 0 0 0 0 0 0 0 0 7.2873 -11.2997 -4.6457 C 0 0 0 0 0 0 0 0 0 7.0455 -9.2405 -6.6529 C 0 0 0 0 0 0 0 0 0 6.9969 -8.3729 -7.5020 O 0 0 0 0 0 0 0 0 0 7.2433 -9.8779 -4.2435 C 0 0 0 0 0 0 0 0 0 7.1267 -8.8731 -5.2214 C 0 0 0 0 0 0 0 0 0 7.3196 -9.5294 -2.8996 C 0 0 0 0 0 0 0 0 0 7.0872 -7.5349 -4.8401 C 0 0 0 0 0 0 0 0 0 7.2780 -8.1846 -2.5285 C 0 0 0 0 0 0 0 0 0 7.1640 -7.1928 -3.5030 C 0 0 0 0 0 0 0 0 0 7.3577 -7.8100 -1.0988 C 0 0 0 0 0 0 0 0 0 7.8590 -8.5739 -0.2974 O 0 0 0 0 0 0 0 0 0 7.4269 -8.2920 4.6242 N 0 0 0 0 0 0 0 0 0 6.8744 -6.6216 -0.6856 N 0 0 0 0 0 0 0 0 0 6.9533 -6.2507 0.7295 C 0 0 1 0 0 0 0 0 0 6.8606 -4.7295 0.8639 C 0 0 0 0 0 0 0 0 0 5.7979 -6.9015 1.4925 C 0 0 0 0 0 0 0 0 0 6.1576 -6.9992 2.9765 C 0 0 0 0 0 0 0 0 0 7.0845 -8.1960 3.1989 C 0 0 0 0 0 0 0 0 0 7.8820 -9.6692 4.8572 C 0 0 0 0 0 0 0 0 0 6.6734 -10.5659 5.1329 C 0 0 0 0 0 0 0 0 0 8.5903 -7.4210 4.8384 C 0 0 0 0 0 0 0 0 0 8.6851 -7.0520 6.3201 C 0 0 0 0 0 0 0 0 0 6.9549 -14.3816 -8.0776 H 0 0 0 0 0 0 0 0 0 6.7578 -12.6295 -9.7864 H 0 0 0 0 0 0 0 0 0 7.2049 -13.7821 -5.7028 H 0 0 0 0 0 0 0 0 0 6.7971 -10.2534 -9.1431 H 0 0 0 0 0 0 0 0 0 7.4105 -10.2969 -2.1453 H 0 0 0 0 0 0 0 0 0 6.9969 -6.7628 -5.5900 H 0 0 0 0 0 0 0 0 0 7.1338 -6.1533 -3.2114 H 0 0 0 0 0 0 0 0 0 6.4743 -6.0119 -1.3251 H 0 0 0 0 0 0 0 0 0 7.9014 -6.5949 1.1430 H 0 0 0 0 0 0 0 0 0 5.9126 -4.3853 0.4505 H 0 0 0 0 0 0 0 0 0 6.9193 -4.4536 1.9168 H 0 0 0 0 0 0 0 0 0 7.6838 -4.2658 0.3203 H 0 0 0 0 0 0 0 0 0 4.8988 -6.2964 1.3757 H 0 0 0 0 0 0 0 0 0 5.6174 -7.9006 1.0958 H 0 0 0 0 0 0 0 0 0 6.6629 -6.0854 3.2888 H 0 0 0 0 0 0 0 0 0 5.2482 -7.1301 3.5629 H 0 0 0 0 0 0 0 0 0 7.9950 -8.0639 2.6145 H 0 0 0 0 0 0 0 0 0 6.5801 -9.1096 2.8840 H 0 0 0 0 0 0 0 0 0 8.4096 -10.0316 3.9750 H 0 0 0 0 0 0 0 0 0 8.5530 -9.6897 5.7159 H 0 0 0 0 0 0 0 0 0 6.0865 -10.1440 5.9488 H 0 0 0 0 0 0 0 0 0 6.0563 -10.6298 4.2367 H 0 0 0 0 0 0 0 0 0 7.0162 -11.5629 5.4097 H 0 0 0 0 0 0 0 0 0 9.4970 -7.9449 4.5356 H 0 0 0 0 0 0 0 0 0 8.4792 -6.5139 4.2444 H 0 0 0 0 0 0 0 0 0 8.7550 -7.9612 6.9173 H 0 0 0 0 0 0 0 0 0 9.5713 -6.4394 6.4860 H 0 0 0 0 0 0 0 0 0 7.7967 -6.4925 6.6128 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 30 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 5 2 0 0 0 0 3 32 1 0 0 0 0 4 6 2 0 0 0 0 4 33 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 6 0 0 0 21 38 1 1 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END > 331757 > K $$$$ 335142 1016 111283D 335142 37 40 0 1 V2000 0.3222 1.2907 -1.2159 C 0 0 0 0 0 0 0 0 0 1.5044 1.8469 -1.6956 C 0 0 0 0 0 0 0 0 0 0.3118 0.0257 -0.6361 C 0 0 0 0 0 0 0 0 0 2.6980 1.1395 -1.6119 C 0 0 0 0 0 0 0 0 0 1.5081 -0.6766 -0.5332 C 0 0 0 0 0 0 0 0 0 2.6724 -0.1207 -1.0348 C 0 0 0 0 0 0 0 0 0 3.7102 -1.0058 -0.8565 N 0 0 0 0 0 0 0 0 0 4.6302 -0.8631 -1.1257 H 0 0 0 0 0 0 0 0 0 1.8320 -1.9205 -0.0017 C 0 0 0 0 0 0 0 0 0 3.1819 -2.1186 -0.2296 C 0 0 0 0 0 0 0 0 0 1.0769 -2.8883 0.6557 C 0 0 0 0 0 0 0 0 0 3.8148 -3.2910 0.1529 C 0 0 0 0 0 0 0 0 0 1.6471 -4.1520 0.8771 C 0 0 0 0 0 0 0 0 0 3.0332 -4.3054 0.7101 C 0 0 0 0 0 0 0 0 0 -1.3072 -4.7615 0.5889 O 0 0 0 0 0 0 0 0 0 -0.5772 -5.4722 1.2350 C 0 0 0 0 0 0 0 0 0 3.6586 -5.4862 1.1027 C 0 0 0 0 0 0 0 0 0 0.9256 -5.2912 1.2623 C 0 0 0 0 0 0 0 0 0 2.9159 -6.5250 1.6332 C 0 0 0 0 0 0 0 0 0 1.5825 -6.3891 1.7091 N 0 0 0 0 0 0 0 0 0 -0.3095 -2.5007 1.1030 C 0 0 0 0 0 0 0 0 0 5.3026 -3.4309 -0.0470 C 0 0 0 0 0 0 0 0 0 -1.1833 -6.4594 1.9390 N 0 0 0 0 0 0 0 0 0 -0.5741 1.8335 -1.2934 H 0 0 0 0 0 0 0 0 0 1.4952 2.8062 -2.1236 H 0 0 0 0 0 0 0 0 0 -0.5941 -0.3719 -0.2912 H 0 0 0 0 0 0 0 0 0 3.5959 1.5448 -1.9744 H 0 0 0 0 0 0 0 0 0 4.6953 -5.6149 1.0094 H 0 0 0 0 0 0 0 0 0 3.3815 -7.4055 1.9679 H 0 0 0 0 0 0 0 0 0 -1.0031 -2.5671 0.2778 H 0 0 0 0 0 0 0 0 0 -0.6409 -3.1075 1.9308 H 0 0 0 0 0 0 0 0 0 -0.3021 -1.4908 1.4858 H 0 0 0 0 0 0 0 0 0 5.7748 -3.6526 0.8989 H 0 0 0 0 0 0 0 0 0 5.4949 -4.2330 -0.7444 H 0 0 0 0 0 0 0 0 0 5.7443 -2.5264 -0.4342 H 0 0 0 0 0 0 0 0 0 -0.6602 -7.0790 2.4697 H 0 0 0 0 0 0 0 0 0 -2.1484 -6.5396 1.9077 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 2 4 2 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 21 1 0 0 0 0 11 13 2 0 0 0 0 12 22 1 0 0 0 0 12 14 2 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 16 23 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > 335142 > K $$$$ 336628 1016 111283D 336628 27 28 0 1 V2000 -2.5271 5.6967 0.3430 C 0 0 0 0 0 0 0 0 0 -3.4187 6.4499 -0.4123 C 0 0 0 0 0 0 0 0 0 -3.5970 7.8035 -0.1526 C 0 0 0 0 0 0 0 0 0 -2.8840 8.4173 0.8686 C 0 0 0 0 0 0 0 0 0 -1.9950 7.6739 1.6315 C 0 0 0 0 0 0 0 0 0 -1.8254 6.3213 1.3715 C 0 0 0 0 0 0 0 0 0 -2.3612 4.3670 0.0678 N 0 0 0 0 0 0 0 0 0 -1.2373 3.6678 0.3877 C 0 0 0 0 0 0 0 0 0 -1.3663 2.5046 0.6826 O 0 0 0 0 0 0 0 0 0 0.1238 4.3002 0.3754 C 0 0 0 0 0 0 0 0 0 0.4584 5.3401 -0.6447 C 0 0 0 0 0 0 0 0 0 -0.3405 5.6871 -1.4799 O 0 0 0 0 0 0 0 0 0 1.6860 5.9107 -0.6413 N 0 0 0 0 0 0 0 0 0 2.6135 5.5384 0.2758 C 0 0 0 0 0 0 0 0 0 4.0257 6.2040 0.2700 S 0 0 0 0 0 0 0 0 0 2.3076 4.5849 1.1990 N 0 0 0 0 0 0 0 0 0 1.0855 3.9797 1.2503 C 0 0 0 0 0 0 0 0 0 0.8465 3.0483 2.2044 O 0 0 0 0 0 0 0 0 0 -3.9610 5.9942 -1.1874 H 0 0 0 0 0 0 0 0 0 -4.2719 8.3648 -0.7291 H 0 0 0 0 0 0 0 0 0 -3.0159 9.4404 1.0652 H 0 0 0 0 0 0 0 0 0 -1.4513 8.1313 2.4051 H 0 0 0 0 0 0 0 0 0 -1.1584 5.7730 1.9673 H 0 0 0 0 0 0 0 0 0 -3.0748 3.8808 -0.3742 H 0 0 0 0 0 0 0 0 0 1.8893 6.5878 -1.3043 H 0 0 0 0 0 0 0 0 0 2.9867 4.3307 1.8421 H 0 0 0 0 0 0 0 0 0 1.6276 2.9056 2.7248 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 18 27 1 0 0 0 0 M END > 336628 > K $$$$ 337612 1016 111283D 337612 41 45 0 2 V2000 3.0569 -3.3967 -2.8137 C 0 0 0 0 0 0 0 0 0 2.9192 -2.0488 -2.5580 C 0 0 0 0 0 0 0 0 0 4.1021 -4.1146 -2.2433 C 0 0 0 0 0 0 0 0 0 3.8223 -1.3949 -1.7294 C 0 0 0 0 0 0 0 0 0 5.0073 -3.4733 -1.4160 C 0 3 0 0 0 0 0 0 0 4.8697 -2.1003 -1.1541 C 0 3 0 0 0 0 0 0 0 6.2039 -3.9477 -0.6708 C 0 3 0 0 0 0 0 0 0 6.6419 -5.0805 -0.6517 O 0 0 0 0 0 0 0 0 0 6.7568 -2.7806 0.0398 C 0 0 0 0 0 0 0 0 0 5.9672 -1.6782 -0.2443 C 0 0 0 0 0 0 0 0 0 7.9185 -2.6288 0.9249 C 0 0 0 0 0 0 0 0 0 6.2542 -0.4520 0.2878 N 0 0 0 0 0 0 0 0 0 8.7477 -3.7036 1.2439 C 0 0 0 0 0 0 0 0 0 8.1906 -1.3496 1.4609 C 0 0 0 0 0 0 0 0 0 7.3002 -0.2397 1.1048 C 0 0 0 0 0 0 0 0 0 9.8248 -3.5060 2.0791 C 0 0 0 0 0 0 0 0 0 7.5083 0.8740 1.5498 O 0 0 0 0 0 0 0 0 0 10.0925 -2.2489 2.6064 C 0 0 0 0 0 0 0 0 0 9.2872 -1.1731 2.3048 C 0 0 0 0 0 0 0 0 0 5.3852 0.6788 -0.0471 C 0 0 0 0 0 0 0 0 0 5.6552 1.1178 -1.4632 C 0 0 0 0 0 0 0 0 0 4.6883 1.8087 -2.1688 C 0 0 0 0 0 0 0 0 0 4.9360 2.2113 -3.4681 C 0 0 0 0 0 0 0 0 0 6.1508 1.9233 -4.0611 C 0 0 0 0 0 0 0 0 0 7.1184 1.2330 -3.3549 C 0 0 0 0 0 0 0 0 0 6.8723 0.8343 -2.0546 C 0 0 0 0 0 0 0 0 0 2.3476 -3.8977 -3.4558 H 0 0 0 0 0 0 0 0 0 2.1046 -1.4982 -3.0049 H 0 0 0 0 0 0 0 0 0 4.2071 -5.1704 -2.4454 H 0 0 0 0 0 0 0 0 0 3.7096 -0.3388 -1.5334 H 0 0 0 0 0 0 0 0 0 8.5466 -4.6844 0.8389 H 0 0 0 0 0 0 0 0 0 10.4681 -4.3373 2.3271 H 0 0 0 0 0 0 0 0 0 10.9413 -2.1138 3.2602 H 0 0 0 0 0 0 0 0 0 9.5033 -0.1994 2.7188 H 0 0 0 0 0 0 0 0 0 4.3423 0.3757 0.0468 H 0 0 0 0 0 0 0 0 0 5.5860 1.5056 0.6342 H 0 0 0 0 0 0 0 0 0 3.7390 2.0337 -1.7054 H 0 0 0 0 0 0 0 0 0 4.1801 2.7506 -4.0197 H 0 0 0 0 0 0 0 0 0 6.3440 2.2373 -5.0762 H 0 0 0 0 0 0 0 0 0 8.0675 1.0077 -3.8184 H 0 0 0 0 0 0 0 0 0 7.6296 0.2983 -1.5017 H 0 0 0 0 0 0 0 0 0 1 3 4 0 0 0 0 1 2 4 0 0 0 0 1 27 1 0 0 0 0 2 4 4 0 0 0 0 2 28 1 0 0 0 0 3 5 4 0 0 0 0 3 29 1 0 0 0 0 4 6 4 0 0 0 0 4 30 1 0 0 0 0 5 7 4 0 0 0 0 5 6 4 0 0 0 0 6 10 4 0 0 0 0 7 8 2 0 0 0 0 7 9 4 0 0 0 0 9 11 1 0 0 0 0 9 10 4 0 0 0 0 10 12 1 0 0 0 0 11 14 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 3 5 1 6 1 7 1 M END > 337612 > K $$$$ 337851 1016 111283D 337851 95101 1 1 V2000 4.9169 -3.8012 15.0996 O 0 0 0 0 0 0 0 0 0 4.0842 1.1704 11.9728 O 0 0 0 0 0 0 0 0 0 2.5285 -0.5821 11.7349 C 0 0 1 0 0 0 0 0 0 2.1834 -0.4369 12.7492 H 0 0 0 0 0 0 0 0 0 1.5917 -1.4959 9.9951 H 0 0 0 0 0 0 0 0 0 0.4934 0.2179 10.4172 C 0 0 1 0 0 0 0 0 0 0.1252 0.7685 11.2738 H 0 0 0 0 0 0 0 0 0 0.3673 2.0951 8.9382 C 0 0 2 0 0 0 0 0 0 0.9026 4.9475 7.8219 O 0 0 0 0 0 0 0 0 0 1.6542 6.8520 10.4945 S 0 0 0 0 0 0 0 0 0 -1.2352 9.2210 13.0519 N 0 0 0 0 0 0 0 0 0 -2.3838 5.8534 13.8588 C 0 0 0 0 0 0 0 0 0 -1.5112 5.1180 13.0594 C 0 0 0 0 0 0 0 0 0 -0.5446 5.7382 12.2786 C 0 0 0 0 0 0 0 0 0 -2.2602 7.2408 13.8447 C 0 0 0 0 0 0 0 0 0 -0.4328 7.1236 12.2730 C 0 0 0 0 0 0 0 0 0 -1.3077 7.8707 13.0555 C 0 0 0 0 0 0 0 0 0 0.5235 7.7878 11.5108 C 0 0 0 0 0 0 0 0 0 0.5985 9.1767 11.5408 C 0 0 0 0 0 0 0 0 0 1.5561 9.8827 10.8218 C 0 0 0 0 0 0 0 0 0 -0.3141 9.8842 12.3170 C 0 0 0 0 0 0 0 0 0 -0.2874 11.2717 12.3446 C 0 0 0 0 0 0 0 0 0 1.5811 11.2702 10.8609 C 0 0 0 0 0 0 0 0 0 0.6576 11.9891 11.6155 C 0 0 0 0 0 0 0 0 0 1.3904 1.1166 9.5514 C 0 0 1 0 0 0 0 0 0 2.3881 1.7775 10.5119 C 0 0 0 0 0 0 0 0 0 3.0661 0.8027 11.4386 C 0 0 0 0 0 0 0 0 0 -0.9521 1.3082 8.8774 C 0 0 0 0 0 0 0 0 0 -0.6830 -0.0649 9.4902 C 0 0 0 0 0 0 0 0 0 1.2930 -0.9948 10.8998 C 0 0 2 0 0 0 0 0 0 3.5332 -1.7643 11.7923 C 0 0 1 0 0 0 0 0 0 4.8341 -1.4100 12.4863 C 0 0 0 0 0 0 0 0 0 5.2928 -2.0655 13.5601 C 0 0 0 0 0 0 0 0 0 4.5070 -3.1951 14.1393 C 0 0 0 0 0 0 0 0 0 2.7471 -2.8977 12.4404 C 0 0 0 0 0 0 0 0 0 0.5106 -2.0568 11.6743 C 0 0 0 0 0 0 0 0 0 3.2025 -3.5640 13.5119 C 0 0 0 0 0 0 0 0 0 1.4071 -3.2854 11.8605 C 0 0 0 0 0 0 0 0 0 4.0524 -2.2376 10.4223 C 0 0 0 0 0 0 0 0 0 2.1841 0.3699 8.4517 C 0 0 0 0 0 0 0 0 0 0.8215 2.5932 7.5844 C 0 0 0 0 0 0 0 0 0 0.4998 2.0040 6.5785 O 0 0 0 0 0 0 0 0 0 1.6805 3.8151 7.4866 C 0 0 0 0 0 0 0 0 0 0.1728 3.1586 9.8516 O 0 0 0 0 0 0 0 0 0 1.6756 6.0534 7.9800 C 0 0 0 0 0 0 0 0 0 2.7764 6.1116 7.4852 O 0 0 0 0 0 0 0 0 0 1.1516 7.2000 8.7814 C 0 0 0 0 0 0 0 0 0 0.6832 13.3638 11.6367 N 0 0 0 0 0 0 0 0 0 1.3566 14.1146 10.6034 C 0 0 0 0 0 0 0 0 0 0.0402 14.1186 12.6863 C 0 0 0 0 0 0 0 0 0 -3.3331 5.2242 14.6330 N 0 0 0 0 0 0 0 0 0 -3.2866 3.7990 14.8616 C 0 0 0 0 0 0 0 0 0 -4.4166 5.9519 15.2528 C 0 0 0 0 0 0 0 0 0 -1.5735 4.0714 13.0348 H 0 0 0 0 0 0 0 0 0 0.0972 5.1453 11.6953 H 0 0 0 0 0 0 0 0 0 -2.8882 7.8374 14.4351 H 0 0 0 0 0 0 0 0 0 2.2718 9.3784 10.2428 H 0 0 0 0 0 0 0 0 0 -0.9998 11.7736 12.9277 H 0 0 0 0 0 0 0 0 0 2.3167 11.7735 10.3078 H 0 0 0 0 0 0 0 0 0 3.1388 2.3204 9.9567 H 0 0 0 0 0 0 0 0 0 1.8707 2.4804 11.1481 H 0 0 0 0 0 0 0 0 0 -1.6872 1.8213 9.4814 H 0 0 0 0 0 0 0 0 0 -1.3364 1.2025 7.8730 H 0 0 0 0 0 0 0 0 0 -0.4006 -0.7659 8.7180 H 0 0 0 0 0 0 0 0 0 -1.5421 -0.4426 10.0262 H 0 0 0 0 0 0 0 0 0 5.4131 -0.6179 12.1091 H 0 0 0 0 0 0 0 0 0 6.2055 -1.7901 13.9997 H 0 0 0 0 0 0 0 0 0 0.2116 -1.6665 12.6368 H 0 0 0 0 0 0 0 0 0 -0.3726 -2.3476 11.1241 H 0 0 0 0 0 0 0 0 0 2.6478 -4.3532 13.9259 H 0 0 0 0 0 0 0 0 0 1.5723 -3.7534 10.9002 H 0 0 0 0 0 0 0 0 0 0.8956 -3.9956 12.4944 H 0 0 0 0 0 0 0 0 0 4.7697 -3.0364 10.5534 H 0 0 0 0 0 0 0 0 0 3.2691 -2.6233 9.7897 H 0 0 0 0 0 0 0 0 0 4.5432 -1.4238 9.9072 H 0 0 0 0 0 0 0 0 0 1.5170 -0.1603 7.7874 H 0 0 0 0 0 0 0 0 0 2.7630 1.0664 7.8628 H 0 0 0 0 0 0 0 0 0 2.8898 -0.3285 8.8680 H 0 0 0 0 0 0 0 0 0 2.0776 3.8911 6.4844 H 0 0 0 0 0 0 0 0 0 2.4986 3.7048 8.1841 H 0 0 0 0 0 0 0 0 0 -0.4393 3.7918 9.4840 H 0 0 0 0 0 0 0 0 0 0.0757 7.2257 8.7049 H 0 0 0 0 0 0 0 0 0 1.5697 8.1289 8.4279 H 0 0 0 0 0 0 0 0 0 1.0878 15.1611 10.6371 H 0 0 0 0 0 0 0 0 0 2.4264 14.0348 10.7337 H 0 0 0 0 0 0 0 0 0 1.0849 13.7340 9.6290 H 0 0 0 0 0 0 0 0 0 0.0467 13.5792 13.6225 H 0 0 0 0 0 0 0 0 0 0.5531 15.0556 12.8517 H 0 0 0 0 0 0 0 0 0 -0.9810 14.3284 12.4014 H 0 0 0 0 0 0 0 0 0 -3.9515 3.5011 15.6600 H 0 0 0 0 0 0 0 0 0 -3.5841 3.2821 13.9602 H 0 0 0 0 0 0 0 0 0 -2.2863 3.4952 15.1353 H 0 0 0 0 0 0 0 0 0 -4.7576 6.7634 14.6265 H 0 0 0 0 0 0 0 0 0 -5.2658 5.3069 15.4291 H 0 0 0 0 0 0 0 0 0 -4.0823 6.3476 16.2015 H 0 0 0 0 0 0 0 0 0 1 34 2 0 0 0 0 2 27 2 0 0 0 0 3 27 1 0 0 0 0 3 31 1 1 0 0 0 3 30 1 0 0 0 0 3 4 1 6 0 0 0 5 30 1 0 0 0 0 6 25 1 0 0 0 0 6 30 1 1 0 0 0 6 29 1 0 0 0 0 6 7 1 6 0 0 0 8 44 1 6 0 0 0 8 41 1 0 0 0 0 8 25 1 1 0 0 0 8 28 1 0 0 0 0 9 43 1 0 0 0 0 9 45 1 0 0 0 0 10 18 1 0 0 0 0 10 47 1 0 0 0 0 11 21 1 0 0 0 0 11 17 2 0 0 0 0 12 51 1 0 0 0 0 12 15 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 54 1 0 0 0 0 14 16 1 0 0 0 0 14 55 1 0 0 0 0 15 17 1 0 0 0 0 15 56 1 0 0 0 0 16 18 2 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 19 20 1 0 0 0 0 20 23 2 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 6 0 0 0 25 40 1 1 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 36 1 1 0 0 0 31 35 1 0 0 0 0 31 32 1 6 0 0 0 31 39 1 1 0 0 0 32 33 2 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 44 81 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 82 1 0 0 0 0 47 83 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 49 84 1 0 0 0 0 49 85 1 0 0 0 0 49 86 1 0 0 0 0 50 87 1 0 0 0 0 50 88 1 0 0 0 0 50 89 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 52 90 1 0 0 0 0 52 91 1 0 0 0 0 52 92 1 0 0 0 0 53 93 1 0 0 0 0 53 94 1 0 0 0 0 53 95 1 0 0 0 0 M END > 337851 > K $$$$ 338259 1016 111283D 338259 32 36 0 2 V2000 0.0397 1.2938 0.3329 O 0 0 0 0 0 0 0 0 0 2.1688 0.5410 -0.3375 O 0 0 0 0 0 0 0 0 0 -1.4911 -4.5431 0.4697 N 0 3 0 0 0 0 0 0 0 2.0496 -6.1602 -0.6578 C 0 0 0 0 0 0 0 0 0 1.9816 -4.7695 -0.5587 C 0 0 0 0 0 0 0 0 0 0.9414 -6.9559 -0.3837 C 0 0 0 0 0 0 0 0 0 0.7965 -4.1389 -0.1794 C 0 0 0 0 0 0 0 0 0 -0.2396 -6.3356 -0.0049 C 0 0 0 0 0 0 0 0 0 0.5750 -2.7677 -0.0400 C 0 0 0 0 0 0 0 0 0 1.5891 -1.8426 -0.2896 C 0 0 0 0 0 0 0 0 0 1.3240 -0.4906 -0.1407 C 0 0 0 0 0 0 0 0 0 -0.2828 -4.9653 0.0891 C 0 0 0 0 0 0 0 0 0 -1.5742 -6.9185 0.3466 C 0 0 0 0 0 0 0 0 0 0.0829 -0.0507 0.2500 C 0 0 0 0 0 0 0 0 0 -0.6922 -2.3097 0.3587 C 0 0 0 0 0 0 0 0 0 -2.3997 -5.6520 0.6754 C 0 0 0 0 0 0 0 0 0 -0.9412 -0.9471 0.5064 C 0 0 0 0 0 0 0 0 0 -1.7243 -3.2125 0.6136 C 0 0 0 0 0 0 0 0 0 1.3493 1.6748 -0.0750 C 0 0 0 0 0 0 0 0 0 3.1891 -6.7977 -1.0230 O 0 0 0 0 0 0 0 0 0 2.8421 -4.2093 -0.7757 H 0 0 0 0 0 0 0 0 0 1.0071 -8.0018 -0.4643 H 0 0 0 0 0 0 0 0 0 2.5518 -2.1343 -0.5883 H 0 0 0 0 0 0 0 0 0 -1.9889 -7.4512 -0.4979 H 0 0 0 0 0 0 0 0 0 -1.4929 -7.5720 1.2039 H 0 0 0 0 0 0 0 0 0 -2.7428 -5.6922 1.7020 H 0 0 0 0 0 0 0 0 0 -3.2560 -5.5867 0.0155 H 0 0 0 0 0 0 0 0 0 -1.8812 -0.5848 0.8056 H 0 0 0 0 0 0 0 0 0 -2.6716 -2.8612 0.9138 H 0 0 0 0 0 0 0 0 0 1.2794 2.2746 -0.9732 H 0 0 0 0 0 0 0 0 0 1.8072 2.2797 0.6966 H 0 0 0 0 0 0 0 0 0 3.9028 -6.1891 -1.1903 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 12 2 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 6 8 2 0 0 0 0 6 22 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 M CHG 1 3 1 M END > 338259 > K $$$$ 338720 1016 111283D 338720 22 22 0 1 V2000 -5.2150 3.1339 2.3919 Cl 0 0 0 0 0 0 0 0 0 -4.0777 3.1766 -0.2855 Cl 0 0 0 0 0 0 0 0 0 -3.8257 3.7288 1.4116 C 0 0 0 0 0 0 0 0 0 -3.0978 4.4732 4.3235 Cl 0 0 0 0 0 0 0 0 0 -3.8167 5.5302 1.4009 Cl 0 0 0 0 0 0 0 0 0 -2.5276 3.2027 1.9639 C 0 0 0 0 0 0 0 0 0 -2.1245 3.4895 3.2631 C 0 0 0 0 0 0 0 0 0 -1.7314 2.4331 1.1821 N 0 0 0 0 0 0 0 0 0 -0.9177 2.9813 3.7276 C 0 0 0 0 0 0 0 0 0 -0.5150 3.2576 4.9982 O 0 0 0 0 0 0 0 0 0 -0.5504 1.9239 1.6101 C 0 0 0 0 0 0 0 0 0 -0.1247 2.1934 2.9033 C 0 0 0 0 0 0 0 0 0 0.2295 1.1545 0.8013 O 0 0 0 0 0 0 0 0 0 1.3869 1.5513 3.4854 Cl 0 0 0 0 0 0 0 0 0 0.2895 4.4190 5.0738 C 0 0 0 0 0 0 0 0 0 -0.2972 0.9159 -0.4893 C 0 0 0 0 0 0 0 0 0 0.5802 4.5705 6.1034 H 0 0 0 0 0 0 0 0 0 1.1862 4.3134 4.4789 H 0 0 0 0 0 0 0 0 0 -0.2611 5.2890 4.7435 H 0 0 0 0 0 0 0 0 0 -0.4274 1.8445 -1.0272 H 0 0 0 0 0 0 0 0 0 0.3950 0.2933 -1.0372 H 0 0 0 0 0 0 0 0 0 -1.2455 0.4003 -0.4234 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 M END > 338720 > K $$$$ 339004 1016 111283D 339004 33 35 0 1 V2000 0.5512 2.2155 0.0496 C 0 0 0 0 0 0 0 0 0 1.7148 2.4443 0.7746 C 0 0 0 0 0 0 0 0 0 0.4260 1.0538 -0.7029 C 0 0 0 0 0 0 0 0 0 2.7492 1.5181 0.7462 C 0 0 0 0 0 0 0 0 0 1.4587 0.1259 -0.7321 C 0 0 0 0 0 0 0 0 0 2.6207 0.3599 -0.0089 C 0 0 0 0 0 0 0 0 0 3.9480 -0.8289 -0.0533 S 0 0 0 0 0 0 0 0 0 5.0671 -0.3517 0.6967 O 0 0 0 0 0 0 0 0 0 3.4999 -2.0722 0.4904 O 0 0 0 0 0 0 0 0 0 4.6218 -0.0648 -2.4561 C 0 0 0 0 0 0 0 0 0 5.0171 -0.2868 -3.7697 C 0 0 0 0 0 0 0 0 0 5.2057 0.7656 -4.6015 N 0 0 0 0 0 0 0 0 0 4.4275 1.2080 -2.0380 N 0 0 0 0 0 0 0 0 0 4.6210 2.2636 -2.8620 C 0 0 0 0 0 0 0 0 0 5.0217 2.0390 -4.1767 C 0 0 0 0 0 0 0 0 0 4.4229 3.5595 -2.4041 C 0 0 0 0 0 0 0 0 0 5.2265 3.1151 -5.0313 C 0 0 0 0 0 0 0 0 0 5.7294 2.8533 -6.6779 Cl 0 0 0 0 0 0 0 0 0 4.6280 4.6343 -3.2604 C 0 0 0 0 0 0 0 0 0 5.0295 4.4112 -4.5717 C 0 0 0 0 0 0 0 0 0 -0.4594 3.1228 0.0763 N 0 0 0 0 0 0 0 0 0 4.4292 -1.0974 -1.5965 N 0 0 0 0 0 0 0 0 0 1.8132 3.3198 1.3458 H 0 0 0 0 0 0 0 0 0 -0.4517 0.8763 -1.2514 H 0 0 0 0 0 0 0 0 0 3.6286 1.6912 1.2941 H 0 0 0 0 0 0 0 0 0 1.3625 -0.7523 -1.3003 H 0 0 0 0 0 0 0 0 0 5.1691 -1.2653 -4.1170 H 0 0 0 0 0 0 0 0 0 4.1189 3.7245 -1.4123 H 0 0 0 0 0 0 0 0 0 4.4797 5.6161 -2.9167 H 0 0 0 0 0 0 0 0 0 5.1851 5.2235 -5.2192 H 0 0 0 0 0 0 0 0 0 -1.2734 2.9680 -0.4294 H 0 0 0 0 0 0 0 0 0 -0.3781 3.9351 0.6013 H 0 0 0 0 0 0 0 0 0 4.5743 -2.0126 -1.8765 H 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 2 0 0 0 0 2 23 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 10 22 1 0 0 0 0 10 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END > 339004 > K $$$$ 343513 1016 111283D 343513 52 54 1 1 V2000 -2.3716 1.7583 8.0494 F 0 0 0 0 0 0 0 0 0 -3.4167 1.9438 7.2490 C 0 0 0 0 0 0 0 0 0 -4.5257 2.6438 7.7044 C 0 0 0 0 0 0 0 0 0 -3.4005 1.4377 5.9565 C 0 0 0 0 0 0 0 0 0 -5.6158 2.8399 6.8663 C 0 0 0 0 0 0 0 0 0 -4.4913 1.6338 5.1197 C 0 0 0 0 0 0 0 0 0 -5.6033 2.3389 5.5688 C 0 0 0 0 0 0 0 0 0 -6.4105 3.2802 3.3614 C 0 0 0 0 0 0 0 0 0 -7.6570 3.5418 2.5118 C 0 0 0 0 0 0 0 0 0 -5.7013 4.6116 3.6283 C 0 0 0 0 0 0 0 0 0 -7.2740 4.2540 1.2142 C 0 0 0 0 0 0 0 0 0 -5.3356 5.2800 2.3061 C 0 0 0 0 0 0 0 0 0 -6.5302 5.4850 1.4871 N 0 0 0 0 0 0 0 0 0 -8.5824 8.7970 -0.2755 O 0 0 0 0 0 0 0 0 0 -8.4290 8.2021 0.7648 C 0 0 0 0 0 0 0 0 0 -9.5650 7.3586 1.2862 C 0 0 0 0 0 0 0 0 0 -9.5133 6.6806 2.5011 C 0 0 0 0 0 0 0 0 0 -10.7125 7.2620 0.5066 C 0 0 0 0 0 0 0 0 0 -10.5939 5.9177 2.9258 C 0 0 0 0 0 0 0 0 0 -11.7925 6.4972 0.9273 C 0 0 0 0 0 0 0 0 0 -11.7335 5.8233 2.1391 C 0 0 0 0 0 0 0 0 0 -12.7647 5.0893 2.5460 F 0 0 0 0 0 0 0 0 0 -6.7895 2.5645 4.6637 C 0 0 1 0 0 0 0 0 0 -7.4197 1.3351 4.3752 O 0 0 0 0 0 0 0 0 0 -6.2769 6.2631 0.2748 C 0 0 0 0 0 0 0 0 0 -6.0016 7.7364 0.5891 C 0 0 0 0 0 0 0 0 0 -7.1023 8.3526 1.4539 C 0 0 0 0 0 0 0 0 0 -4.5385 3.0243 8.6831 H 0 0 0 0 0 0 0 0 0 -2.5618 0.9067 5.6132 H 0 0 0 0 0 0 0 0 0 -6.4507 3.3703 7.2203 H 0 0 0 0 0 0 0 0 0 -4.4688 1.2451 4.1441 H 0 0 0 0 0 0 0 0 0 -5.7464 2.6390 2.7993 H 0 0 0 0 0 0 0 0 0 -8.1468 2.6075 2.2763 H 0 0 0 0 0 0 0 0 0 -8.3452 4.1638 3.0649 H 0 0 0 0 0 0 0 0 0 -6.3519 5.2678 4.1890 H 0 0 0 0 0 0 0 0 0 -4.7949 4.4480 4.1930 H 0 0 0 0 0 0 0 0 0 -6.6752 3.5899 0.6056 H 0 0 0 0 0 0 0 0 0 -8.1852 4.4826 0.6784 H 0 0 0 0 0 0 0 0 0 -4.8624 6.2221 2.5399 H 0 0 0 0 0 0 0 0 0 -4.6261 4.6613 1.7733 H 0 0 0 0 0 0 0 0 0 -8.6635 6.7335 3.1133 H 0 0 0 0 0 0 0 0 0 -10.7657 7.7718 -0.4112 H 0 0 0 0 0 0 0 0 0 -10.5513 5.4096 3.8441 H 0 0 0 0 0 0 0 0 0 -12.6537 6.4281 0.3301 H 0 0 0 0 0 0 0 0 0 -7.5126 3.1800 5.1824 H 0 0 0 0 0 0 0 0 0 -6.8168 0.7554 3.9209 H 0 0 0 0 0 0 0 0 0 -5.4440 5.8474 -0.2750 H 0 0 0 0 0 0 0 0 0 -7.1447 6.2274 -0.3700 H 0 0 0 0 0 0 0 0 0 -5.0568 7.8347 1.1026 H 0 0 0 0 0 0 0 0 0 -5.9352 8.2822 -0.3414 H 0 0 0 0 0 0 0 0 0 -6.9003 9.4057 1.5839 H 0 0 0 0 0 0 0 0 0 -7.0958 7.8869 2.4261 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 3 28 1 0 0 0 0 4 6 1 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 23 1 0 0 0 0 8 23 1 0 0 0 0 8 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 1 0 0 0 23 45 1 6 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END > 343513 > K $$$$ 345081 1016 111283D 345081 40 42 0 1 V2000 0.8742 -5.8280 -4.5502 O 0 0 0 0 0 0 0 0 0 1.5211 -7.0406 -4.4941 C 0 0 0 0 0 0 0 0 0 2.3652 -7.2169 -5.5721 C 0 0 0 0 0 0 0 0 0 -1.1718 -4.0682 -7.1681 O 0 0 0 0 0 0 0 0 0 1.3407 -5.2294 -5.7171 C 0 0 0 0 0 0 0 0 0 2.2458 -6.0761 -6.3356 C 0 0 0 0 0 0 0 0 0 -0.9380 -2.6591 -6.7932 P 0 0 0 0 0 0 0 0 0 0.1343 -3.0952 -5.7136 O 0 0 0 0 0 0 0 0 0 1.0260 -3.9834 -6.2809 C 0 0 0 0 0 0 0 0 0 2.8837 -5.7590 -7.5228 C 0 0 0 0 0 0 0 0 0 1.6825 -3.6512 -7.4791 C 0 0 0 0 0 0 0 0 0 2.5957 -4.5221 -8.0831 C 0 0 0 0 0 0 0 0 0 1.3765 -2.4244 -8.0283 O 0 0 0 0 0 0 0 0 0 3.2837 -4.1321 -9.3592 C 0 0 0 0 0 0 0 0 0 -2.0577 -3.0219 -7.9681 N 0 0 0 0 0 0 0 0 0 2.0287 -2.0459 -9.1672 C 0 0 0 0 0 0 0 0 0 2.9961 -2.9373 -9.8844 C 0 0 0 0 0 0 0 0 0 1.8051 -0.9469 -9.6060 O 0 0 0 0 0 0 0 0 0 -5.7312 -4.6224 -7.1868 Cl 0 0 0 0 0 0 0 0 0 -1.4610 -2.1044 -11.8467 Cl 0 0 0 0 0 0 0 0 0 -1.3085 -1.1228 -6.9990 N 0 0 0 0 0 0 0 0 0 -3.4753 -3.1479 -7.6164 C 0 0 0 0 0 0 0 0 0 -1.7241 -3.2197 -9.3708 C 0 0 0 0 0 0 0 0 0 -3.9449 -4.5995 -7.4395 C 0 0 0 0 0 0 0 0 0 -1.7553 -1.8714 -10.0855 C 0 0 0 0 0 0 0 0 0 1.3865 -7.7432 -3.7238 H 0 0 0 0 0 0 0 0 0 2.9714 -8.0530 -5.7635 H 0 0 0 0 0 0 0 0 0 3.5565 -6.4279 -7.9792 H 0 0 0 0 0 0 0 0 0 3.9712 -4.7754 -9.8287 H 0 0 0 0 0 0 0 0 0 3.4311 -2.6160 -10.7832 H 0 0 0 0 0 0 0 0 0 -1.9864 -0.8734 -7.6178 H 0 0 0 0 0 0 0 0 0 -0.7867 -0.5345 -6.4557 H 0 0 0 0 0 0 0 0 0 -3.6960 -2.6415 -6.6835 H 0 0 0 0 0 0 0 0 0 -4.0811 -2.6967 -8.3906 H 0 0 0 0 0 0 0 0 0 -0.7490 -3.6653 -9.4961 H 0 0 0 0 0 0 0 0 0 -2.4194 -3.8829 -9.8678 H 0 0 0 0 0 0 0 0 0 -3.4581 -5.0452 -6.5818 H 0 0 0 0 0 0 0 0 0 -3.7189 -5.1954 -8.3116 H 0 0 0 0 0 0 0 0 0 -0.9903 -1.2256 -9.6779 H 0 0 0 0 0 0 0 0 0 -2.7234 -1.4111 -9.9453 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 6 1 0 0 0 0 3 27 1 0 0 0 0 4 7 2 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END > 345081 > K $$$$ 345647 1016 111283D 345647 66 71 1 1 V2000 0.2628 1.2564 -0.6631 C 0 0 0 0 0 0 0 0 0 1.5010 1.8783 -0.6121 C 0 0 0 0 0 0 0 0 0 4.4439 2.1498 0.9393 C 0 0 0 0 0 0 0 0 0 5.6482 2.8306 1.0322 C 0 0 0 0 0 0 0 0 0 0.1411 -0.1157 -0.4962 C 0 0 0 0 0 0 0 0 0 2.6314 1.1074 -0.3896 C 0 0 0 0 0 0 0 0 0 3.9587 1.8154 -0.3154 C 0 0 0 0 0 0 0 0 0 6.3747 3.1658 -0.1017 C 0 0 0 0 0 0 0 0 0 2.5223 -0.2727 -0.2443 C 0 0 0 0 0 0 0 0 0 4.6887 2.1304 -1.4584 C 0 0 0 0 0 0 0 0 0 5.9031 2.8209 -1.3749 C 0 0 0 0 0 0 0 0 0 1.2756 -0.9073 -0.2779 C 0 0 0 0 0 0 0 0 0 3.6814 -1.0169 -0.0653 C 0 0 0 0 0 0 0 0 0 1.2180 -2.2931 -0.0941 C 0 0 0 0 0 0 0 0 0 4.1875 1.7429 -2.6947 C 0 0 0 0 0 0 0 0 0 6.5858 3.1330 -2.5561 C 0 0 0 0 0 0 0 0 0 4.8739 2.0410 -3.8556 C 0 0 0 0 0 0 0 0 0 6.0709 2.7403 -3.7942 C 0 0 0 0 0 0 0 0 0 2.3897 -3.0303 0.0932 C 0 0 0 0 0 0 0 0 0 3.6193 -2.3871 0.0950 C 0 0 0 0 0 0 0 0 0 4.7945 -3.0571 0.2458 O 0 0 0 0 0 0 0 0 0 2.4448 -4.5224 0.3003 C 0 0 0 0 0 0 0 0 0 6.7211 3.0146 -5.1272 C 0 0 0 0 0 0 0 0 0 1.4594 -5.2146 0.2082 O 0 0 0 0 0 0 0 0 0 7.8288 3.4891 -5.2074 O 0 0 0 0 0 0 0 0 0 4.3361 1.6223 -5.0338 O 0 0 0 0 0 0 0 0 0 4.5101 2.5209 -6.1099 C 0 0 1 0 0 0 0 0 0 4.7431 -4.1506 1.1381 C 0 0 1 0 0 0 0 0 0 6.0011 2.6988 -6.4111 C 0 0 1 0 0 0 0 0 0 3.7484 -5.1984 0.6289 C 0 0 1 0 0 0 0 0 0 1.6438 3.2209 -0.7739 O 0 0 0 0 0 0 0 0 0 3.7237 1.7992 2.0387 O 0 0 0 0 0 0 0 0 0 -1.1544 -0.5241 -0.5768 O 0 0 0 0 0 0 0 0 0 7.5221 3.8267 0.2135 O 0 0 0 0 0 0 0 0 0 -0.0012 -2.8965 -0.1034 O 0 0 0 0 0 0 0 0 0 7.7546 3.8238 -2.4628 O 0 0 0 0 0 0 0 0 0 3.5315 -6.3176 1.6512 C 0 0 0 0 0 0 0 0 0 6.2434 3.8052 -7.4424 C 0 0 0 0 0 0 0 0 0 3.7171 1.9373 -7.2766 C 0 0 0 0 0 0 0 0 0 6.1760 -4.6687 1.2441 C 0 0 0 0 0 0 0 0 0 -0.6019 1.8275 -0.8301 H 0 0 0 0 0 0 0 0 0 6.0232 3.1007 1.9745 H 0 0 0 0 0 0 0 0 0 4.6266 -0.5618 -0.0470 H 0 0 0 0 0 0 0 0 0 3.2823 1.2188 -2.7786 H 0 0 0 0 0 0 0 0 0 4.0742 3.4783 -5.8521 H 0 0 0 0 0 0 0 0 0 4.4387 -3.8001 2.1166 H 0 0 0 0 0 0 0 0 0 6.3964 1.7666 -6.7872 H 0 0 0 0 0 0 0 0 0 4.1284 -5.6216 -0.2890 H 0 0 0 0 0 0 0 0 0 0.7975 3.6396 -0.8911 H 0 0 0 0 0 0 0 0 0 4.1468 2.1053 2.8343 H 0 0 0 0 0 0 0 0 0 -1.2822 -1.4273 -0.3332 H 0 0 0 0 0 0 0 0 0 8.0137 4.1198 -0.5374 H 0 0 0 0 0 0 0 0 0 0.0161 -3.7977 0.1905 H 0 0 0 0 0 0 0 0 0 8.0933 4.1218 -3.2972 H 0 0 0 0 0 0 0 0 0 2.7819 -7.0056 1.2880 H 0 0 0 0 0 0 0 0 0 4.4500 -6.8635 1.8073 H 0 0 0 0 0 0 0 0 0 3.2008 -5.9034 2.5932 H 0 0 0 0 0 0 0 0 0 7.3049 3.9398 -7.5922 H 0 0 0 0 0 0 0 0 0 5.7955 3.5437 -8.3898 H 0 0 0 0 0 0 0 0 0 5.8178 4.7359 -7.0949 H 0 0 0 0 0 0 0 0 0 2.6850 1.8256 -6.9775 H 0 0 0 0 0 0 0 0 0 3.7625 2.5907 -8.1347 H 0 0 0 0 0 0 0 0 0 4.1122 0.9666 -7.5375 H 0 0 0 0 0 0 0 0 0 6.8158 -3.8686 1.5872 H 0 0 0 0 0 0 0 0 0 6.2368 -5.4869 1.9457 H 0 0 0 0 0 0 0 0 0 6.5190 -4.9967 0.2739 H 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 2 31 1 0 0 0 0 2 6 2 0 0 0 0 3 32 1 0 0 0 0 3 7 2 0 0 0 0 3 4 1 0 0 0 0 4 8 2 0 0 0 0 4 42 1 0 0 0 0 5 33 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 34 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 20 2 0 0 0 0 13 43 1 0 0 0 0 14 35 1 0 0 0 0 14 19 2 0 0 0 0 15 17 2 0 0 0 0 15 44 1 0 0 0 0 16 36 1 0 0 0 0 16 18 2 0 0 0 0 17 26 1 0 0 0 0 17 18 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 28 1 0 0 0 0 22 24 2 0 0 0 0 22 30 1 0 0 0 0 23 25 2 0 0 0 0 23 29 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 39 1 6 0 0 0 27 45 1 1 0 0 0 28 30 1 6 0 0 0 28 40 1 0 0 0 0 28 46 1 1 0 0 0 29 38 1 6 0 0 0 29 47 1 0 0 0 0 30 37 1 1 0 0 0 30 48 1 6 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 36 54 1 0 0 0 0 37 55 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 M END > 345647 > K $$$$ 352876 1016 111283D 352876 51 53 1 1 V2000 4.0510 -4.7681 5.0259 C 0 0 0 0 0 0 0 0 0 5.0348 -5.3690 4.1936 O 0 0 0 0 0 0 0 0 0 2.9969 -4.1815 4.2716 O 0 0 0 0 0 0 0 0 0 4.6105 -5.0331 2.9575 C 0 0 0 0 0 0 0 0 0 3.4233 -4.3431 3.0014 C 0 0 0 0 0 0 0 0 0 0.6669 -8.1029 -1.5990 O 0 0 0 0 0 0 0 0 0 5.2271 -5.3067 1.7485 C 0 0 0 0 0 0 0 0 0 2.8115 -3.9060 1.8375 C 0 0 0 0 0 0 0 0 0 4.6264 -4.8726 0.5676 C 0 0 0 0 0 0 0 0 0 3.4193 -4.1724 0.6109 C 0 0 0 0 0 0 0 0 0 1.7156 -5.9534 -1.1454 C 0 0 0 0 0 0 0 0 0 1.4434 -7.0396 -1.9725 C 0 0 0 0 0 0 0 0 0 5.1750 -5.1009 -0.6629 O 0 0 0 0 0 0 0 0 0 2.5003 -4.8972 -1.5930 C 0 0 0 0 0 0 0 0 0 1.9812 -7.0627 -3.2568 C 0 0 0 0 0 0 0 0 0 1.7505 -8.1371 -4.0647 O 0 0 0 0 0 0 0 0 0 3.0087 -4.9276 -2.8856 C 0 0 0 0 0 0 0 0 0 2.7530 -6.0046 -3.7292 C 0 0 0 0 0 0 0 0 0 3.2193 -6.0898 -5.0131 O 0 0 0 0 0 0 0 0 0 0.1797 -8.1784 -0.2739 C 0 0 0 0 0 0 0 0 0 2.8049 -3.7212 -0.6965 C 0 0 1 0 0 0 0 0 0 0.5782 -7.9769 -4.8358 C 0 0 0 0 0 0 0 0 0 6.0537 -6.2076 -0.7786 C 0 0 0 0 0 0 0 0 0 1.5439 -2.8584 -0.5831 C 0 0 0 0 0 0 0 0 0 4.0090 -5.0410 -5.5379 C 0 0 0 0 0 0 0 0 0 6.2288 -6.5846 -2.2435 C 0 0 0 0 0 0 0 0 0 7.1096 -7.6850 -2.3183 O 0 0 0 0 0 0 0 0 0 3.6454 -5.5101 5.6998 H 0 0 0 0 0 0 0 0 0 4.5262 -3.9970 5.6171 H 0 0 0 0 0 0 0 0 0 6.1336 -5.8330 1.7418 H 0 0 0 0 0 0 0 0 0 1.9045 -3.3836 1.9038 H 0 0 0 0 0 0 0 0 0 1.3280 -5.9236 -0.1714 H 0 0 0 0 0 0 0 0 0 3.5928 -4.1242 -3.2217 H 0 0 0 0 0 0 0 0 0 -0.3649 -9.1049 -0.1641 H 0 0 0 0 0 0 0 0 0 0.9953 -8.1754 0.4355 H 0 0 0 0 0 0 0 0 0 -0.4938 -7.3586 -0.0695 H 0 0 0 0 0 0 0 0 0 3.5521 -3.1043 -1.1764 H 0 0 0 0 0 0 0 0 0 0.4476 -8.8574 -5.4476 H 0 0 0 0 0 0 0 0 0 -0.2877 -7.8697 -4.1973 H 0 0 0 0 0 0 0 0 0 0.6633 -7.1162 -5.4846 H 0 0 0 0 0 0 0 0 0 7.0236 -5.9641 -0.3689 H 0 0 0 0 0 0 0 0 0 5.6581 -7.0775 -0.2720 H 0 0 0 0 0 0 0 0 0 1.2202 -2.5529 -1.5678 H 0 0 0 0 0 0 0 0 0 0.7459 -3.4152 -0.1126 H 0 0 0 0 0 0 0 0 0 1.7537 -1.9737 0.0003 H 0 0 0 0 0 0 0 0 0 3.4668 -4.1062 -5.5214 H 0 0 0 0 0 0 0 0 0 4.9303 -4.9457 -4.9811 H 0 0 0 0 0 0 0 0 0 4.2509 -5.2768 -6.5639 H 0 0 0 0 0 0 0 0 0 5.2632 -6.8423 -2.6556 H 0 0 0 0 0 0 0 0 0 6.6355 -5.7391 -2.7792 H 0 0 0 0 0 0 0 0 0 7.1357 -7.9978 -3.2178 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 9 2 0 0 0 0 7 30 1 0 0 0 0 8 10 2 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 10 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 32 1 0 0 0 0 12 15 2 0 0 0 0 13 23 1 0 0 0 0 14 21 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 19 25 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 24 1 1 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END > 352876 > K $$$$ 352890 1016 111283D 352890 33 35 1 1 V2000 1.7455 0.4329 -3.2525 N 0 0 0 0 0 0 0 0 0 1.9140 0.9199 -1.9954 C 0 0 0 0 0 0 0 0 0 3.0391 0.6359 -1.2930 N 0 0 0 0 0 0 0 0 0 8.0295 -0.0202 0.2099 C 0 0 1 0 0 0 0 0 0 7.4965 1.2530 -0.4412 C 0 0 1 0 0 0 0 0 0 2.6731 -0.3499 -3.8549 C 0 0 0 0 0 0 0 0 0 3.9759 -0.1470 -1.8693 C 0 0 0 0 0 0 0 0 0 6.9913 -0.9777 0.1079 O 0 0 0 0 0 0 0 0 0 3.8255 -0.6543 -3.1440 C 0 0 0 0 0 0 0 0 0 5.7663 -0.2762 -0.0230 C 0 0 1 0 0 0 0 0 0 6.0855 1.2112 0.1307 C 0 0 1 0 0 0 0 0 0 5.1906 -0.5865 -1.3742 C 0 0 0 0 0 0 0 0 0 4.9406 -1.4117 -3.4551 N 0 0 0 0 0 0 0 0 0 5.1024 -1.8852 -4.2872 H 0 0 0 0 0 0 0 0 0 5.7811 -1.3675 -2.3558 C 0 0 0 0 0 0 0 0 0 10.2952 0.4461 -0.4884 O 0 0 0 0 0 0 0 0 0 8.1727 2.4423 -0.0865 O 0 0 0 0 0 0 0 0 0 2.4416 -0.7996 -5.1132 N 0 0 0 0 0 0 0 0 0 9.2923 -0.5477 -0.4649 C 0 0 0 0 0 0 0 0 0 6.0712 1.5493 1.5033 O 0 0 0 0 0 0 0 0 0 1.1668 1.5208 -1.5651 H 0 0 0 0 0 0 0 0 0 8.2404 0.1838 1.2512 H 0 0 0 0 0 0 0 0 0 7.4606 1.1352 -1.5157 H 0 0 0 0 0 0 0 0 0 5.0637 -0.5753 0.7420 H 0 0 0 0 0 0 0 0 0 5.4064 1.8493 -0.4176 H 0 0 0 0 0 0 0 0 0 6.7139 -1.8455 -2.2727 H 0 0 0 0 0 0 0 0 0 11.0861 0.0776 -0.8716 H 0 0 0 0 0 0 0 0 0 9.0891 2.3607 -0.3377 H 0 0 0 0 0 0 0 0 0 1.6176 -0.5571 -5.5636 H 0 0 0 0 0 0 0 0 0 3.0906 -1.3599 -5.5654 H 0 0 0 0 0 0 0 0 0 9.6315 -1.4150 0.0845 H 0 0 0 0 0 0 0 0 0 9.0468 -0.8485 -1.4737 H 0 0 0 0 0 0 0 0 0 6.4404 2.4232 1.6028 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 5 1 6 0 0 0 4 19 1 0 0 0 0 4 22 1 1 0 0 0 5 17 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 6 0 0 0 6 18 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 10 24 1 1 0 0 0 11 20 1 0 0 0 0 11 25 1 6 0 0 0 12 15 2 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 15 26 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END > 352890 > K $$$$ 356207 1016 111283D 356207 100102 1 1 V2000 25.7100 22.8384 -5.2889 C 0 0 1 0 0 0 0 0 0 24.7898 22.4470 -6.2954 O 0 0 0 0 0 0 0 0 0 24.5687 23.4739 -7.2424 C 0 0 1 0 0 0 0 0 0 25.8674 23.7428 -8.0125 C 0 0 0 0 0 0 0 0 0 26.9004 24.1961 -6.9892 C 0 0 1 0 0 0 0 0 0 26.4463 25.4306 -6.4542 O 0 0 0 0 0 0 0 0 0 27.3350 26.5133 -6.6875 C 0 0 0 0 0 0 0 0 0 28.0199 23.5747 -4.9842 O 0 0 0 0 0 0 0 0 0 25.7050 21.7947 -4.1669 C 0 0 0 0 0 0 0 0 0 27.0887 23.0834 -5.9327 C 0 0 1 0 0 0 0 0 0 27.6337 21.7693 -6.5423 C 0 0 1 0 0 0 0 0 0 28.9619 22.0166 -7.2649 C 0 0 0 0 0 0 0 0 0 27.7817 20.8370 -5.4817 O 0 0 0 0 0 0 0 0 0 29.0452 20.3718 -5.2836 C 0 0 0 0 0 0 0 0 0 29.6063 19.7716 -6.1709 O 0 0 0 0 0 0 0 0 0 29.7216 20.6274 -3.9822 C 0 0 1 0 0 0 0 0 0 30.6568 19.4705 -3.6387 C 0 0 0 0 0 0 0 0 0 30.4779 21.9652 -4.0245 C 0 0 0 0 0 0 0 0 0 31.9750 21.8417 -3.8039 C 0 0 0 0 0 0 0 0 0 21.9241 25.1014 -11.3849 O 0 0 0 0 0 0 0 0 0 23.2529 24.6242 -11.5225 C 0 0 1 0 0 0 0 0 0 23.5760 23.5261 -10.4966 C 0 0 1 0 0 0 0 0 0 23.2422 24.0610 -9.1103 C 0 0 1 0 0 0 0 0 0 21.8008 24.5280 -9.0123 C 0 0 1 0 0 0 0 0 0 21.6098 25.6107 -10.0984 C 0 0 1 0 0 0 0 0 0 23.5460 23.0832 -8.1312 O 0 0 0 0 0 0 0 0 0 22.4238 26.8879 -9.8371 C 0 0 0 0 0 0 0 0 0 22.1306 27.4146 -8.5589 O 0 0 0 0 0 0 0 0 0 21.6362 28.6760 -8.6280 C 0 0 0 0 0 0 0 0 0 20.6195 28.8801 -9.2462 O 0 0 0 0 0 0 0 0 0 22.3501 29.7976 -7.9445 C 0 0 0 0 0 0 0 0 0 20.9535 23.3988 -9.1460 O 0 0 0 0 0 0 0 0 0 23.5370 24.1741 -12.9541 C 0 0 1 0 0 0 0 0 0 22.9227 22.3134 -10.7887 O 0 0 0 0 0 0 0 0 0 23.3982 25.3568 -13.8834 C 0 0 0 0 0 0 0 0 0 23.9478 25.2370 -15.2750 C 0 0 0 0 0 0 0 0 0 24.8118 24.2476 -15.5650 C 0 0 0 0 0 0 0 0 0 25.3207 23.3647 -14.4521 C 0 0 0 0 0 0 0 0 0 24.9782 23.6698 -13.0323 C 0 0 0 0 0 0 0 0 0 25.2744 23.9917 -16.9029 N 0 0 0 0 0 0 0 0 0 26.0133 22.4048 -14.6871 O 0 0 0 0 0 0 0 0 0 22.8599 26.3785 -13.5264 O 0 0 0 0 0 0 0 0 0 23.4977 26.2487 -16.2886 C 0 0 0 0 0 0 0 0 0 23.8430 26.1717 -17.4747 O 0 0 0 0 0 0 0 0 0 22.6967 27.2751 -15.9190 O 0 0 0 0 0 0 0 0 0 18.6568 23.1775 -8.1840 C 0 0 0 0 0 0 0 0 0 18.1229 23.6045 -9.3324 C 0 0 0 0 0 0 0 0 0 17.7885 22.7653 -7.1967 N 0 0 0 0 0 0 0 0 0 17.8846 23.3027 -6.0730 C 0 0 0 0 0 0 0 0 0 18.0029 23.9759 -4.8683 S 0 0 0 0 0 0 0 0 0 16.6384 23.7733 -9.4590 C 0 0 0 0 0 0 0 0 0 18.7465 23.8336 -10.1455 H 0 0 0 0 0 0 0 0 0 20.1641 23.1904 -8.0483 C 0 0 0 0 0 0 0 0 0 20.6868 23.0279 -6.9699 O 0 0 0 0 0 0 0 0 0 22.6516 23.1304 -13.3132 O 0 0 0 0 0 0 0 0 0 25.3944 23.7673 -4.8326 H 0 0 0 0 0 0 0 0 0 24.2432 24.3748 -6.7348 H 0 0 0 0 0 0 0 0 0 26.2302 22.8672 -8.5227 H 0 0 0 0 0 0 0 0 0 25.7056 24.4858 -8.7720 H 0 0 0 0 0 0 0 0 0 27.8439 24.3643 -7.4820 H 0 0 0 0 0 0 0 0 0 27.2845 26.8266 -7.7202 H 0 0 0 0 0 0 0 0 0 27.0516 27.3573 -6.0780 H 0 0 0 0 0 0 0 0 0 28.3585 26.2461 -6.4517 H 0 0 0 0 0 0 0 0 0 28.1987 22.9048 -4.3373 H 0 0 0 0 0 0 0 0 0 24.7651 21.8260 -3.6377 H 0 0 0 0 0 0 0 0 0 25.8262 20.8020 -4.5734 H 0 0 0 0 0 0 0 0 0 26.4983 21.9905 -3.4609 H 0 0 0 0 0 0 0 0 0 26.9176 21.3648 -7.2530 H 0 0 0 0 0 0 0 0 0 28.8956 22.6982 -8.0579 H 0 0 0 0 0 0 0 0 0 29.6540 22.4078 -6.5897 H 0 0 0 0 0 0 0 0 0 29.3538 21.0871 -7.6414 H 0 0 0 0 0 0 0 0 0 28.9446 20.6772 -3.2326 H 0 0 0 0 0 0 0 0 0 31.4037 19.3665 -4.4166 H 0 0 0 0 0 0 0 0 0 31.1537 19.6796 -2.7011 H 0 0 0 0 0 0 0 0 0 30.1081 18.5577 -3.5452 H 0 0 0 0 0 0 0 0 0 30.3363 22.4811 -4.9193 H 0 0 0 0 0 0 0 0 0 30.1255 22.6353 -3.2619 H 0 0 0 0 0 0 0 0 0 32.4235 22.8121 -3.8254 H 0 0 0 0 0 0 0 0 0 32.1401 21.3995 -2.8304 H 0 0 0 0 0 0 0 0 0 32.4103 21.2126 -4.5683 H 0 0 0 0 0 0 0 0 0 23.9249 25.4535 -11.3644 H 0 0 0 0 0 0 0 0 0 24.6416 23.3404 -10.4871 H 0 0 0 0 0 0 0 0 0 23.8798 24.9183 -9.0030 H 0 0 0 0 0 0 0 0 0 21.6462 24.9897 -8.0520 H 0 0 0 0 0 0 0 0 0 20.5756 25.9240 -10.0977 H 0 0 0 0 0 0 0 0 0 23.4869 26.7000 -9.8210 H 0 0 0 0 0 0 0 0 0 22.2661 27.5582 -10.6716 H 0 0 0 0 0 0 0 0 0 23.3580 29.8376 -8.3296 H 0 0 0 0 0 0 0 0 0 21.8436 30.7299 -8.1494 H 0 0 0 0 0 0 0 0 0 22.3834 29.6350 -6.8786 H 0 0 0 0 0 0 0 0 0 23.0646 21.7095 -10.0630 H 0 0 0 0 0 0 0 0 0 25.6608 24.4235 -12.6643 H 0 0 0 0 0 0 0 0 0 25.0967 22.7689 -12.4479 H 0 0 0 0 0 0 0 0 0 26.0376 23.3425 -16.9167 H 0 0 0 0 0 0 0 0 0 25.5177 24.8100 -17.4227 H 0 0 0 0 0 0 0 0 0 22.5161 27.7902 -16.6966 H 0 0 0 0 0 0 0 0 0 16.3677 23.9004 -10.4957 H 0 0 0 0 0 0 0 0 0 16.1250 22.9174 -9.0464 H 0 0 0 0 0 0 0 0 0 16.3517 24.6572 -8.9053 H 0 0 0 0 0 0 0 0 0 22.7693 22.8448 -14.2120 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 6 0 0 0 1 9 1 0 0 0 0 1 56 1 1 0 0 0 2 3 1 0 0 0 0 3 26 1 0 0 0 0 3 4 1 6 0 0 0 3 57 1 1 0 0 0 4 5 1 0 0 0 0 4 58 1 0 0 0 0 4 59 1 0 0 0 0 5 6 1 1 0 0 0 5 10 1 0 0 0 0 5 60 1 6 0 0 0 6 7 1 0 0 0 0 7 61 1 0 0 0 0 7 62 1 0 0 0 0 7 63 1 0 0 0 0 8 10 1 0 0 0 0 8 64 1 0 0 0 0 9 65 1 0 0 0 0 9 66 1 0 0 0 0 9 67 1 0 0 0 0 10 11 1 6 0 0 0 11 13 1 0 0 0 0 11 12 1 6 0 0 0 11 68 1 0 0 0 0 12 69 1 0 0 0 0 12 70 1 0 0 0 0 12 71 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 18 1 6 0 0 0 16 17 1 1 0 0 0 16 72 1 0 0 0 0 17 73 1 0 0 0 0 17 74 1 0 0 0 0 17 75 1 0 0 0 0 18 19 1 0 0 0 0 18 76 1 0 0 0 0 18 77 1 0 0 0 0 19 78 1 0 0 0 0 19 79 1 0 0 0 0 19 80 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 33 1 1 0 0 0 21 22 1 6 0 0 0 21 81 1 0 0 0 0 22 34 1 0 0 0 0 22 23 1 6 0 0 0 22 82 1 1 0 0 0 23 26 1 6 0 0 0 23 24 1 0 0 0 0 23 83 1 0 0 0 0 24 32 1 0 0 0 0 24 25 1 1 0 0 0 24 84 1 6 0 0 0 25 27 1 0 0 0 0 25 85 1 6 0 0 0 27 28 1 0 0 0 0 27 86 1 0 0 0 0 27 87 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 88 1 0 0 0 0 31 89 1 0 0 0 0 31 90 1 0 0 0 0 32 53 1 0 0 0 0 33 55 1 0 0 0 0 33 35 1 1 0 0 0 33 39 1 0 0 0 0 34 91 1 0 0 0 0 35 42 2 0 0 0 0 35 36 1 0 0 0 0 36 43 1 0 0 0 0 36 37 2 0 0 0 0 37 40 1 0 0 0 0 37 38 1 0 0 0 0 38 41 2 0 0 0 0 38 39 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 43 45 1 0 0 0 0 43 44 2 0 0 0 0 45 96 1 0 0 0 0 46 48 1 0 0 0 0 46 53 1 0 0 0 0 46 47 2 0 0 0 0 47 51 1 0 0 0 0 47 52 1 0 0 0 0 48 49 2 0 0 0 0 49 50 2 0 0 0 0 51 97 1 0 0 0 0 51 98 1 0 0 0 0 51 99 1 0 0 0 0 53 54 2 0 0 0 0 55100 1 0 0 0 0 M END > 356207 > K $$$$ 400944 1016 111283D 400944 17 18 0 1 V2000 4.4390 4.3731 -0.4762 O 0 0 0 0 0 0 0 0 0 4.6530 1.5950 -0.4122 O 0 0 0 0 0 0 0 0 0 -0.0373 1.2938 0.0211 N 0 0 0 0 0 0 0 0 0 1.0114 3.5141 -0.1654 C 0 0 0 0 0 0 0 0 0 1.1009 2.0135 -0.1107 C 0 0 0 0 0 0 0 0 0 2.1072 4.2771 -0.2870 C 0 0 0 0 0 0 0 0 0 2.3249 1.3588 -0.1928 C 0 0 0 0 0 0 0 0 0 3.4705 3.6572 -0.3751 C 0 0 0 0 0 0 0 0 0 2.3562 -0.0291 -0.1415 C 0 0 0 0 0 0 0 0 0 -0.0300 -0.0591 0.0750 C 0 0 0 0 0 0 0 0 0 1.1741 -0.7449 -0.0073 C 0 0 0 0 0 0 0 0 0 3.5859 2.1585 -0.3346 C 0 0 0 0 0 0 0 0 0 0.0666 3.9700 -0.1066 H 0 0 0 0 0 0 0 0 0 2.0182 5.3225 -0.3216 H 0 0 0 0 0 0 0 0 0 3.2733 -0.5390 -0.2039 H 0 0 0 0 0 0 0 0 0 -0.9336 -0.5858 0.1788 H 0 0 0 0 0 0 0 0 0 1.1899 -1.7946 0.0317 H 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 5 2 0 0 0 0 4 6 2 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 M END > 400944 > K $$$$ 400978 1016 111283D 400978 38 40 1 1 V2000 0.0027 0.0341 -0.3524 O 0 0 0 0 0 0 0 0 0 2.7022 4.8997 0.0148 H 0 0 0 0 0 0 0 0 0 -0.0428 1.2244 -0.1428 C 0 0 0 0 0 0 0 0 0 1.2056 2.0365 -0.0789 C 0 0 0 0 0 0 0 0 0 3.3886 2.8604 -0.3539 C 0 0 0 0 0 0 0 0 0 2.4302 1.7063 -0.4873 C 0 0 0 0 0 0 0 0 0 -1.3538 1.9491 0.0510 C 0 0 2 0 0 0 0 0 0 2.6337 3.9246 0.4773 C 0 0 1 0 0 0 0 0 0 1.2225 3.4037 0.4846 C 0 0 0 0 0 0 0 0 0 -1.2046 3.2378 0.9083 C 0 0 0 0 0 0 0 0 0 0.1073 4.0148 0.9161 C 0 0 0 0 0 0 0 0 0 -2.4715 4.1013 0.9241 C 0 0 0 0 0 0 0 0 0 -2.0368 3.3752 2.1895 C 0 0 0 0 0 0 0 0 0 -2.4211 0.9588 0.5374 C 0 0 0 0 0 0 0 0 0 -1.7649 2.3811 -1.2312 O 0 0 0 0 0 0 0 0 0 0.1732 5.4465 1.3969 C 0 0 0 0 0 0 0 0 0 4.7193 2.4646 0.2939 C 0 0 0 0 0 0 0 0 0 3.1425 3.9560 1.7955 O 0 0 0 0 0 0 0 0 0 3.6219 3.3542 -1.7841 C 0 0 0 0 0 0 0 0 0 2.6897 0.7607 -0.8650 H 0 0 0 0 0 0 0 0 0 -2.3833 5.1748 0.9881 H 0 0 0 0 0 0 0 0 0 -3.3444 3.6940 0.4363 H 0 0 0 0 0 0 0 0 0 -2.7213 2.5911 2.4743 H 0 0 0 0 0 0 0 0 0 -1.6474 4.0181 2.9647 H 0 0 0 0 0 0 0 0 0 -2.4807 0.1158 -0.1356 H 0 0 0 0 0 0 0 0 0 -2.1816 0.5971 1.5271 H 0 0 0 0 0 0 0 0 0 -3.3870 1.4420 0.5530 H 0 0 0 0 0 0 0 0 0 -1.7676 1.6405 -1.8346 H 0 0 0 0 0 0 0 0 0 1.1731 5.8507 1.3642 H 0 0 0 0 0 0 0 0 0 -0.4383 6.0668 0.7590 H 0 0 0 0 0 0 0 0 0 -0.1822 5.5166 2.4137 H 0 0 0 0 0 0 0 0 0 5.2099 1.6953 -0.2838 H 0 0 0 0 0 0 0 0 0 5.3652 3.3295 0.3461 H 0 0 0 0 0 0 0 0 0 4.5549 2.0969 1.2966 H 0 0 0 0 0 0 0 0 0 2.6736 4.5984 2.3159 H 0 0 0 0 0 0 0 0 0 4.0935 2.5774 -2.3701 H 0 0 0 0 0 0 0 0 0 2.6770 3.6128 -2.2423 H 0 0 0 0 0 0 0 0 0 4.2583 4.2267 -1.7737 H 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 7 15 1 6 0 0 0 7 10 1 1 0 0 0 7 14 1 0 0 0 0 8 18 1 1 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 M END > 400978 > K $$$$ 403148 1016 111283D 403148 51 55 1 1 V2000 -8.7505 -4.1980 1.8104 O 0 0 0 0 0 0 0 0 0 -9.0076 -2.1238 2.9108 O 0 0 0 0 0 0 0 0 0 -3.0770 -1.0995 0.9718 H 0 0 0 0 0 0 0 0 0 -2.9233 -3.2994 3.0755 H 0 0 0 0 0 0 0 0 0 -0.6571 -1.8901 1.9386 O 0 0 0 0 0 0 0 0 0 -0.8134 -4.0785 1.4134 O 0 0 0 0 0 0 0 0 0 -1.5888 -0.9706 2.4804 C 0 0 0 0 0 0 0 0 0 -2.9532 -1.4452 1.9861 C 0 0 2 0 0 0 0 0 0 -4.2104 -1.0501 2.7499 C 0 0 0 0 0 0 0 0 0 -5.3643 -1.9666 2.4135 C 0 0 0 0 0 0 0 0 0 -6.6228 -1.5530 2.8421 C 0 0 0 0 0 0 0 0 0 -7.7187 -2.3599 2.5902 C 0 0 0 0 0 0 0 0 0 -2.7980 -2.9584 2.0568 C 0 0 1 0 0 0 0 0 0 -5.2032 -3.1749 1.7163 C 0 0 0 0 0 0 0 0 0 -7.5673 -3.5619 1.9434 C 0 0 0 0 0 0 0 0 0 -3.8528 -3.6346 1.1700 C 0 0 1 0 0 0 0 0 0 -1.3398 -3.0527 1.7686 C 0 0 0 0 0 0 0 0 0 -6.3192 -3.9870 1.5160 C 0 0 0 0 0 0 0 0 0 -9.6608 -3.2834 2.4108 C 0 0 0 0 0 0 0 0 0 -3.7173 -3.4727 -0.3457 C 0 0 0 0 0 0 0 0 0 -2.7304 -2.6988 -0.9541 C 0 0 0 0 0 0 0 0 0 -4.6128 -4.1252 -1.1886 C 0 0 0 0 0 0 0 0 0 -4.5670 -3.9861 -2.5733 C 0 0 0 0 0 0 0 0 0 -2.6557 -2.5342 -2.3338 C 0 0 0 0 0 0 0 0 0 -3.5929 -3.1710 -3.1398 C 0 0 0 0 0 0 0 0 0 -1.7005 -1.7708 -2.9498 O 0 0 0 0 0 0 0 0 0 -0.6603 -1.2013 -2.1775 C 0 0 0 0 0 0 0 0 0 -3.5569 -2.9954 -4.4917 O 0 0 0 0 0 0 0 0 0 -2.7450 -3.9634 -5.1222 C 0 0 0 0 0 0 0 0 0 -5.4332 -4.6123 -3.4280 O 0 0 0 0 0 0 0 0 0 -6.5014 -5.3758 -2.9039 C 0 0 0 0 0 0 0 0 0 -1.5391 -1.0087 3.5602 H 0 0 0 0 0 0 0 0 0 -1.3834 0.0373 2.1467 H 0 0 0 0 0 0 0 0 0 -4.0241 -1.1276 3.8116 H 0 0 0 0 0 0 0 0 0 -4.4611 -0.0243 2.5162 H 0 0 0 0 0 0 0 0 0 -6.7538 -0.6433 3.3504 H 0 0 0 0 0 0 0 0 0 -3.7607 -4.6950 1.3595 H 0 0 0 0 0 0 0 0 0 -6.2384 -4.9206 1.0466 H 0 0 0 0 0 0 0 0 0 -10.4002 -2.9855 1.6795 H 0 0 0 0 0 0 0 0 0 -10.1714 -3.7731 3.2284 H 0 0 0 0 0 0 0 0 0 -2.0104 -2.2148 -0.3762 H 0 0 0 0 0 0 0 0 0 -5.3467 -4.7426 -0.7769 H 0 0 0 0 0 0 0 0 0 -1.0600 -0.4833 -1.4757 H 0 0 0 0 0 0 0 0 0 -0.1113 -1.9680 -1.6483 H 0 0 0 0 0 0 0 0 0 0.0224 -0.6881 -2.8386 H 0 0 0 0 0 0 0 0 0 -1.7278 -3.9001 -4.7610 H 0 0 0 0 0 0 0 0 0 -3.1338 -4.9572 -4.9486 H 0 0 0 0 0 0 0 0 0 -2.7456 -3.7741 -6.1854 H 0 0 0 0 0 0 0 0 0 -7.1394 -4.7652 -2.2805 H 0 0 0 0 0 0 0 0 0 -7.0889 -5.7533 -3.7281 H 0 0 0 0 0 0 0 0 0 -6.1236 -6.2162 -2.3396 H 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 13 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 15 2 0 0 0 0 13 17 1 0 0 0 0 13 16 1 6 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 6 0 0 0 16 37 1 1 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 30 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M END > 403148 > K $$$$ 403883 1016 111283D 403883 42 44 1 1 V2000 -0.7636 -0.1566 -0.5411 H 0 0 0 0 0 0 0 0 0 0.2430 1.6240 0.1862 C 0 0 0 0 0 0 0 0 0 -0.1140 0.1230 0.2769 C 0 0 2 0 0 0 0 0 0 -0.7736 -0.4311 1.5410 C 0 0 0 0 0 0 0 0 0 -0.3580 -1.8967 1.4826 C 0 0 0 0 0 0 0 0 0 1.7044 1.5956 -0.3188 C 0 0 2 0 0 0 0 0 0 1.1381 -1.7769 1.1997 C 0 0 2 0 0 0 0 0 0 1.2087 -0.6524 0.1502 C 0 0 1 0 0 0 0 0 0 1.9259 1.3509 -1.8313 C 0 0 1 0 0 0 0 0 0 1.4511 -1.1110 -1.3015 C 0 0 0 0 0 0 0 0 0 1.2866 0.0354 -2.3062 C 0 0 0 0 0 0 0 0 0 2.2582 0.4104 0.4786 C 0 0 0 0 0 0 0 0 0 1.3478 2.4318 -2.5295 O 0 0 0 0 0 0 0 0 0 3.4164 1.3838 -2.1931 C 0 0 0 0 0 0 0 0 0 -0.7253 2.3893 -0.7281 C 0 0 0 0 0 0 0 0 0 0.1735 2.3612 1.5376 C 0 0 0 0 0 0 0 0 0 1.7777 -3.1176 0.8338 C 0 0 0 0 0 0 0 0 0 -0.3638 0.0084 2.4386 H 0 0 0 0 0 0 0 0 0 -1.8467 -0.3054 1.5257 H 0 0 0 0 0 0 0 0 0 -0.5581 -2.4094 2.4124 H 0 0 0 0 0 0 0 0 0 -0.8628 -2.3976 0.6675 H 0 0 0 0 0 0 0 0 0 2.2105 2.5132 -0.0538 H 0 0 0 0 0 0 0 0 0 1.6062 -1.4379 2.1143 H 0 0 0 0 0 0 0 0 0 2.4550 -1.5036 -1.3810 H 0 0 0 0 0 0 0 0 0 0.7559 -1.8949 -1.5650 H 0 0 0 0 0 0 0 0 0 0.2307 0.2058 -2.4453 H 0 0 0 0 0 0 0 0 0 1.6857 -0.2566 -3.2669 H 0 0 0 0 0 0 0 0 0 3.2540 0.1105 0.1900 H 0 0 0 0 0 0 0 0 0 2.2762 0.6322 1.5350 H 0 0 0 0 0 0 0 0 0 1.4143 2.2935 -3.4693 H 0 0 0 0 0 0 0 0 0 3.9532 0.5577 -1.7532 H 0 0 0 0 0 0 0 0 0 3.5287 1.3260 -3.2660 H 0 0 0 0 0 0 0 0 0 3.8486 2.3136 -1.8534 H 0 0 0 0 0 0 0 0 0 -1.7197 2.3813 -0.3050 H 0 0 0 0 0 0 0 0 0 -0.3976 3.4133 -0.8372 H 0 0 0 0 0 0 0 0 0 -0.7784 1.9456 -1.7092 H 0 0 0 0 0 0 0 0 0 0.8063 1.9064 2.2837 H 0 0 0 0 0 0 0 0 0 0.4885 3.3875 1.4136 H 0 0 0 0 0 0 0 0 0 -0.8411 2.3580 1.9102 H 0 0 0 0 0 0 0 0 0 1.6627 -3.8091 1.6560 H 0 0 0 0 0 0 0 0 0 1.3057 -3.5386 -0.0416 H 0 0 0 0 0 0 0 0 0 2.8308 -2.9768 0.6390 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 8 1 6 0 0 0 3 4 1 1 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 6 0 0 0 6 12 1 1 0 0 0 6 22 1 0 0 0 0 7 8 1 6 0 0 0 7 17 1 0 0 0 0 7 23 1 1 0 0 0 8 12 1 1 0 0 0 8 10 1 6 0 0 0 9 13 1 6 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 M END > 403883 > K $$$$ 404241 1016 111283D 404241 32 34 1 1 V2000 9.1627 -5.4495 1.2883 N 0 0 0 0 0 0 0 0 0 8.3885 -3.4657 0.2761 N 0 0 0 0 0 0 0 0 0 7.4556 -3.2486 3.6559 N 0 0 0 0 0 0 0 0 0 6.2945 -1.4112 -0.2043 O 0 0 0 0 0 0 0 0 0 7.2302 -1.9859 1.8369 N 0 0 0 0 0 0 0 0 0 8.6833 -5.0869 2.5029 C 0 0 0 0 0 0 0 0 0 8.0286 -3.8688 2.6053 C 0 0 0 0 0 0 0 0 0 7.8974 -3.0903 1.4759 C 0 0 0 0 0 0 0 0 0 6.9705 -2.0884 3.1585 C 0 0 0 0 0 0 0 0 0 9.0214 -4.6621 0.1900 C 0 0 0 0 0 0 0 0 0 6.8602 -0.8973 0.9832 C 0 0 1 0 0 0 0 0 0 8.0621 -0.0624 0.5550 C 0 0 1 0 0 0 0 0 0 7.4223 0.6401 -0.6373 C 0 0 1 0 0 0 0 0 0 6.6271 -0.5166 -1.2490 C 0 0 1 0 0 0 0 0 0 8.8574 -5.9164 3.5616 N 0 0 0 0 0 0 0 0 0 7.7622 -0.3838 -3.3484 O 0 0 0 0 0 0 0 0 0 7.4276 -1.2745 -2.3052 C 0 0 0 0 0 0 0 0 0 6.5526 1.6619 -0.1896 O 0 0 0 0 0 0 0 0 0 8.5385 0.7869 1.5817 O 0 0 0 0 0 0 0 0 0 6.4596 -1.3666 3.7283 H 0 0 0 0 0 0 0 0 0 9.4065 -4.9843 -0.7330 H 0 0 0 0 0 0 0 0 0 6.1452 -0.2477 1.4731 H 0 0 0 0 0 0 0 0 0 8.8448 -0.7282 0.2205 H 0 0 0 0 0 0 0 0 0 8.1672 1.0419 -1.3108 H 0 0 0 0 0 0 0 0 0 5.7335 -0.1303 -1.7173 H 0 0 0 0 0 0 0 0 0 9.3218 -6.7591 3.4414 H 0 0 0 0 0 0 0 0 0 8.5199 -5.6711 4.4377 H 0 0 0 0 0 0 0 0 0 8.1556 -0.8775 -4.0625 H 0 0 0 0 0 0 0 0 0 8.3236 -1.6858 -1.8622 H 0 0 0 0 0 0 0 0 0 6.8180 -2.0875 -2.6744 H 0 0 0 0 0 0 0 0 0 6.1988 2.1270 -0.9416 H 0 0 0 0 0 0 0 0 0 9.2222 1.3471 1.2309 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 9 1 0 0 0 0 5 8 1 0 0 0 0 6 15 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 1 0 0 0 11 22 1 0 0 0 0 12 19 1 1 0 0 0 12 13 1 6 0 0 0 12 23 1 0 0 0 0 13 18 1 1 0 0 0 13 14 1 6 0 0 0 13 24 1 0 0 0 0 14 17 1 6 0 0 0 14 25 1 1 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 404241 > K $$$$ 405158 1016 111283D 405158 27 28 0 1 V2000 1.0206 -2.3969 -0.2898 Cl 0 0 0 0 0 0 0 0 0 2.2824 1.3750 0.1685 C 0 0 0 0 0 0 0 0 0 2.2500 -0.0109 0.1077 C 0 0 0 0 0 0 0 0 0 1.1324 2.1164 -0.0862 C 0 0 0 0 0 0 0 0 0 1.0664 -0.6603 -0.2159 C 0 0 0 0 0 0 0 0 0 -0.0471 1.4627 -0.4198 C 0 0 0 0 0 0 0 0 0 -0.0806 0.0760 -0.4810 C 0 0 0 0 0 0 0 0 0 2.1666 3.5087 2.2705 C 0 0 0 0 0 0 0 0 0 1.7538 4.2577 1.0234 C 0 0 0 0 0 0 0 0 0 2.7605 4.1404 3.2896 C 0 0 0 0 0 0 0 0 0 2.0155 5.7431 0.9671 C 0 0 0 0 0 0 0 0 0 3.0235 5.6143 3.2129 C 0 0 0 0 0 0 0 0 0 2.6144 6.3736 1.9860 C 0 0 0 0 0 0 0 0 0 3.5790 6.2090 4.1623 N 0 0 0 0 0 0 0 0 0 3.9682 5.5036 5.3210 O 0 0 0 0 0 0 0 0 0 1.1666 3.6184 -0.0038 C 0 0 0 0 0 0 0 0 0 0.5144 4.3780 -1.1219 C 0 0 0 0 0 0 0 0 0 0.0068 4.9603 -1.9924 N 0 0 0 0 0 0 0 0 0 3.1837 1.8618 0.4075 H 0 0 0 0 0 0 0 0 0 3.1192 -0.5664 0.3063 H 0 0 0 0 0 0 0 0 0 -0.9169 2.0159 -0.6229 H 0 0 0 0 0 0 0 0 0 -0.9746 -0.4159 -0.7278 H 0 0 0 0 0 0 0 0 0 1.9905 2.4775 2.3602 H 0 0 0 0 0 0 0 0 0 3.0437 3.6040 4.1471 H 0 0 0 0 0 0 0 0 0 1.7320 6.2984 0.1221 H 0 0 0 0 0 0 0 0 0 2.7990 7.4055 1.9273 H 0 0 0 0 0 0 0 0 0 4.3726 6.1239 5.9175 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 13 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 17 18 3 0 0 0 0 M END > 405158 > K $$$$ 406021 1016 111283D 406021 31 33 1 1 V2000 5.9869 -4.9458 -6.0452 N 0 0 0 0 0 0 0 0 0 8.5244 -5.0149 -6.3502 S 0 0 0 0 0 0 0 0 0 4.9100 -4.6080 -4.0384 N 0 0 0 0 0 0 0 0 0 4.0730 -4.5466 -3.5521 H 0 0 0 0 0 0 0 0 0 8.3064 -4.4125 -3.1503 N 0 0 0 0 0 0 0 0 0 6.0305 -3.3119 -0.0036 O 0 0 0 0 0 0 0 0 0 6.3521 -4.2155 -2.0922 N 0 0 0 0 0 0 0 0 0 7.2334 -4.8497 -5.4903 C 0 0 0 0 0 0 0 0 0 7.2945 -4.5798 -4.0236 C 0 0 0 0 0 0 0 0 0 6.0867 -4.4679 -3.3779 C 0 0 0 0 0 0 0 0 0 7.6972 -4.1854 -1.9624 C 0 0 0 0 0 0 0 0 0 4.9170 -4.8374 -5.3886 C 0 0 0 0 0 0 0 0 0 5.3953 -4.0157 -1.0477 C 0 0 1 0 0 0 0 0 0 4.9653 -5.3348 -0.4163 C 0 0 1 0 0 0 0 0 0 4.5115 -4.8772 0.9680 C 0 0 1 0 0 0 0 0 0 5.2506 -3.5484 1.1504 C 0 0 1 0 0 0 0 0 0 5.3431 -3.7807 3.5243 O 0 0 0 0 0 0 0 0 0 6.1438 -3.5443 2.3859 C 0 0 0 0 0 0 0 0 0 3.1139 -4.6761 1.0223 O 0 0 0 0 0 0 0 0 0 3.9815 -6.0075 -1.1792 O 0 0 0 0 0 0 0 0 0 8.2045 -4.0075 -1.0584 H 0 0 0 0 0 0 0 0 0 4.0020 -4.9269 -5.8998 H 0 0 0 0 0 0 0 0 0 4.5254 -3.4796 -1.4060 H 0 0 0 0 0 0 0 0 0 5.8474 -5.9503 -0.3102 H 0 0 0 0 0 0 0 0 0 4.8071 -5.6168 1.7002 H 0 0 0 0 0 0 0 0 0 4.5162 -2.7615 1.2527 H 0 0 0 0 0 0 0 0 0 5.8817 -3.6939 4.3058 H 0 0 0 0 0 0 0 0 0 6.8925 -4.3177 2.2846 H 0 0 0 0 0 0 0 0 0 6.6370 -2.5843 2.4522 H 0 0 0 0 0 0 0 0 0 2.8689 -4.4623 1.9187 H 0 0 0 0 0 0 0 0 0 3.6025 -6.7040 -0.6525 H 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 12 1 0 0 0 0 3 10 1 0 0 0 0 3 4 1 0 0 0 0 5 11 2 0 0 0 0 5 9 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 11 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 6 0 0 0 13 23 1 0 0 0 0 14 20 1 6 0 0 0 14 15 1 1 0 0 0 14 24 1 0 0 0 0 15 19 1 6 0 0 0 15 16 1 1 0 0 0 15 25 1 0 0 0 0 16 18 1 1 0 0 0 16 26 1 6 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END > 406021 > K $$$$ 407010 1016 111283D 407010 31 33 0 1 V2000 1.9103 1.2521 0.1892 C 0 0 0 0 0 0 0 0 0 1.6460 -0.0956 0.3901 C 0 0 0 0 0 0 0 0 0 1.0398 2.2253 0.6606 C 0 0 0 0 0 0 0 0 0 0.4959 -0.4893 1.0614 C 0 0 0 0 0 0 0 0 0 2.4999 -4.7254 1.9188 C 0 0 0 0 0 0 0 0 0 -0.1155 1.8368 1.3433 C 0 0 0 0 0 0 0 0 0 -0.3768 0.4859 1.5331 C 0 0 0 0 0 0 0 0 0 0.2498 -1.9631 1.2506 C 0 0 0 0 0 0 0 0 0 1.3115 -4.0476 1.6848 C 0 0 0 0 0 0 0 0 0 2.4885 -6.0635 2.2890 C 0 0 0 0 0 0 0 0 0 -0.9952 -2.4566 1.3670 C 0 0 0 0 0 0 0 0 0 0.1060 -4.7149 1.8558 C 0 0 0 0 0 0 0 0 0 1.2765 -6.7336 2.4169 C 0 0 0 0 0 0 0 0 0 -1.1407 -3.9220 1.6545 C 0 0 0 0 0 0 0 0 0 0.0809 -6.0603 2.2004 C 0 0 0 0 0 0 0 0 0 1.3764 -2.7421 1.2915 O 0 0 0 0 0 0 0 0 0 -2.2286 -4.4445 1.7259 O 0 0 0 0 0 0 0 0 0 3.6789 -6.6765 2.5148 O 0 0 0 0 0 0 0 0 0 -2.0843 -1.6506 1.2243 O 0 0 0 0 0 0 0 0 0 -1.0416 2.6923 1.8578 O 0 0 0 0 0 0 0 0 0 1.4073 3.5113 0.4051 O 0 0 0 0 0 0 0 0 0 2.7772 1.5448 -0.3257 H 0 0 0 0 0 0 0 0 0 2.3191 -0.8185 0.0303 H 0 0 0 0 0 0 0 0 0 3.4148 -4.2220 1.8160 H 0 0 0 0 0 0 0 0 0 -1.2500 0.2152 2.0478 H 0 0 0 0 0 0 0 0 0 1.2635 -7.7504 2.6787 H 0 0 0 0 0 0 0 0 0 -0.8360 -6.5652 2.2977 H 0 0 0 0 0 0 0 0 0 3.5499 -7.5778 2.7892 H 0 0 0 0 0 0 0 0 0 -2.8784 -2.1745 1.2803 H 0 0 0 0 0 0 0 0 0 -0.7472 3.5918 1.8412 H 0 0 0 0 0 0 0 0 0 0.7124 4.1264 0.5915 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 7 2 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 5 24 1 0 0 0 0 6 20 1 0 0 0 0 6 7 1 0 0 0 0 7 25 1 0 0 0 0 8 16 1 0 0 0 0 8 11 2 0 0 0 0 9 16 1 0 0 0 0 9 12 2 0 0 0 0 10 18 1 0 0 0 0 10 13 1 0 0 0 0 11 19 1 0 0 0 0 11 14 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 15 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END > 407010 > K $$$$ 407335 1016 111283D 407335 33 34 1 1 V2000 1.4625 3.6413 0.2481 F 0 0 0 0 0 0 0 0 0 1.1983 3.9873 -2.5741 O 0 0 0 0 0 0 0 0 0 2.1565 2.0475 -3.0018 N 0 0 0 0 0 0 0 0 0 2.0547 2.1831 -3.9545 H 0 0 0 0 0 0 0 0 0 2.9147 0.6996 -1.2050 N 0 0 0 0 0 0 0 0 0 3.1023 0.0996 -3.3528 O 0 0 0 0 0 0 0 0 0 4.9479 -0.2277 -0.6766 O 0 0 0 0 0 0 0 0 0 2.4757 1.6213 -0.2866 C 0 0 0 0 0 0 0 0 0 1.8811 2.7609 -0.6618 C 0 0 0 0 0 0 0 0 0 1.7154 2.9883 -2.1362 C 0 0 0 0 0 0 0 0 0 5.1484 0.1846 0.6595 C 0 0 1 0 0 0 0 0 0 4.1937 -0.6352 1.5261 C 0 0 1 0 0 0 0 0 0 3.1655 -1.1462 0.5215 C 0 0 0 0 0 0 0 0 0 3.5763 -0.5233 -0.8121 C 0 0 1 0 0 0 0 0 0 2.7402 0.9171 -2.5431 C 0 0 0 0 0 0 0 0 0 4.8563 -1.7343 2.1250 O 0 0 0 0 0 0 0 0 0 4.1699 -2.2739 3.1665 C 0 0 0 0 0 0 0 0 0 3.0543 -1.8973 3.4379 O 0 0 0 0 0 0 0 0 0 4.8112 -3.3483 3.9839 C 0 0 0 0 0 0 0 0 0 6.5977 0.0358 1.1073 C 0 0 0 0 0 0 0 0 0 6.7228 0.5804 2.4050 O 0 0 0 0 0 0 0 0 0 2.5978 1.4490 0.7419 H 0 0 0 0 0 0 0 0 0 4.9003 1.2330 0.7392 H 0 0 0 0 0 0 0 0 0 3.7537 0.0191 2.2677 H 0 0 0 0 0 0 0 0 0 3.2681 -2.2194 0.4521 H 0 0 0 0 0 0 0 0 0 2.1515 -0.8985 0.7979 H 0 0 0 0 0 0 0 0 0 3.4501 -1.2775 -1.5800 H 0 0 0 0 0 0 0 0 0 5.1625 -4.1318 3.3300 H 0 0 0 0 0 0 0 0 0 5.6452 -2.9263 4.5243 H 0 0 0 0 0 0 0 0 0 4.0922 -3.7489 4.6823 H 0 0 0 0 0 0 0 0 0 6.8708 -1.0105 1.0949 H 0 0 0 0 0 0 0 0 0 7.2294 0.5740 0.4150 H 0 0 0 0 0 0 0 0 0 7.6048 0.4181 2.7242 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 10 2 0 0 0 0 3 15 1 0 0 0 0 3 10 1 0 0 0 0 3 4 1 0 0 0 0 5 15 1 0 0 0 0 5 14 1 0 0 0 0 5 8 1 0 0 0 0 6 15 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 6 0 0 0 11 20 1 1 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 13 1 6 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 6 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 M END > 407335 > K $$$$ 407806 1016 111283D 407806 61 65 1 1 V2000 -0.6705 0.2820 1.0293 O 0 0 0 0 0 0 0 0 0 -1.5519 1.4883 -0.6802 O 0 0 0 0 0 0 0 0 0 -0.6300 1.2283 0.0539 C 0 0 0 0 0 0 0 0 0 0.6859 1.9039 -0.0015 C 0 0 0 0 0 0 0 0 0 1.4285 1.3401 0.9495 C 0 0 0 0 0 0 0 0 0 0.6089 0.2945 1.6528 C 0 0 0 0 0 0 0 0 0 2.8575 1.6698 1.2932 C 0 0 1 0 0 0 0 0 0 3.7862 1.8342 0.0826 C 0 0 0 0 0 0 0 0 0 3.1033 2.9412 2.1228 C 0 0 1 0 0 0 0 0 0 2.7489 2.8303 3.6135 C 0 0 0 0 0 0 0 0 0 3.3379 3.9998 4.4170 C 0 0 0 0 0 0 0 0 0 4.8861 2.8010 0.5308 C 0 0 0 0 0 0 0 0 0 4.6366 2.9671 2.0302 C 0 0 1 0 0 0 0 0 0 4.8605 4.1601 4.2283 C 0 0 1 0 0 0 0 0 0 5.2368 4.1985 2.7294 C 0 0 1 0 0 0 0 0 0 5.4822 5.3410 5.0198 C 0 0 1 0 0 0 0 0 0 5.2475 5.1534 6.5329 C 0 0 0 0 0 0 0 0 0 6.0080 6.1608 7.4039 C 0 0 0 0 0 0 0 0 0 6.7579 4.2601 2.5399 C 0 0 0 0 0 0 0 0 0 7.0117 5.3047 4.7914 C 0 0 1 0 0 0 0 0 0 7.5095 6.1221 7.1155 C 0 0 1 0 0 0 0 0 0 7.3779 5.4253 3.3090 C 0 0 0 0 0 0 0 0 0 7.7782 6.3382 5.6268 C 0 0 0 0 0 0 0 0 0 8.1666 7.1451 7.8280 O 0 0 0 0 0 0 0 0 0 4.8627 6.6853 4.5886 C 0 0 0 0 0 0 0 0 0 2.3818 4.1573 1.5059 C 0 0 0 0 0 0 0 0 0 5.1000 1.8015 2.6858 O 0 0 0 0 0 0 0 0 0 0.9636 2.6695 -0.6620 H 0 0 0 0 0 0 0 0 0 0.5091 0.5376 2.7010 H 0 0 0 0 0 0 0 0 0 1.0749 -0.6759 1.5505 H 0 0 0 0 0 0 0 0 0 3.2338 0.8300 1.8626 H 0 0 0 0 0 0 0 0 0 4.1957 0.8751 -0.2009 H 0 0 0 0 0 0 0 0 0 3.2712 2.2661 -0.7630 H 0 0 0 0 0 0 0 0 0 1.6758 2.8095 3.7398 H 0 0 0 0 0 0 0 0 0 3.1517 1.9098 4.0122 H 0 0 0 0 0 0 0 0 0 2.8334 4.9080 4.1252 H 0 0 0 0 0 0 0 0 0 3.1201 3.8205 5.4596 H 0 0 0 0 0 0 0 0 0 5.8713 2.4060 0.3300 H 0 0 0 0 0 0 0 0 0 4.7710 3.7513 0.0292 H 0 0 0 0 0 0 0 0 0 5.2990 3.2546 4.6265 H 0 0 0 0 0 0 0 0 0 4.8233 5.0853 2.2745 H 0 0 0 0 0 0 0 0 0 4.1953 5.2465 6.7601 H 0 0 0 0 0 0 0 0 0 5.5659 4.1605 6.8188 H 0 0 0 0 0 0 0 0 0 5.6408 7.1604 7.2238 H 0 0 0 0 0 0 0 0 0 5.8444 5.9262 8.4456 H 0 0 0 0 0 0 0 0 0 7.2119 3.3493 2.9016 H 0 0 0 0 0 0 0 0 0 6.9911 4.3697 1.4906 H 0 0 0 0 0 0 0 0 0 7.3695 4.3368 5.1180 H 0 0 0 0 0 0 0 0 0 7.9061 5.1575 7.4048 H 0 0 0 0 0 0 0 0 0 8.4517 5.3781 3.1951 H 0 0 0 0 0 0 0 0 0 7.0327 6.3660 2.9054 H 0 0 0 0 0 0 0 0 0 8.8398 6.2291 5.4566 H 0 0 0 0 0 0 0 0 0 7.4948 7.3424 5.3489 H 0 0 0 0 0 0 0 0 0 8.0911 6.9785 8.7621 H 0 0 0 0 0 0 0 0 0 5.3457 7.5154 5.0801 H 0 0 0 0 0 0 0 0 0 4.9533 6.8381 3.5247 H 0 0 0 0 0 0 0 0 0 3.8153 6.7177 4.8488 H 0 0 0 0 0 0 0 0 0 1.3146 4.0454 1.6319 H 0 0 0 0 0 0 0 0 0 2.6760 5.0792 1.9823 H 0 0 0 0 0 0 0 0 0 2.5919 4.2470 0.4509 H 0 0 0 0 0 0 0 0 0 6.0174 1.6443 2.4940 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 1 0 0 0 7 8 1 6 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 13 1 0 0 0 0 9 10 1 1 0 0 0 9 26 1 6 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 27 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 1 0 0 0 14 15 1 6 0 0 0 14 40 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 6 0 0 0 16 20 1 0 0 0 0 16 17 1 1 0 0 0 16 25 1 6 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 1 0 0 0 20 22 1 6 0 0 0 20 48 1 0 0 0 0 21 24 1 1 0 0 0 21 23 1 6 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 M END > 407806 > K $$$$ 408120 1016 111283D 408120 30 32 0 1 V2000 0.1423 4.1518 0.3189 O 0 0 0 0 0 0 0 0 0 4.6797 1.6035 -0.6254 O 0 0 0 0 0 0 0 0 0 0.0107 1.2981 0.1565 C 0 0 0 0 0 0 0 0 0 0.0708 -0.0848 0.0476 C 0 0 0 0 0 0 0 0 0 1.1715 2.0619 0.0095 C 0 0 0 0 0 0 0 0 0 1.1791 3.5710 0.1128 C 0 0 0 0 0 0 0 0 0 2.4564 4.3673 -0.0367 C 0 0 0 0 0 0 0 0 0 2.4986 5.7597 0.0713 C 0 0 0 0 0 0 0 0 0 3.7037 6.4312 -0.0874 C 0 0 0 0 0 0 0 0 0 1.2729 -0.7305 -0.2075 C 0 0 0 0 0 0 0 0 0 2.3744 1.4079 -0.2433 C 0 0 0 0 0 0 0 0 0 3.6399 3.6803 -0.2936 C 0 0 0 0 0 0 0 0 0 4.8784 5.7427 -0.3575 C 0 0 0 0 0 0 0 0 0 2.4260 0.0242 -0.3516 C 0 0 0 0 0 0 0 0 0 3.6447 2.1858 -0.4045 C 0 0 0 0 0 0 0 0 0 4.8413 4.3591 -0.4530 C 0 0 0 0 0 0 0 0 0 6.1705 6.4866 -0.5422 C 0 0 0 0 0 0 0 0 0 1.4416 6.5775 0.3270 O 0 0 0 0 0 0 0 0 0 -1.2383 1.7748 0.4077 O 0 0 0 0 0 0 0 0 0 1.3659 -2.0803 -0.3222 O 0 0 0 0 0 0 0 0 0 -0.8096 -0.6446 0.1608 H 0 0 0 0 0 0 0 0 0 3.7169 7.4781 -0.0010 H 0 0 0 0 0 0 0 0 0 3.3379 -0.4614 -0.5435 H 0 0 0 0 0 0 0 0 0 5.7245 3.8225 -0.6477 H 0 0 0 0 0 0 0 0 0 6.5854 6.7259 0.4264 H 0 0 0 0 0 0 0 0 0 6.8799 5.8830 -1.0902 H 0 0 0 0 0 0 0 0 0 5.9962 7.4015 -1.0900 H 0 0 0 0 0 0 0 0 0 0.6277 6.1117 0.4579 H 0 0 0 0 0 0 0 0 0 -1.2772 2.7194 0.4683 H 0 0 0 0 0 0 0 0 0 0.5144 -2.4913 -0.2154 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 19 1 0 0 0 0 4 10 2 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 M END > 408120 > K $$$$ 521777 1016 111283D 521777 79 82 1 1 V2000 0.0600 2.8630 -1.3443 C 0 0 0 0 0 0 0 0 0 -0.2177 3.2666 -2.7640 C 0 0 0 0 0 0 0 0 0 -0.9914 3.0118 -0.2613 C 0 0 1 0 0 0 0 0 0 0.4314 3.5263 -5.1333 C 0 0 0 0 0 0 0 0 0 0.7280 3.1560 -3.7063 C 0 0 0 0 0 0 0 0 0 -2.1719 2.0546 -0.5537 C 0 0 1 0 0 0 0 0 0 -4.3805 3.4469 -0.5304 C 0 0 0 0 0 0 0 0 0 -1.9068 0.5619 -0.3024 C 0 0 1 0 0 0 0 0 0 -3.5586 2.3008 0.0774 C 0 0 1 0 0 0 0 0 0 -5.8368 3.4089 -0.1325 C 0 0 0 0 0 0 0 0 0 -3.2287 -0.0322 0.2054 C 0 0 0 0 0 0 0 0 0 -4.2957 0.9750 -0.2396 C 0 0 1 0 0 0 0 0 0 -6.5952 2.1400 0.2299 C 0 0 1 0 0 0 0 0 0 -8.5619 3.3409 1.3232 C 0 0 0 0 0 0 0 0 0 -5.6225 0.9748 0.5534 C 0 0 1 0 0 0 0 0 0 -7.4891 2.2855 1.4947 C 0 0 1 0 0 0 0 0 0 -9.7929 3.2471 1.8384 C 0 0 0 0 0 0 0 0 0 -6.3977 -0.3392 0.6209 C 0 0 0 0 0 0 0 0 0 -8.0523 0.9620 2.0110 C 0 0 0 0 0 0 0 0 0 -10.1817 2.0811 2.7021 C 0 0 0 0 0 0 0 0 0 -9.1935 0.9916 3.0228 C 0 0 0 0 0 0 0 0 0 -7.5471 -0.2151 1.5880 C 0 0 0 0 0 0 0 0 0 -11.3046 2.0280 3.1489 O 0 0 0 0 0 0 0 0 0 -6.4151 4.4682 -0.1176 O 0 0 0 0 0 0 0 0 0 1.1495 2.4098 -1.0788 O 0 0 0 0 0 0 0 0 0 -10.6732 4.2420 1.5489 O 0 0 0 0 0 0 0 0 0 -9.9824 -0.3228 3.1584 C 0 0 0 0 0 0 0 0 0 -8.6343 1.3579 4.4010 C 0 0 0 0 0 0 0 0 0 -7.5269 1.8988 -0.9758 C 0 0 0 0 0 0 0 0 0 -3.4017 2.6439 1.5759 C 0 0 0 0 0 0 0 0 0 -4.5456 0.6809 -1.7364 C 0 0 0 0 0 0 0 0 0 -0.2572 2.8025 1.0729 C 0 0 0 0 0 0 0 0 0 -1.5002 4.3302 -0.1795 O 0 0 0 0 0 0 0 0 0 -1.5345 -0.0010 -1.5409 O 0 0 0 0 0 0 0 0 0 -0.2461 4.7625 -5.1326 O 0 0 0 0 0 0 0 0 0 1.7264 3.6443 -5.9401 C 0 0 0 0 0 0 0 0 0 -0.4787 2.4507 -5.7280 C 0 0 0 0 0 0 0 0 0 -1.1637 3.6401 -3.0242 H 0 0 0 0 0 0 0 0 0 1.6835 2.8040 -3.4455 H 0 0 0 0 0 0 0 0 0 -2.3509 2.1479 -1.6150 H 0 0 0 0 0 0 0 0 0 -3.9685 4.3971 -0.2223 H 0 0 0 0 0 0 0 0 0 -4.3353 3.4168 -1.6078 H 0 0 0 0 0 0 0 0 0 -1.1336 0.3881 0.4317 H 0 0 0 0 0 0 0 0 0 -3.3971 -1.0225 -0.1935 H 0 0 0 0 0 0 0 0 0 -3.2008 -0.1010 1.2828 H 0 0 0 0 0 0 0 0 0 -8.3497 4.2074 0.7721 H 0 0 0 0 0 0 0 0 0 -5.3139 1.0842 1.5818 H 0 0 0 0 0 0 0 0 0 -6.8526 2.6540 2.2868 H 0 0 0 0 0 0 0 0 0 -6.7791 -0.6109 -0.3521 H 0 0 0 0 0 0 0 0 0 -5.7441 -1.1296 0.9602 H 0 0 0 0 0 0 0 0 0 -7.9602 -1.1150 1.9344 H 0 0 0 0 0 0 0 0 0 -11.5191 4.0369 1.9371 H 0 0 0 0 0 0 0 0 0 -10.8232 -0.1955 3.8262 H 0 0 0 0 0 0 0 0 0 -10.3556 -0.6352 2.1934 H 0 0 0 0 0 0 0 0 0 -9.3556 -1.1023 3.5671 H 0 0 0 0 0 0 0 0 0 -9.4367 1.4044 5.1250 H 0 0 0 0 0 0 0 0 0 -7.9166 0.6182 4.7231 H 0 0 0 0 0 0 0 0 0 -8.1527 2.3249 4.3648 H 0 0 0 0 0 0 0 0 0 -6.9852 1.7351 -1.8902 H 0 0 0 0 0 0 0 0 0 -8.1760 1.0532 -0.8081 H 0 0 0 0 0 0 0 0 0 -8.1528 2.7649 -1.1377 H 0 0 0 0 0 0 0 0 0 -2.8490 3.5655 1.6814 H 0 0 0 0 0 0 0 0 0 -4.3511 2.8101 2.0616 H 0 0 0 0 0 0 0 0 0 -2.8796 1.8622 2.1065 H 0 0 0 0 0 0 0 0 0 -5.1495 -0.2078 -1.8442 H 0 0 0 0 0 0 0 0 0 -5.0337 1.5003 -2.2332 H 0 0 0 0 0 0 0 0 0 -3.6275 0.5063 -2.2760 H 0 0 0 0 0 0 0 0 0 0.2802 1.8655 1.0727 H 0 0 0 0 0 0 0 0 0 0.4617 3.6000 1.1963 H 0 0 0 0 0 0 0 0 0 -0.9175 2.8208 1.9232 H 0 0 0 0 0 0 0 0 0 -1.7280 4.6675 -1.0397 H 0 0 0 0 0 0 0 0 0 -1.3215 -0.9216 -1.4217 H 0 0 0 0 0 0 0 0 0 -0.4292 5.0319 -6.0276 H 0 0 0 0 0 0 0 0 0 2.2739 2.7137 -5.9062 H 0 0 0 0 0 0 0 0 0 1.4962 3.8778 -6.9692 H 0 0 0 0 0 0 0 0 0 2.3410 4.4340 -5.5336 H 0 0 0 0 0 0 0 0 0 0.0006 1.4843 -5.6639 H 0 0 0 0 0 0 0 0 0 -1.4096 2.4225 -5.1800 H 0 0 0 0 0 0 0 0 0 -0.6900 2.6779 -6.7622 H 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 2 5 2 0 0 0 0 2 38 1 0 0 0 0 3 33 1 0 0 0 0 3 6 1 6 0 0 0 3 32 1 1 0 0 0 4 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 39 1 0 0 0 0 6 8 1 1 0 0 0 6 9 1 0 0 0 0 6 40 1 6 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 34 1 6 0 0 0 8 11 1 0 0 0 0 8 43 1 1 0 0 0 9 12 1 6 0 0 0 9 30 1 1 0 0 0 10 24 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 15 1 1 0 0 0 12 31 1 6 0 0 0 13 15 1 0 0 0 0 13 16 1 1 0 0 0 13 29 1 6 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 1 0 0 0 16 19 1 0 0 0 0 16 48 1 1 0 0 0 17 26 1 0 0 0 0 17 20 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 20 21 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 22 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 M END > 521777 > K $$$$ 529469 1016 111283D 529469 17 16 1 1 V2000 0.3620 1.4856 -1.0406 C 0 0 0 0 0 0 0 0 0 0.1989 0.3049 -0.3964 O 0 0 0 0 0 0 0 0 0 1.4433 1.7305 -1.5926 O 0 0 0 0 0 0 0 0 0 -0.7643 2.4805 -1.0781 C 0 0 1 0 0 0 0 0 0 -0.4419 3.6418 -1.9018 N 0 0 0 0 0 0 0 0 0 -2.0303 1.7784 -1.5678 C 0 0 0 0 0 0 0 0 0 -3.1469 2.7057 -1.5566 N 0 0 0 0 0 0 0 0 0 -3.3530 3.2542 -0.2171 O 0 0 0 0 0 0 0 0 0 -4.3824 2.0559 -2.0757 N 0 0 0 0 0 0 0 0 0 -5.4039 2.7457 -2.2800 O 0 0 0 0 0 0 0 0 0 1.0242 -0.1634 -0.4610 H 0 0 0 0 0 0 0 0 0 -0.9308 2.8131 -0.0635 H 0 0 0 0 0 0 0 0 0 -0.2589 3.3990 -2.8556 H 0 0 0 0 0 0 0 0 0 -1.1507 4.3464 -1.8442 H 0 0 0 0 0 0 0 0 0 -1.8816 1.4180 -2.5752 H 0 0 0 0 0 0 0 0 0 -2.2598 0.9445 -0.9198 H 0 0 0 0 0 0 0 0 0 -4.1110 3.8306 -0.2502 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 6 0 0 0 4 12 1 1 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 M END > 529469 > K $$$$ 600300 1016 111283D 600300 45 44 0 2 V2000 -0.7093 -2.0251 1.5132 C 0 0 0 0 0 0 0 0 0 -0.3578 -0.2553 1.8564 Si 0 0 0 0 0 0 0 0 0 -0.9709 0.8780 0.6195 C 0 0 0 0 0 0 0 0 0 -1.0946 0.1267 3.5024 C 0 0 0 0 0 0 0 0 0 1.5646 0.0484 1.7457 C 0 0 0 0 0 0 0 0 0 2.5689 -0.4445 2.6605 N 0 2 0 0 0 0 0 0 0 3.8251 -1.9111 2.3976 Pt 0 0 0 0 0 0 0 0 0 5.3607 -3.1173 2.6372 Cl 0 3 0 0 0 0 0 0 0 2.7941 -2.5278 0.8334 Cl 0 3 0 0 0 0 0 0 0 4.5312 -0.9433 3.8908 N 0 2 0 0 0 0 0 0 0 5.5377 -1.1932 4.9104 C 0 0 0 0 0 0 0 0 0 7.3337 -0.4333 4.9316 Si 0 0 0 0 0 0 0 0 0 8.0476 -1.1235 6.4170 C 0 0 0 0 0 0 0 0 0 8.2501 -0.9834 3.4281 C 0 0 0 0 0 0 0 0 0 7.4098 1.4011 4.9201 C 0 0 0 0 0 0 0 0 0 1.8335 -0.1642 3.3343 H 0 0 0 0 0 0 0 0 0 2.5296 -0.2493 3.6799 H 0 0 0 0 0 0 0 0 0 4.8259 -0.0988 3.3394 H 0 0 0 0 0 0 0 0 0 4.3213 -0.0068 4.2569 H 0 0 0 0 0 0 0 0 0 -0.5000 -2.7277 2.2994 H 0 0 0 0 0 0 0 0 0 -1.7872 -2.0462 1.4148 H 0 0 0 0 0 0 0 0 0 -0.3531 -2.3320 0.5357 H 0 0 0 0 0 0 0 0 0 -0.7780 1.8944 0.9076 H 0 0 0 0 0 0 0 0 0 -0.5498 0.6595 -0.3580 H 0 0 0 0 0 0 0 0 0 -2.0371 0.7398 0.5708 H 0 0 0 0 0 0 0 0 0 -2.1608 0.0284 3.3374 H 0 0 0 0 0 0 0 0 0 -0.8939 -0.5500 4.3214 H 0 0 0 0 0 0 0 0 0 -0.9812 1.1632 3.7814 H 0 0 0 0 0 0 0 0 0 1.9134 -0.0849 0.7270 H 0 0 0 0 0 0 0 0 0 1.5122 1.1231 1.8939 H 0 0 0 0 0 0 0 0 0 2.0698 -1.3406 2.7285 H 0 0 0 0 0 0 0 0 0 4.9809 -4.2684 3.3855 H 0 0 0 0 0 0 0 0 0 3.4111 -2.1918 -0.4092 H 0 0 0 0 0 0 0 0 0 5.3335 -1.0375 3.2751 H 0 0 0 0 0 0 0 0 0 5.0869 -0.8522 5.8458 H 0 0 0 0 0 0 0 0 0 5.7226 -2.2521 5.0246 H 0 0 0 0 0 0 0 0 0 8.0483 -2.2068 6.3938 H 0 0 0 0 0 0 0 0 0 9.0679 -0.7822 6.4618 H 0 0 0 0 0 0 0 0 0 7.5258 -0.7492 7.2804 H 0 0 0 0 0 0 0 0 0 8.0320 -0.4933 2.4898 H 0 0 0 0 0 0 0 0 0 9.2633 -0.6596 3.6354 H 0 0 0 0 0 0 0 0 0 8.3626 -2.0581 3.3460 H 0 0 0 0 0 0 0 0 0 8.4610 1.6212 5.0493 H 0 0 0 0 0 0 0 0 0 7.1391 1.9093 3.9992 H 0 0 0 0 0 0 0 0 0 6.9379 1.8288 5.7851 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 M CHG 4 6 2 8 1 9 1 10 2 M END > 600300 > K $$$$ 600305 1016 111283D 600305 50 52 0 1 V2000 8.6885 6.3280 1.9439 C 0 0 0 0 0 0 0 0 0 9.2860 7.1140 2.9233 C 0 0 0 0 0 0 0 0 0 9.6142 8.4351 2.6309 C 0 0 0 0 0 0 0 0 0 9.3546 8.9678 1.3737 C 0 0 0 0 0 0 0 0 0 8.7621 8.1810 0.3958 C 0 0 0 0 0 0 0 0 0 8.4301 6.8675 0.6911 C 0 0 0 0 0 0 0 0 0 7.7881 6.0963 -0.4157 C 0 0 0 0 0 0 0 0 0 7.5747 6.7193 -1.6087 N 0 0 0 0 0 0 0 0 0 7.9638 8.0247 -1.7679 C 0 0 0 0 0 0 0 0 0 6.9736 6.0203 -2.6204 C 0 0 0 0 0 0 0 0 0 6.7287 6.5723 -3.8205 C 0 0 0 0 0 0 0 0 0 7.1443 7.9972 -4.0680 C 0 0 0 0 0 0 0 0 0 7.7364 8.6938 -3.0902 C 0 0 0 0 0 0 0 0 0 8.5047 8.6828 -0.8450 N 0 0 0 0 0 0 0 0 0 9.5674 6.5241 4.2830 C 0 0 0 0 0 0 0 0 0 11.0571 6.5928 4.6242 C 0 0 0 0 0 0 0 0 0 8.7217 7.2108 5.3567 C 0 0 0 0 0 0 0 0 0 7.4657 4.9433 -0.2519 O 0 0 0 0 0 0 0 0 0 6.0503 5.8149 -4.9325 C 0 0 0 0 0 0 0 0 0 5.8936 6.3653 -5.9959 O 0 0 0 0 0 0 0 0 0 5.6016 4.5376 -4.8024 N 0 0 0 0 0 0 0 0 0 4.9785 3.8580 -5.9048 C 0 0 0 0 0 0 0 0 0 4.6207 2.4198 -5.5202 C 0 0 0 0 0 0 0 0 0 5.7614 1.6772 -4.9806 N 0 0 0 0 0 0 0 0 0 5.3771 0.4686 -4.2580 C 0 0 0 0 0 0 0 0 0 6.8625 1.4520 -5.9135 C 0 0 0 0 0 0 0 0 0 8.4311 5.3290 2.1446 H 0 0 0 0 0 0 0 0 0 10.0627 9.0403 3.3628 H 0 0 0 0 0 0 0 0 0 9.6054 9.9650 1.1607 H 0 0 0 0 0 0 0 0 0 6.6981 5.0221 -2.4449 H 0 0 0 0 0 0 0 0 0 6.9697 8.4424 -5.0037 H 0 0 0 0 0 0 0 0 0 8.0366 9.6884 -3.2417 H 0 0 0 0 0 0 0 0 0 9.2905 5.4787 4.2770 H 0 0 0 0 0 0 0 0 0 11.3848 7.6199 4.6924 H 0 0 0 0 0 0 0 0 0 11.2356 6.1048 5.5715 H 0 0 0 0 0 0 0 0 0 11.6301 6.0888 3.8591 H 0 0 0 0 0 0 0 0 0 8.9769 8.2583 5.4280 H 0 0 0 0 0 0 0 0 0 7.6743 7.1183 5.1075 H 0 0 0 0 0 0 0 0 0 8.8944 6.7408 6.3141 H 0 0 0 0 0 0 0 0 0 5.6980 4.0678 -3.9610 H 0 0 0 0 0 0 0 0 0 4.0760 4.3798 -6.1922 H 0 0 0 0 0 0 0 0 0 5.6486 3.8518 -6.7522 H 0 0 0 0 0 0 0 0 0 3.8503 2.4811 -4.7638 H 0 0 0 0 0 0 0 0 0 4.2124 1.9070 -6.3797 H 0 0 0 0 0 0 0 0 0 4.6600 0.7095 -3.4861 H 0 0 0 0 0 0 0 0 0 4.9396 -0.2518 -4.9347 H 0 0 0 0 0 0 0 0 0 6.2426 0.0273 -3.7843 H 0 0 0 0 0 0 0 0 0 7.6770 0.9482 -5.4126 H 0 0 0 0 0 0 0 0 0 6.5320 0.8452 -6.7446 H 0 0 0 0 0 0 0 0 0 7.2400 2.3915 -6.2889 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 2 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 14 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 18 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 14 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END > 600305 > K $$$$ 600681 1016 111283D 600681 51 54 1 1 V2000 -0.0342 1.2512 0.0038 C 0 0 0 0 0 0 0 0 0 0.2042 -0.1063 0.2275 C 0 0 0 0 0 0 0 0 0 1.4795 -0.5813 0.5319 C 0 0 0 0 0 0 0 0 0 2.5177 0.3356 0.6126 C 0 0 0 0 0 0 0 0 0 2.2513 1.6660 0.3871 C 0 0 0 0 0 0 0 0 0 1.0063 2.1756 0.0747 C 0 0 0 0 0 0 0 0 0 0.9134 3.6707 -0.1499 C 0 0 1 0 0 0 0 0 0 2.2633 4.2786 -0.6126 C 0 0 1 0 0 0 0 0 0 3.4175 3.8752 0.3343 C 0 0 0 0 0 0 0 0 0 3.4117 2.3867 0.5199 C 0 0 0 0 0 0 0 0 0 4.3982 1.4637 0.8290 C 0 0 0 0 0 0 0 0 0 3.8394 0.2233 0.8842 N 0 0 0 0 0 0 0 0 0 -0.2008 3.9987 -1.1052 C 0 0 0 0 0 0 0 0 0 0.0362 4.3116 -2.3867 C 0 0 0 0 0 0 0 0 0 1.4360 4.3360 -2.9352 C 0 0 0 0 0 0 0 0 0 2.4827 3.8922 -2.0121 N 0 0 0 0 0 0 0 0 0 4.5421 -0.9935 1.1803 C 0 0 0 0 0 0 0 0 0 4.8725 -1.7373 -0.1141 C 0 0 0 0 0 0 0 0 0 5.5749 -3.0638 0.1826 C 0 0 0 0 0 0 0 0 0 5.9009 -3.8325 -1.0989 C 0 0 0 0 0 0 0 0 0 6.5927 -5.1569 -0.7810 C 0 0 0 0 0 0 0 0 0 3.8068 4.1586 -2.5739 C 0 0 0 0 0 0 0 0 0 -1.1000 4.6505 -3.3099 C 0 0 0 0 0 0 0 0 0 0.6658 4.1142 0.8037 H 0 0 0 0 0 0 0 0 0 2.1821 5.3566 -0.5772 H 0 0 0 0 0 0 0 0 0 -1.0079 1.5734 -0.2210 H 0 0 0 0 0 0 0 0 0 -0.5951 -0.7848 0.1651 H 0 0 0 0 0 0 0 0 0 1.6517 -1.6038 0.6955 H 0 0 0 0 0 0 0 0 0 4.3749 4.2187 -0.0253 H 0 0 0 0 0 0 0 0 0 3.2406 4.3240 1.3009 H 0 0 0 0 0 0 0 0 0 5.4107 1.6886 0.9931 H 0 0 0 0 0 0 0 0 0 -1.1898 3.9771 -0.7519 H 0 0 0 0 0 0 0 0 0 1.4612 3.6971 -3.8071 H 0 0 0 0 0 0 0 0 0 1.6366 5.3506 -3.2503 H 0 0 0 0 0 0 0 0 0 5.4601 -0.7701 1.7064 H 0 0 0 0 0 0 0 0 0 3.9286 -1.6196 1.8130 H 0 0 0 0 0 0 0 0 0 3.9563 -1.9296 -0.6545 H 0 0 0 0 0 0 0 0 0 5.5120 -1.1160 -0.7253 H 0 0 0 0 0 0 0 0 0 6.4922 -2.8661 0.7201 H 0 0 0 0 0 0 0 0 0 4.9306 -3.6721 0.8014 H 0 0 0 0 0 0 0 0 0 4.9874 -4.0361 -1.6399 H 0 0 0 0 0 0 0 0 0 6.5520 -3.2366 -1.7228 H 0 0 0 0 0 0 0 0 0 5.9492 -5.7721 -0.1685 H 0 0 0 0 0 0 0 0 0 6.8100 -5.6813 -1.7002 H 0 0 0 0 0 0 0 0 0 7.5175 -4.9731 -0.2532 H 0 0 0 0 0 0 0 0 0 4.5568 3.5652 -2.0728 H 0 0 0 0 0 0 0 0 0 3.8376 3.8976 -3.6223 H 0 0 0 0 0 0 0 0 0 4.0508 5.2068 -2.4691 H 0 0 0 0 0 0 0 0 0 -2.0471 4.6301 -2.7903 H 0 0 0 0 0 0 0 0 0 -0.9459 5.6395 -3.7163 H 0 0 0 0 0 0 0 0 0 -1.1280 3.9358 -4.1193 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 12 1 0 0 0 0 4 5 2 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 6 0 0 0 7 24 1 1 0 0 0 8 16 1 6 0 0 0 8 9 1 1 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 M END > 600681 > K $$$$ 601101 1016 111283D 601101 49 51 0 1 V2000 -1.5579 12.7904 6.0879 C 0 0 0 0 0 0 0 0 0 -1.8949 13.8017 6.9817 C 0 0 0 0 0 0 0 0 0 -1.1222 14.9579 7.0709 C 0 0 0 0 0 0 0 0 0 0.0032 15.1274 6.2690 C 0 0 0 0 0 0 0 0 0 0.3396 14.1193 5.3776 C 0 0 0 0 0 0 0 0 0 -0.4327 12.9835 5.3002 C 0 0 0 0 0 0 0 0 0 0.1835 12.2221 4.3351 C 0 0 0 0 0 0 0 0 0 1.2507 12.9368 3.9160 N 0 0 0 0 0 0 0 0 0 1.3949 14.0661 4.4952 O 0 0 0 0 0 0 0 0 0 0.0249 8.8505 2.3855 C 0 0 0 0 0 0 0 0 0 -1.0845 8.1651 2.8750 C 0 0 0 0 0 0 0 0 0 -1.4210 6.9154 2.3740 C 0 0 0 0 0 0 0 0 0 -0.6477 6.3415 1.3761 C 0 0 0 0 0 0 0 0 0 0.4586 7.0208 0.8857 C 0 0 0 0 0 0 0 0 0 0.8043 8.2750 1.3849 C 0 0 0 0 0 0 0 0 0 1.8824 8.9939 0.9470 O 0 0 0 0 0 0 0 0 0 2.7652 8.3844 0.0234 C 0 0 0 0 0 0 0 0 0 3.9653 9.2954 -0.2115 C 0 0 0 0 0 0 0 0 0 4.8921 8.6680 -1.1600 N 0 0 0 0 0 0 0 0 0 4.5557 8.9301 -2.5611 C 0 0 0 0 0 0 0 0 0 5.0688 7.8325 -3.4917 C 0 0 0 0 0 0 0 0 0 6.3076 8.8288 -0.8229 C 0 0 0 0 0 0 0 0 0 6.6977 7.9449 0.3605 C 0 0 0 0 0 0 0 0 0 -0.2556 10.8702 3.8557 C 0 0 0 0 0 0 0 0 0 0.4222 10.2127 2.9035 C 0 0 0 0 0 0 0 0 0 -1.1125 10.4493 4.2873 H 0 0 0 0 0 0 0 0 0 1.2770 10.6679 2.4933 H 0 0 0 0 0 0 0 0 0 -2.1339 11.9152 6.0132 H 0 0 0 0 0 0 0 0 0 -2.7407 13.6921 7.5955 H 0 0 0 0 0 0 0 0 0 -1.3924 15.7110 7.7519 H 0 0 0 0 0 0 0 0 0 0.5881 15.9968 6.3330 H 0 0 0 0 0 0 0 0 0 -1.6846 8.5784 3.6288 H 0 0 0 0 0 0 0 0 0 -2.2593 6.4054 2.7493 H 0 0 0 0 0 0 0 0 0 -0.8986 5.3961 0.9928 H 0 0 0 0 0 0 0 0 0 1.0304 6.5710 0.1304 H 0 0 0 0 0 0 0 0 0 3.1364 7.4474 0.4153 H 0 0 0 0 0 0 0 0 0 2.2579 8.2108 -0.9146 H 0 0 0 0 0 0 0 0 0 3.6247 10.2532 -0.5796 H 0 0 0 0 0 0 0 0 0 4.4258 9.4601 0.7514 H 0 0 0 0 0 0 0 0 0 3.4826 8.9662 -2.6865 H 0 0 0 0 0 0 0 0 0 4.9610 9.8850 -2.8670 H 0 0 0 0 0 0 0 0 0 4.7131 8.0183 -4.4946 H 0 0 0 0 0 0 0 0 0 6.1478 7.8130 -3.5072 H 0 0 0 0 0 0 0 0 0 4.6999 6.8742 -3.1564 H 0 0 0 0 0 0 0 0 0 6.9356 8.5325 -1.6497 H 0 0 0 0 0 0 0 0 0 6.5220 9.8639 -0.5950 H 0 0 0 0 0 0 0 0 0 7.7585 8.0364 0.5430 H 0 0 0 0 0 0 0 0 0 6.1647 8.2384 1.2522 H 0 0 0 0 0 0 0 0 0 6.4655 6.9149 0.1319 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 10 25 1 0 0 0 0 10 15 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 M END > 601101 > K $$$$ 602617 1016 111283D 602617 28 30 0 1 V2000 -0.0200 1.3178 0.0090 N 0 0 0 0 0 0 0 0 0 -0.0071 -0.0155 0.0021 C 0 0 0 0 0 0 0 0 0 1.2057 -0.7031 -0.0121 C 0 0 0 0 0 0 0 0 0 2.3564 -0.0294 -0.0205 N 0 0 0 0 0 0 0 0 0 2.3516 1.3036 -0.0139 C 0 0 0 0 0 0 0 0 0 1.1262 1.9983 0.0018 C 0 0 0 0 0 0 0 0 0 1.1170 3.4755 0.0137 C 0 0 0 0 0 0 0 0 0 2.3866 4.2293 -0.0940 C 0 0 0 0 0 0 0 0 0 3.6161 3.5321 -0.1171 C 0 0 0 0 0 0 0 0 0 2.3799 5.6145 -0.1737 C 0 0 0 0 0 0 0 0 0 3.5750 6.3049 -0.2761 C 0 0 0 0 0 0 0 0 0 4.7819 5.6203 -0.3015 C 0 0 0 0 0 0 0 0 0 4.8055 4.2387 -0.2212 C 0 0 0 0 0 0 0 0 0 3.6240 2.0543 -0.0263 C 0 0 0 0 0 0 0 0 0 4.6855 1.4554 0.0352 O 0 0 0 0 0 0 0 0 0 0.0596 4.0776 0.1083 O 0 0 0 0 0 0 0 0 0 -1.3003 -0.7689 0.0089 C 0 0 0 0 0 0 0 0 0 1.2232 -2.1997 -0.0195 C 0 0 0 0 0 0 0 0 0 1.4511 6.1446 -0.1549 H 0 0 0 0 0 0 0 0 0 3.5690 7.3716 -0.3370 H 0 0 0 0 0 0 0 0 0 5.6983 6.1636 -0.3824 H 0 0 0 0 0 0 0 0 0 5.7372 3.7136 -0.2407 H 0 0 0 0 0 0 0 0 0 -1.6159 -0.9501 -1.0123 H 0 0 0 0 0 0 0 0 0 -1.1718 -1.7127 0.5171 H 0 0 0 0 0 0 0 0 0 -2.0539 -0.1947 0.5319 H 0 0 0 0 0 0 0 0 0 1.2106 -2.5541 -1.0439 H 0 0 0 0 0 0 0 0 0 2.1126 -2.5561 0.4838 H 0 0 0 0 0 0 0 0 0 0.3571 -2.5788 0.5017 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > 602617 > K $$$$ 603108 1016 111283D 603108 38 39 0 1 V2000 -1.6128 1.4787 -1.1342 C 0 0 0 0 0 0 0 0 0 -1.0558 1.3618 0.1307 C 0 0 0 0 0 0 0 0 0 0.1528 0.7023 0.3212 C 0 0 0 0 0 0 0 0 0 0.7991 0.1241 -0.7729 C 0 0 0 0 0 0 0 0 0 0.2445 0.2518 -2.0431 C 0 0 0 0 0 0 0 0 0 -0.9548 0.9274 -2.2235 C 0 0 0 0 0 0 0 0 0 2.0879 -0.6439 -0.6386 C 0 0 0 0 0 0 0 0 0 2.8958 -0.5732 -1.5325 O 0 0 0 0 0 0 0 0 0 2.3890 -1.4211 0.4332 N 0 0 0 0 0 0 0 0 0 3.6473 -1.8584 0.6846 C 0 0 0 0 0 0 0 0 0 3.7784 -2.8409 1.3723 O 0 0 0 0 0 0 0 0 0 4.7451 -1.2230 0.1981 N 0 0 0 0 0 0 0 0 0 5.9908 -1.7710 0.1148 C 0 0 0 0 0 0 0 0 0 7.0873 -0.9212 0.1953 C 0 0 0 0 0 0 0 0 0 8.3806 -1.4208 0.1220 C 0 0 0 0 0 0 0 0 0 8.5875 -2.7828 -0.0431 C 0 0 0 0 0 0 0 0 0 7.4987 -3.6394 -0.1327 C 0 0 0 0 0 0 0 0 0 6.2058 -3.1356 -0.0512 C 0 0 0 0 0 0 0 0 0 10.2080 -3.4083 -0.1370 Cl 0 0 0 0 0 0 0 0 0 0.8348 -0.2674 -3.1185 F 0 0 0 0 0 0 0 0 0 0.6461 0.6647 1.5958 N 0 0 0 0 0 0 0 0 0 1.9567 1.1814 1.9022 C 0 0 0 0 0 0 0 0 0 -0.1444 0.1148 2.6684 C 0 0 0 0 0 0 0 0 0 -2.5252 1.9821 -1.2655 H 0 0 0 0 0 0 0 0 0 -1.5518 1.7806 0.9549 H 0 0 0 0 0 0 0 0 0 -1.3652 1.0206 -3.1862 H 0 0 0 0 0 0 0 0 0 1.6842 -1.6853 1.0393 H 0 0 0 0 0 0 0 0 0 4.6299 -0.3126 -0.1060 H 0 0 0 0 0 0 0 0 0 6.9365 0.1095 0.3160 H 0 0 0 0 0 0 0 0 0 9.2014 -0.7697 0.1915 H 0 0 0 0 0 0 0 0 0 7.6576 -4.6690 -0.2628 H 0 0 0 0 0 0 0 0 0 5.3892 -3.7909 -0.1192 H 0 0 0 0 0 0 0 0 0 2.5476 0.4375 2.4153 H 0 0 0 0 0 0 0 0 0 2.4840 1.4991 1.0143 H 0 0 0 0 0 0 0 0 0 1.8494 2.0429 2.5484 H 0 0 0 0 0 0 0 0 0 0.4916 -0.3988 3.3758 H 0 0 0 0 0 0 0 0 0 -0.6687 0.9084 3.1830 H 0 0 0 0 0 0 0 0 0 -0.8654 -0.5955 2.2871 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 21 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 20 1 0 0 0 0 5 6 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END > 603108 > K $$$$ 603169 1016 111283D 603169 88 94 0 2 V2000 5.4941 -3.8288 20.8816 C 0 0 0 0 0 0 0 0 0 5.9240 -4.8172 21.7669 C 0 0 0 0 0 0 0 0 0 7.2860 -5.0260 21.9312 C 0 0 0 0 0 0 0 0 0 8.1904 -4.2483 21.2109 C 0 0 0 0 0 0 0 0 0 7.7284 -3.2846 20.3470 C 0 0 0 0 0 0 0 0 0 6.3925 -3.0866 20.1920 N 0 3 0 0 0 0 0 0 0 4.2418 -3.4104 20.5323 N 0 0 0 0 0 0 0 0 0 4.3770 -2.3988 19.6116 C 0 0 0 0 0 0 0 0 0 5.7122 -2.1981 19.4006 C 0 0 0 0 0 0 0 0 0 2.9802 -3.9433 21.0451 C 0 0 0 0 0 0 0 0 0 3.2802 -1.6474 18.9557 C 0 0 0 0 0 0 0 0 0 2.1978 -1.2153 19.7195 C 0 0 0 0 0 0 0 0 0 1.1711 -0.5207 19.1153 C 0 0 0 0 0 0 0 0 0 1.2285 -0.2604 17.7461 C 0 0 0 0 0 0 0 0 0 2.3133 -0.6939 16.9825 C 0 0 0 0 0 0 0 0 0 3.3406 -1.3837 17.5888 C 0 0 0 0 0 0 0 0 0 0.1266 0.4842 17.0969 C 0 0 0 0 0 0 0 0 0 0.1852 0.7326 15.7775 C 0 0 0 0 0 0 0 0 0 -0.8846 1.4571 15.1389 C 0 0 0 0 0 0 0 0 0 -0.8419 1.7026 13.8780 N 0 0 0 0 0 0 0 0 0 -1.8626 2.3948 13.2653 N 0 0 0 0 0 0 0 0 0 -3.1289 1.9078 13.2899 C 0 0 0 0 0 0 0 0 0 -4.2110 2.5937 12.5401 C 0 0 0 0 0 0 0 0 0 -3.9242 3.7445 11.8073 C 0 0 0 0 0 0 0 0 0 -4.9352 4.3838 11.1087 C 0 0 0 0 0 0 0 0 0 -6.2307 3.8716 11.1453 C 0 0 0 0 0 0 0 0 0 -6.5175 2.7206 11.8781 C 0 0 0 0 0 0 0 0 0 -5.5057 2.0788 12.5731 C 0 0 0 0 0 0 0 0 0 -7.3133 4.5583 10.3959 C 0 0 0 0 0 0 0 0 0 -8.5794 4.0717 10.4219 N 0 0 0 0 0 0 0 0 0 -9.5678 4.6365 9.6470 N 0 0 0 0 0 0 0 0 0 -10.7653 4.1716 9.6757 C 0 0 0 0 0 0 0 0 0 -11.7977 4.7649 8.8634 C 0 0 0 0 0 0 0 0 0 -13.0454 4.2677 8.9042 C 0 0 0 0 0 0 0 0 0 -14.1008 4.8819 8.0681 C 0 0 0 0 0 0 0 0 0 -15.3973 4.3684 8.1077 C 0 0 0 0 0 0 0 0 0 -16.3802 4.9414 7.3284 C 0 0 0 0 0 0 0 0 0 -16.0660 6.0242 6.5094 C 0 0 0 0 0 0 0 0 0 -14.7713 6.5374 6.4689 C 0 0 0 0 0 0 0 0 0 -13.7889 5.9692 7.2509 C 0 0 0 0 0 0 0 0 0 -17.1120 6.7380 4.2930 N 0 3 0 0 0 0 0 0 0 -18.2636 7.3679 3.9146 C 0 0 0 0 0 0 0 0 0 -18.9733 7.6523 5.0319 N 0 0 0 0 0 0 0 0 0 -18.2740 7.2041 6.1220 C 0 0 0 0 0 0 0 0 0 -17.1181 6.6374 5.6640 C 0 0 0 0 0 0 0 0 0 -18.7532 7.7192 2.6566 C 0 0 0 0 0 0 0 0 0 -19.9781 8.3650 2.5688 C 0 0 0 0 0 0 0 0 0 -20.6893 8.6470 3.7334 C 0 0 0 0 0 0 0 0 0 -20.1744 8.2843 4.9548 C 0 0 0 0 0 0 0 0 0 -3.3733 0.9074 13.9276 O 0 0 0 0 0 0 0 0 0 -7.0681 5.5573 9.7568 O 0 0 0 0 0 0 0 0 0 -16.0611 6.2521 3.3999 C 0 0 0 0 0 0 0 0 0 5.2173 -5.4078 22.3148 H 0 0 0 0 0 0 0 0 0 7.6386 -5.7813 22.6089 H 0 0 0 0 0 0 0 0 0 9.2458 -4.3938 21.3239 H 0 0 0 0 0 0 0 0 0 8.4308 -2.6931 19.7994 H 0 0 0 0 0 0 0 0 0 6.1362 -1.4720 18.7366 H 0 0 0 0 0 0 0 0 0 2.6828 -3.3862 21.9339 H 0 0 0 0 0 0 0 0 0 2.2062 -3.8470 20.2838 H 0 0 0 0 0 0 0 0 0 3.1035 -4.9945 21.3030 H 0 0 0 0 0 0 0 0 0 2.1566 -1.4161 20.7722 H 0 0 0 0 0 0 0 0 0 0.3373 -0.1871 19.7023 H 0 0 0 0 0 0 0 0 0 2.3589 -0.4959 15.9302 H 0 0 0 0 0 0 0 0 0 4.1765 -1.7148 17.0042 H 0 0 0 0 0 0 0 0 0 -0.7087 0.8191 17.6827 H 0 0 0 0 0 0 0 0 0 1.0140 0.4020 15.1874 H 0 0 0 0 0 0 0 0 0 -1.7155 1.7889 15.7356 H 0 0 0 0 0 0 0 0 0 -1.6911 3.2407 12.8117 H 0 0 0 0 0 0 0 0 0 -2.9267 4.1386 11.7797 H 0 0 0 0 0 0 0 0 0 -4.7165 5.2700 10.5434 H 0 0 0 0 0 0 0 0 0 -7.5151 2.3271 11.9067 H 0 0 0 0 0 0 0 0 0 -5.7235 1.1898 13.1340 H 0 0 0 0 0 0 0 0 0 -8.7811 3.3126 10.9999 H 0 0 0 0 0 0 0 0 0 -11.0155 3.3356 10.3039 H 0 0 0 0 0 0 0 0 0 -11.5528 5.5969 8.2369 H 0 0 0 0 0 0 0 0 0 -13.2839 3.4325 9.5357 H 0 0 0 0 0 0 0 0 0 -15.6376 3.5340 8.7379 H 0 0 0 0 0 0 0 0 0 -17.3777 4.5485 7.3568 H 0 0 0 0 0 0 0 0 0 -14.5328 7.3710 5.8379 H 0 0 0 0 0 0 0 0 0 -12.7944 6.3680 7.2225 H 0 0 0 0 0 0 0 0 0 -18.5668 7.2792 7.1498 H 0 0 0 0 0 0 0 0 0 -18.1955 7.4964 1.7691 H 0 0 0 0 0 0 0 0 0 -20.3736 8.6449 1.6100 H 0 0 0 0 0 0 0 0 0 -21.6365 9.1454 3.6868 H 0 0 0 0 0 0 0 0 0 -20.7283 8.5052 5.8422 H 0 0 0 0 0 0 0 0 0 -15.3228 7.0382 3.2416 H 0 0 0 0 0 0 0 0 0 -15.5744 5.3849 3.8460 H 0 0 0 0 0 0 0 0 0 -16.4962 5.9679 2.4420 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 54 1 0 0 0 0 4 5 2 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 56 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 8 9 2 0 0 0 0 9 57 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 61 1 0 0 0 0 13 14 2 0 0 0 0 13 62 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 63 1 0 0 0 0 16 64 1 0 0 0 0 17 18 2 0 0 0 0 17 65 1 0 0 0 0 18 19 1 0 0 0 0 18 66 1 0 0 0 0 19 20 2 0 0 0 0 19 67 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 68 1 0 0 0 0 22 50 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 69 1 0 0 0 0 25 26 2 0 0 0 0 25 70 1 0 0 0 0 26 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 29 51 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 73 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 74 1 0 0 0 0 33 34 2 0 0 0 0 33 75 1 0 0 0 0 34 35 1 0 0 0 0 34 76 1 0 0 0 0 35 36 2 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 77 1 0 0 0 0 37 38 2 0 0 0 0 37 78 1 0 0 0 0 38 45 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 79 1 0 0 0 0 40 80 1 0 0 0 0 41 52 1 0 0 0 0 41 42 2 0 0 0 0 41 45 1 0 0 0 0 42 43 1 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 43 49 1 0 0 0 0 44 45 2 0 0 0 0 44 81 1 0 0 0 0 46 47 2 0 0 0 0 46 82 1 0 0 0 0 47 48 1 0 0 0 0 47 83 1 0 0 0 0 48 49 2 0 0 0 0 48 84 1 0 0 0 0 49 85 1 0 0 0 0 52 86 1 0 0 0 0 52 87 1 0 0 0 0 52 88 1 0 0 0 0 M CHG 2 6 1 41 1 M END > 603169 > K $$$$ 603624 1016 111283D 603624 51 53 0 1 V2000 -9.4896 7.2200 5.4171 C 0 0 0 0 0 0 0 0 0 -8.2048 7.4527 5.8932 C 0 0 0 0 0 0 0 0 0 -7.8810 8.6797 6.4576 C 0 0 0 0 0 0 0 0 0 -8.8438 9.6760 6.5539 C 0 0 0 0 0 0 0 0 0 -10.1312 9.4433 6.0849 C 0 0 0 0 0 0 0 0 0 -10.4521 8.2163 5.5196 C 0 0 0 0 0 0 0 0 0 -8.4210 11.2082 7.2643 Cl 0 0 0 0 0 0 0 0 0 -11.3536 10.6779 6.1979 Cl 0 0 0 0 0 0 0 0 0 -9.8117 6.0227 4.8513 N 0 0 0 0 0 0 0 0 0 -9.4643 5.7478 3.4763 C 0 0 0 0 0 0 0 0 0 -10.5734 6.3605 2.6161 C 0 0 0 0 0 0 0 0 0 -8.1066 6.2686 3.0010 C 0 0 0 0 0 0 0 0 0 -9.4386 4.3332 3.2353 N 0 0 0 0 0 0 0 0 0 -10.1203 3.5333 3.9145 C 0 0 0 0 0 0 0 0 0 -10.7645 3.9661 5.0282 N 0 0 0 0 0 0 0 0 0 -10.4769 5.0626 5.5607 C 0 0 0 0 0 0 0 0 0 -10.8482 5.2535 6.8490 N 0 0 0 0 0 0 0 0 0 -10.2269 2.2269 3.5598 N 0 0 0 0 0 0 0 0 0 -9.3732 1.5711 2.7315 C 0 0 0 0 0 0 0 0 0 -9.7494 0.5324 2.2478 O 0 0 0 0 0 0 0 0 0 -8.1322 2.0188 2.4292 N 0 0 0 0 0 0 0 0 0 -7.2213 1.3218 1.2541 S 0 0 0 0 0 0 0 0 0 -6.1646 2.2414 0.9696 O 0 0 0 0 0 0 0 0 0 -6.6519 0.1184 1.7712 O 0 0 0 0 0 0 0 0 0 -8.1046 0.9885 -0.2659 C 0 0 0 0 0 0 0 0 0 -7.8139 -0.1293 -1.0414 C 0 0 0 0 0 0 0 0 0 -8.5089 -0.3586 -2.2242 C 0 0 0 0 0 0 0 0 0 -9.4946 0.5293 -2.6409 C 0 0 0 0 0 0 0 0 0 -9.7897 1.6395 -1.8589 C 0 0 0 0 0 0 0 0 0 -9.0956 1.8678 -0.6785 C 0 0 0 0 0 0 0 0 0 -10.2426 0.2973 -3.9246 C 0 0 0 0 0 0 0 0 0 -7.4767 6.6990 5.8264 H 0 0 0 0 0 0 0 0 0 -6.9076 8.8552 6.8121 H 0 0 0 0 0 0 0 0 0 -11.4251 8.0397 5.1669 H 0 0 0 0 0 0 0 0 0 -10.4165 6.1212 1.5749 H 0 0 0 0 0 0 0 0 0 -11.5315 5.9688 2.9260 H 0 0 0 0 0 0 0 0 0 -10.5824 7.4344 2.7349 H 0 0 0 0 0 0 0 0 0 -7.9610 6.0028 1.9633 H 0 0 0 0 0 0 0 0 0 -8.0580 7.3434 3.0947 H 0 0 0 0 0 0 0 0 0 -7.3218 5.8165 3.5884 H 0 0 0 0 0 0 0 0 0 -11.3337 4.5562 7.3149 H 0 0 0 0 0 0 0 0 0 -10.6328 6.0750 7.3135 H 0 0 0 0 0 0 0 0 0 -10.9669 1.7193 3.9209 H 0 0 0 0 0 0 0 0 0 -7.7528 2.7653 2.9112 H 0 0 0 0 0 0 0 0 0 -7.0678 -0.8048 -0.7353 H 0 0 0 0 0 0 0 0 0 -8.2866 -1.2059 -2.8054 H 0 0 0 0 0 0 0 0 0 -10.5391 2.3120 -2.1586 H 0 0 0 0 0 0 0 0 0 -9.3193 2.7083 -0.0930 H 0 0 0 0 0 0 0 0 0 -11.1239 -0.2942 -3.7227 H 0 0 0 0 0 0 0 0 0 -10.5450 1.2401 -4.3575 H 0 0 0 0 0 0 0 0 0 -9.6206 -0.2260 -4.6361 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 34 1 0 0 0 0 9 16 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 31 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 M END > 603624 > K $$$$ 603719 1016 111283D 603719 16 17 0 1 V2000 -0.0156 1.4032 0.0381 C 0 0 0 0 0 0 0 0 0 0.0103 0.0125 0.0406 C 0 0 0 0 0 0 0 0 0 1.2191 -0.6788 0.0145 C 0 0 0 0 0 0 0 0 0 2.4286 0.0082 -0.0091 C 0 0 0 0 0 0 0 0 0 2.3806 1.3939 -0.0045 C 0 0 0 0 0 0 0 0 0 1.1890 2.0899 0.0151 C 0 0 0 0 0 0 0 0 0 1.3748 3.4380 0.0090 O 0 0 0 0 0 0 0 0 0 2.7386 3.5155 -0.0069 C 0 0 0 0 0 0 0 0 0 3.3559 2.3130 -0.0164 N 0 0 0 0 0 0 0 0 0 -1.1539 -0.6796 0.0699 O 0 0 0 0 0 0 0 0 0 3.3489 4.5558 -0.0121 O 0 0 0 0 0 0 0 0 0 -0.9271 1.9222 0.0533 H 0 0 0 0 0 0 0 0 0 1.2125 -1.7291 0.0129 H 0 0 0 0 0 0 0 0 0 3.3467 -0.5021 -0.0296 H 0 0 0 0 0 0 0 0 0 4.3125 2.1645 -0.0288 H 0 0 0 0 0 0 0 0 0 -1.4278 -0.8455 -0.8260 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 M END > 603719 > K $$$$ 604535 1016 111283D 604535 45 47 1 1 V2000 8.7619 4.1153 2.4714 C 0 0 0 0 0 0 0 0 0 8.8509 2.7612 2.7374 C 0 0 0 0 0 0 0 0 0 8.9380 1.8584 1.6934 C 0 0 0 0 0 0 0 0 0 8.9415 2.3039 0.3882 C 0 0 0 0 0 0 0 0 0 8.8572 3.6680 0.1126 C 0 0 0 0 0 0 0 0 0 8.7599 4.5652 1.1666 C 0 0 0 0 0 0 0 0 0 8.6519 5.9613 0.5891 C 0 0 0 0 0 0 0 0 0 8.3695 5.7068 -0.9070 C 0 0 2 0 0 0 0 0 0 8.8667 4.3369 -1.1194 N 0 0 0 0 0 0 0 0 0 9.2640 3.8156 -2.2971 C 0 0 0 0 0 0 0 0 0 9.0714 4.4271 -3.3267 O 0 0 0 0 0 0 0 0 0 9.9476 2.4731 -2.3345 C 0 0 2 0 0 0 0 0 0 10.3366 2.2358 -1.3444 H 0 0 0 0 0 0 0 0 0 11.1011 2.5161 -3.3388 C 0 0 0 0 0 0 0 0 0 8.9422 1.4006 -2.7581 C 0 0 0 0 0 0 0 0 0 9.6689 -0.2387 -2.5114 S 0 0 0 0 0 0 0 0 0 9.1600 -1.2318 -1.1478 C 0 0 0 0 0 0 0 0 0 8.2338 -0.8729 -0.4464 O 0 0 0 0 0 0 0 0 0 9.8591 -2.5014 -0.8565 C 0 0 0 0 0 0 0 0 0 10.9243 -2.9147 -1.6578 C 0 0 0 0 0 0 0 0 0 11.5729 -4.1005 -1.3802 C 0 0 0 0 0 0 0 0 0 11.1694 -4.8791 -0.3103 C 0 0 0 0 0 0 0 0 0 10.1139 -4.4750 0.4881 C 0 0 0 0 0 0 0 0 0 9.4604 -3.2892 0.2247 C 0 0 0 0 0 0 0 0 0 7.3004 5.7635 -1.1112 H 0 0 0 0 0 0 0 0 0 9.1282 6.6863 -1.7649 C 0 0 0 0 0 0 0 0 0 10.1347 6.3370 -2.3348 O 0 0 0 0 0 0 0 0 0 8.6858 7.9467 -1.8960 O 0 0 0 0 0 0 0 0 0 8.6892 4.8213 3.2855 H 0 0 0 0 0 0 0 0 0 8.8527 2.4094 3.7586 H 0 0 0 0 0 0 0 0 0 9.0039 0.8006 1.9009 H 0 0 0 0 0 0 0 0 0 9.0100 1.5939 -0.4227 H 0 0 0 0 0 0 0 0 0 7.8266 6.5048 1.0491 H 0 0 0 0 0 0 0 0 0 9.5889 6.5035 0.7166 H 0 0 0 0 0 0 0 0 0 11.5955 1.5450 -3.3659 H 0 0 0 0 0 0 0 0 0 10.7121 2.7534 -4.3290 H 0 0 0 0 0 0 0 0 0 11.8174 3.2802 -3.0371 H 0 0 0 0 0 0 0 0 0 8.0384 1.4916 -2.1558 H 0 0 0 0 0 0 0 0 0 8.6921 1.5325 -3.8108 H 0 0 0 0 0 0 0 0 0 11.2401 -2.3079 -2.4936 H 0 0 0 0 0 0 0 0 0 12.3972 -4.4217 -1.9997 H 0 0 0 0 0 0 0 0 0 11.6802 -5.8066 -0.0975 H 0 0 0 0 0 0 0 0 0 9.8038 -5.0875 1.3219 H 0 0 0 0 0 0 0 0 0 8.6394 -2.9729 0.8511 H 0 0 0 0 0 0 0 0 0 9.1727 8.5752 -2.4465 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 1 0 0 0 8 25 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 15 1 6 0 0 0 12 14 1 1 0 0 0 12 13 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 28 45 1 0 0 0 0 M END > 604535 > K $$$$ 605583 1016 111283D 605583 73 72 0 2 V2000 3.2468 -3.1193 -1.5790 P 0 0 0 0 0 0 0 0 0 1.8570 -3.3239 -1.1376 O 0 0 0 0 0 0 0 0 0 2.0179 -3.1151 -2.5457 O 0 5 0 0 0 0 0 0 0 4.1033 -2.8674 -2.8955 O 0 0 0 0 0 0 0 0 0 5.3880 -3.2410 -2.5748 C 0 0 0 0 0 0 0 0 0 5.4765 -3.7125 -4.0205 C 0 0 0 0 0 0 0 0 0 6.7266 -4.3067 -4.4679 N 0 3 0 0 0 0 0 0 0 7.8137 -3.3224 -4.4213 C 0 0 0 0 0 0 0 0 0 7.0735 -5.4728 -3.6522 C 0 0 0 0 0 0 0 0 0 6.5513 -4.7576 -5.8529 C 0 0 0 0 0 0 0 0 0 3.9416 -3.2827 -0.1625 O 0 0 0 0 0 0 0 0 0 3.0795 -4.0335 0.6695 C 0 0 0 0 0 0 0 0 0 4.0393 -4.8632 1.5070 C 0 0 0 0 0 0 0 0 0 3.3233 -5.7809 2.5088 C 0 0 0 0 0 0 0 0 0 2.3760 -6.7995 1.8638 C 0 0 0 0 0 0 0 0 0 3.0411 -7.7705 0.8859 C 0 0 0 0 0 0 0 0 0 4.1421 -8.6341 1.5156 C 0 0 0 0 0 0 0 0 0 3.6470 -9.5149 2.6689 C 0 0 0 0 0 0 0 0 0 10.8440 -9.8349 4.4969 C 0 0 0 0 0 0 0 0 0 10.2702 -11.2556 4.5035 C 0 0 0 0 0 0 0 0 0 10.0546 -11.7679 3.0739 C 0 0 0 0 0 0 0 0 0 9.4796 -13.1914 3.0095 C 0 0 0 0 0 0 0 0 0 8.1111 -13.3900 3.6799 C 0 0 0 0 0 0 0 0 0 7.0048 -12.5140 3.0717 C 0 0 0 0 0 0 0 0 0 5.6466 -12.7295 3.7573 C 0 0 0 0 0 0 0 0 0 4.5224 -11.8642 3.1666 C 0 0 0 0 0 0 0 0 0 4.7839 -10.3583 3.2654 C 0 0 0 0 0 0 0 0 0 6.0103 -2.3849 -2.3421 H 0 0 0 0 0 0 0 0 0 5.5190 -4.0488 -1.8617 H 0 0 0 0 0 0 0 0 0 4.6661 -4.4181 -4.1591 H 0 0 0 0 0 0 0 0 0 5.2352 -2.8597 -4.6432 H 0 0 0 0 0 0 0 0 0 7.5494 -2.4435 -4.9951 H 0 0 0 0 0 0 0 0 0 8.0116 -3.0126 -3.4042 H 0 0 0 0 0 0 0 0 0 8.7256 -3.7352 -4.8317 H 0 0 0 0 0 0 0 0 0 6.2619 -6.1892 -3.6467 H 0 0 0 0 0 0 0 0 0 7.9557 -5.9658 -4.0354 H 0 0 0 0 0 0 0 0 0 7.2778 -5.1918 -2.6290 H 0 0 0 0 0 0 0 0 0 7.4542 -5.2156 -6.2328 H 0 0 0 0 0 0 0 0 0 5.7521 -5.4848 -5.9199 H 0 0 0 0 0 0 0 0 0 6.2941 -3.9288 -6.4982 H 0 0 0 0 0 0 0 0 0 2.4678 -3.3964 1.2976 H 0 0 0 0 0 0 0 0 0 2.4472 -4.7535 0.1609 H 0 0 0 0 0 0 0 0 0 4.6506 -5.4551 0.8459 H 0 0 0 0 0 0 0 0 0 4.6857 -4.1841 2.0368 H 0 0 0 0 0 0 0 0 0 4.0531 -6.3158 3.0983 H 0 0 0 0 0 0 0 0 0 2.7492 -5.1715 3.1921 H 0 0 0 0 0 0 0 0 0 1.8962 -7.3742 2.6369 H 0 0 0 0 0 0 0 0 0 1.5728 -6.2871 1.3580 H 0 0 0 0 0 0 0 0 0 2.2817 -8.4036 0.4423 H 0 0 0 0 0 0 0 0 0 3.4719 -7.1885 0.0858 H 0 0 0 0 0 0 0 0 0 4.5457 -9.2727 0.7435 H 0 0 0 0 0 0 0 0 0 4.9398 -7.9957 1.8735 H 0 0 0 0 0 0 0 0 0 3.2530 -8.8815 3.4510 H 0 0 0 0 0 0 0 0 0 2.8443 -10.1495 2.3210 H 0 0 0 0 0 0 0 0 0 10.1437 -9.1331 4.0677 H 0 0 0 0 0 0 0 0 0 11.0554 -9.5298 5.5115 H 0 0 0 0 0 0 0 0 0 11.7684 -9.8020 3.9389 H 0 0 0 0 0 0 0 0 0 10.9573 -11.9125 5.0273 H 0 0 0 0 0 0 0 0 0 9.3264 -11.2390 5.0329 H 0 0 0 0 0 0 0 0 0 9.4002 -11.0946 2.5338 H 0 0 0 0 0 0 0 0 0 11.0166 -11.7734 2.5748 H 0 0 0 0 0 0 0 0 0 9.4000 -13.4726 1.9692 H 0 0 0 0 0 0 0 0 0 10.1868 -13.8738 3.4605 H 0 0 0 0 0 0 0 0 0 7.8338 -14.4312 3.5717 H 0 0 0 0 0 0 0 0 0 8.2110 -13.1795 4.7369 H 0 0 0 0 0 0 0 0 0 7.2935 -11.4797 3.2049 H 0 0 0 0 0 0 0 0 0 6.9079 -12.7326 2.0130 H 0 0 0 0 0 0 0 0 0 5.3562 -13.7658 3.6456 H 0 0 0 0 0 0 0 0 0 5.7287 -12.5196 4.8165 H 0 0 0 0 0 0 0 0 0 4.3591 -12.1326 2.1327 H 0 0 0 0 0 0 0 0 0 3.6099 -12.0759 3.7075 H 0 0 0 0 0 0 0 0 0 5.7054 -10.1223 2.7553 H 0 0 0 0 0 0 0 0 0 4.9060 -10.0973 4.3084 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 27 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 27 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 M CHG 2 3 -1 7 1 M END > 605583 > K $$$$ 605756 1016 111283D 605756 27 29 0 1 V2000 0.0089 1.3624 0.0078 C 0 0 0 0 0 0 0 0 0 -0.0012 -0.0266 0.0012 C 0 0 0 0 0 0 0 0 0 1.1920 -0.7387 -0.0133 C 0 0 0 0 0 0 0 0 0 2.4003 -0.0521 -0.0207 C 0 0 0 0 0 0 0 0 0 2.4151 1.3361 -0.0137 C 0 0 0 0 0 0 0 0 0 1.2181 2.0479 0.0007 C 0 0 0 0 0 0 0 0 0 1.2590 3.4368 0.0078 C 0 0 0 0 0 0 0 0 0 2.4812 4.0980 0.0000 C 0 0 0 0 0 0 0 0 0 3.6552 3.3491 -0.0146 C 0 0 0 0 0 0 0 0 0 2.5495 5.4864 0.0069 C 0 0 0 0 0 0 0 0 0 3.7856 6.1201 -0.0012 C 0 0 0 0 0 0 0 0 0 4.9582 5.3746 -0.0161 C 0 0 0 0 0 0 0 0 0 4.8884 3.9866 -0.0229 C 0 0 0 0 0 0 0 0 0 3.5961 1.9970 -0.0210 N 0 0 0 0 0 0 0 0 0 6.1626 6.0047 -0.0239 N 0 0 0 0 0 0 0 0 0 1.1709 -2.0978 -0.0203 N 0 0 0 0 0 0 0 0 0 -0.9006 1.8883 0.0181 H 0 0 0 0 0 0 0 0 0 -0.9160 -0.5422 0.0072 H 0 0 0 0 0 0 0 0 0 3.3066 -0.5813 -0.0316 H 0 0 0 0 0 0 0 0 0 0.3642 3.9880 0.0189 H 0 0 0 0 0 0 0 0 0 1.6708 6.0621 0.0180 H 0 0 0 0 0 0 0 0 0 3.8346 7.1690 0.0041 H 0 0 0 0 0 0 0 0 0 5.7686 3.4151 -0.0343 H 0 0 0 0 0 0 0 0 0 6.2102 6.9743 -0.0189 H 0 0 0 0 0 0 0 0 0 6.9873 5.4927 -0.0345 H 0 0 0 0 0 0 0 0 0 0.3264 -2.5764 -0.0148 H 0 0 0 0 0 0 0 0 0 1.9991 -2.6041 -0.0308 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M END > 605756 > K $$$$ 606532 1016 111283D 606532 22 22 0 2 V2000 0.0388 1.4643 0.2255 C 0 0 0 0 0 0 0 0 0 0.0379 0.0856 0.0639 C 0 0 0 0 0 0 0 0 0 1.2296 -0.6024 -0.1113 C 0 0 0 0 0 0 0 0 0 2.4114 0.1174 -0.2575 C 0 0 0 0 0 0 0 0 0 2.4206 1.4786 -0.0186 C 0 0 0 0 0 0 0 0 0 1.2419 2.1652 0.2413 C 0 0 0 0 0 0 0 0 0 -1.1438 2.1178 0.3700 N 0 0 0 0 0 0 0 0 0 1.2084 3.5023 0.5097 O 0 0 0 0 0 0 0 0 0 2.4338 4.2115 0.5602 C 0 0 0 0 0 0 0 0 0 3.6145 -0.3656 -0.6372 N 0 3 0 0 0 0 0 0 0 4.5966 -0.3589 0.1384 O 0 0 0 0 0 0 0 0 0 3.7242 -0.8739 -1.9962 O 0 5 0 0 0 0 0 0 0 1.1677 -1.9550 -0.1155 N 0 3 0 0 0 0 0 0 0 0.1265 -2.5620 -0.4594 O 0 0 0 0 0 0 0 0 0 2.3412 -2.6953 0.3082 O 0 5 0 0 0 0 0 0 0 -0.8722 -0.4402 0.0791 H 0 0 0 0 0 0 0 0 0 3.3415 1.9800 -0.0442 H 0 0 0 0 0 0 0 0 0 -1.9921 1.6470 0.3228 H 0 0 0 0 0 0 0 0 0 -1.1465 3.0783 0.5208 H 0 0 0 0 0 0 0 0 0 2.9150 4.1965 -0.4078 H 0 0 0 0 0 0 0 0 0 2.2325 5.2385 0.8242 H 0 0 0 0 0 0 0 0 0 3.0983 3.7930 1.3050 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 4 2 0 0 0 0 4 10 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 M CHG 4 10 1 12 -1 13 1 15 -1 M END > 606532 > K $$$$ 607316 1016 111283D 607316 110116 1 1 V2000 -26.8826 17.0919 -12.8094 C 0 0 1 0 0 0 0 0 0 -26.7112 18.2609 -11.8149 C 0 0 1 0 0 0 0 0 0 -26.7868 19.6201 -12.5534 C 0 0 1 0 0 0 0 0 0 -27.0612 19.3976 -14.0576 C 0 0 2 0 0 0 0 0 0 -28.3555 18.5726 -14.2479 C 0 0 2 0 0 0 0 0 0 -28.2425 17.2137 -13.5321 C 0 0 1 0 0 0 0 0 0 -25.8049 17.3495 -13.8401 C 0 0 0 0 0 0 0 0 0 -25.8978 18.5263 -14.4796 C 0 0 0 0 0 0 0 0 0 -28.3605 16.4919 -14.8828 C 0 0 2 0 0 0 0 0 0 -28.5117 17.8432 -15.5901 C 0 0 1 0 0 0 0 0 0 -29.8795 17.7427 -16.1960 C 0 0 0 0 0 0 0 0 0 -30.3905 18.6252 -16.8408 O 0 0 0 0 0 0 0 0 0 -30.4702 16.5588 -15.9453 N 0 0 0 0 0 0 0 0 0 -29.6445 15.7926 -15.2099 C 0 0 0 0 0 0 0 0 0 -29.9085 14.6687 -14.8592 O 0 0 0 0 0 0 0 0 0 -27.7491 18.4140 -10.7433 C 0 0 0 0 0 0 0 0 0 -28.0657 17.5310 -9.9844 O 0 0 0 0 0 0 0 0 0 -28.2903 19.6477 -10.7209 N 0 0 0 0 0 0 0 0 0 -27.8127 20.3668 -11.7550 C 0 0 0 0 0 0 0 0 0 -28.1748 21.4903 -12.0057 O 0 0 0 0 0 0 0 0 0 -31.7734 16.1803 -16.3933 C 0 0 0 0 0 0 0 0 0 -32.7170 17.0449 -15.7967 O 0 0 0 0 0 0 0 0 0 -34.8566 16.3614 -14.7712 C 0 0 1 0 0 0 0 0 0 -35.3316 16.2104 -16.1252 N 0 0 0 0 0 0 0 0 0 -35.3916 15.2570 -13.8419 C 0 0 0 0 0 0 0 0 0 -29.2211 20.1178 -9.7405 C 0 0 0 0 0 0 0 0 0 -28.4221 20.2248 -8.5830 O 0 0 0 0 0 0 0 0 0 -30.3460 21.3110 -7.2774 C 0 0 1 0 0 0 0 0 0 -30.7605 20.7271 -6.0261 N 0 0 0 0 0 0 0 0 0 -30.3868 22.8453 -7.2185 C 0 0 0 0 0 0 0 0 0 -31.4688 19.5781 -5.9676 C 0 0 0 0 0 0 0 0 0 -31.8113 19.1703 -4.8850 O 0 0 0 0 0 0 0 0 0 -31.7727 18.9206 -7.1168 O 0 0 0 0 0 0 0 0 0 -32.0323 17.5299 -7.0163 C 0 0 0 0 0 0 0 0 0 -33.5256 17.2796 -6.7932 C 0 0 0 0 0 0 0 0 0 -31.6322 17.0087 -8.3970 C 0 0 0 0 0 0 0 0 0 -31.2060 16.7615 -5.9724 C 0 0 0 0 0 0 0 0 0 -34.0485 24.8805 -8.1841 C 0 0 0 0 0 0 0 0 0 -32.8204 25.5045 -8.3524 C 0 0 0 0 0 0 0 0 0 -31.6520 24.8291 -8.0260 C 0 0 0 0 0 0 0 0 0 -31.6949 23.5273 -7.5362 C 0 0 0 0 0 0 0 0 0 -32.9303 22.9121 -7.3582 C 0 0 0 0 0 0 0 0 0 -34.1016 23.5854 -7.6855 C 0 0 0 0 0 0 0 0 0 -36.3723 15.7955 -12.8342 C 0 0 0 0 0 0 0 0 0 -35.9233 16.6182 -11.8069 C 0 0 0 0 0 0 0 0 0 -36.8175 17.1226 -10.8715 C 0 0 0 0 0 0 0 0 0 -38.1667 16.8066 -10.9603 C 0 0 0 0 0 0 0 0 0 -38.6193 15.9843 -11.9838 C 0 0 0 0 0 0 0 0 0 -37.7244 15.4820 -12.9201 C 0 0 0 0 0 0 0 0 0 -35.0841 15.0974 -16.8543 C 0 0 0 0 0 0 0 0 0 -35.5376 15.0279 -17.9701 O 0 0 0 0 0 0 0 0 0 -34.3369 14.1010 -16.3078 O 0 0 0 0 0 0 0 0 0 -34.1842 12.9108 -17.0604 C 0 0 0 0 0 0 0 0 0 -35.5211 12.2025 -17.3123 C 0 0 0 0 0 0 0 0 0 -33.4253 13.1419 -18.3721 C 0 0 0 0 0 0 0 0 0 -33.3284 12.0121 -16.1656 C 0 0 0 0 0 0 0 0 0 -33.3544 16.4529 -14.7545 C 0 0 0 0 0 0 0 0 0 -32.7116 16.0114 -13.8313 O 0 0 0 0 0 0 0 0 0 -28.9097 20.8963 -7.5017 C 0 0 0 0 0 0 0 0 0 -28.1112 21.1841 -6.6424 O 0 0 0 0 0 0 0 0 0 -26.7697 16.1292 -12.3313 H 0 0 0 0 0 0 0 0 0 -25.7539 18.1711 -11.3219 H 0 0 0 0 0 0 0 0 0 -25.8511 20.1489 -12.4400 H 0 0 0 0 0 0 0 0 0 -27.0938 20.3267 -14.6090 H 0 0 0 0 0 0 0 0 0 -29.2468 19.1155 -13.9632 H 0 0 0 0 0 0 0 0 0 -29.0872 17.0238 -12.8833 H 0 0 0 0 0 0 0 0 0 -25.0406 16.6567 -14.0401 H 0 0 0 0 0 0 0 0 0 -25.2126 18.8219 -15.2195 H 0 0 0 0 0 0 0 0 0 -27.4874 15.9391 -15.1959 H 0 0 0 0 0 0 0 0 0 -27.7400 18.0405 -16.3192 H 0 0 0 0 0 0 0 0 0 -31.8279 16.3211 -17.4641 H 0 0 0 0 0 0 0 0 0 -31.9646 15.1318 -16.1922 H 0 0 0 0 0 0 0 0 0 -35.1924 17.3224 -14.4080 H 0 0 0 0 0 0 0 0 0 -35.8427 16.9203 -16.5417 H 0 0 0 0 0 0 0 0 0 -35.8664 14.4838 -14.4283 H 0 0 0 0 0 0 0 0 0 -34.5828 14.7906 -13.2977 H 0 0 0 0 0 0 0 0 0 -29.6251 21.0772 -10.0398 H 0 0 0 0 0 0 0 0 0 -30.0226 19.4049 -9.5982 H 0 0 0 0 0 0 0 0 0 -30.9641 20.9664 -8.0931 H 0 0 0 0 0 0 0 0 0 -30.5255 21.1527 -5.1874 H 0 0 0 0 0 0 0 0 0 -30.0635 23.1672 -6.2387 H 0 0 0 0 0 0 0 0 0 -29.6694 23.2210 -7.9350 H 0 0 0 0 0 0 0 0 0 -33.7294 16.2180 -6.8019 H 0 0 0 0 0 0 0 0 0 -33.8285 17.6887 -5.8406 H 0 0 0 0 0 0 0 0 0 -34.0991 17.7540 -7.5760 H 0 0 0 0 0 0 0 0 0 -32.2261 17.4940 -9.1575 H 0 0 0 0 0 0 0 0 0 -30.5902 17.2339 -8.5738 H 0 0 0 0 0 0 0 0 0 -31.7788 15.9400 -8.4594 H 0 0 0 0 0 0 0 0 0 -30.1659 17.0417 -6.0519 H 0 0 0 0 0 0 0 0 0 -31.5533 16.9809 -4.9735 H 0 0 0 0 0 0 0 0 0 -31.2996 15.6965 -6.1278 H 0 0 0 0 0 0 0 0 0 -34.9340 25.3879 -8.4345 H 0 0 0 0 0 0 0 0 0 -32.7742 26.4859 -8.7252 H 0 0 0 0 0 0 0 0 0 -30.7280 25.3127 -8.1551 H 0 0 0 0 0 0 0 0 0 -32.9894 21.9351 -6.9777 H 0 0 0 0 0 0 0 0 0 -35.0322 23.1156 -7.5557 H 0 0 0 0 0 0 0 0 0 -34.9032 16.8598 -11.7331 H 0 0 0 0 0 0 0 0 0 -36.4734 17.7444 -10.0978 H 0 0 0 0 0 0 0 0 0 -38.8438 17.1876 -10.2532 H 0 0 0 0 0 0 0 0 0 -39.6397 15.7438 -12.0504 H 0 0 0 0 0 0 0 0 0 -38.0759 14.8615 -13.6918 H 0 0 0 0 0 0 0 0 0 -36.0239 12.0271 -16.3724 H 0 0 0 0 0 0 0 0 0 -36.1592 12.8070 -17.9391 H 0 0 0 0 0 0 0 0 0 -35.3543 11.2551 -17.8047 H 0 0 0 0 0 0 0 0 0 -34.0149 13.7358 -19.0540 H 0 0 0 0 0 0 0 0 0 -32.4992 13.6591 -18.1695 H 0 0 0 0 0 0 0 0 0 -33.2045 12.1957 -18.8451 H 0 0 0 0 0 0 0 0 0 -33.8422 11.8316 -15.2326 H 0 0 0 0 0 0 0 0 0 -33.1351 11.0660 -16.6511 H 0 0 0 0 0 0 0 0 0 -32.3883 12.4999 -15.9526 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 6 0 0 0 1 61 1 1 0 0 0 2 16 1 1 0 0 0 2 3 1 6 0 0 0 2 62 1 0 0 0 0 3 19 1 1 0 0 0 3 4 1 6 0 0 0 3 63 1 0 0 0 0 4 5 1 1 0 0 0 4 8 1 0 0 0 0 4 64 1 6 0 0 0 5 10 1 6 0 0 0 5 6 1 1 0 0 0 5 65 1 0 0 0 0 6 9 1 6 0 0 0 6 66 1 1 0 0 0 7 8 2 0 0 0 0 7 67 1 0 0 0 0 8 68 1 0 0 0 0 9 14 1 1 0 0 0 9 10 1 6 0 0 0 9 69 1 0 0 0 0 10 11 1 1 0 0 0 10 70 1 6 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 21 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 26 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 1 0 0 0 23 25 1 6 0 0 0 23 73 1 0 0 0 0 24 50 1 0 0 0 0 24 74 1 0 0 0 0 25 44 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 27 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 1 0 0 0 28 59 1 0 0 0 0 28 30 1 0 0 0 0 28 79 1 6 0 0 0 29 31 1 0 0 0 0 29 80 1 0 0 0 0 30 41 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 31 33 1 0 0 0 0 31 32 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 39 1 0 0 0 0 38 43 2 0 0 0 0 38 92 1 0 0 0 0 39 40 2 0 0 0 0 39 93 1 0 0 0 0 40 41 1 0 0 0 0 40 94 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 42 95 1 0 0 0 0 43 96 1 0 0 0 0 44 45 2 0 0 0 0 44 49 1 0 0 0 0 45 46 1 0 0 0 0 45 97 1 0 0 0 0 46 47 2 0 0 0 0 46 98 1 0 0 0 0 47 48 1 0 0 0 0 47 99 1 0 0 0 0 48 49 2 0 0 0 0 48100 1 0 0 0 0 49101 1 0 0 0 0 50 52 1 0 0 0 0 50 51 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 54102 1 0 0 0 0 54103 1 0 0 0 0 54104 1 0 0 0 0 55105 1 0 0 0 0 55106 1 0 0 0 0 55107 1 0 0 0 0 56108 1 0 0 0 0 56109 1 0 0 0 0 56110 1 0 0 0 0 57 58 2 0 0 0 0 59 60 2 0 0 0 0 M END > 607316 > K $$$$ 607347 1016 111283D 607347 22 22 0 1 V2000 3.0247 -4.1123 -2.8734 C 0 0 0 0 0 0 0 0 0 4.2912 -3.5499 -2.7902 C 0 0 0 0 0 0 0 0 0 4.5330 -2.5056 -1.9069 C 0 0 0 0 0 0 0 0 0 3.5085 -2.0180 -1.1029 C 0 0 0 0 0 0 0 0 0 2.2431 -2.5849 -1.1888 C 0 0 0 0 0 0 0 0 0 1.9997 -3.6294 -2.0714 C 0 0 0 0 0 0 0 0 0 2.7949 -5.1114 -3.7198 F 0 0 0 0 0 0 0 0 0 3.7509 -0.6758 0.0534 S 0 0 0 0 0 0 0 0 0 5.4540 0.8242 -1.4689 C 0 0 0 0 0 0 0 0 0 5.4220 0.0089 -0.1754 C 0 0 0 0 0 0 0 0 0 7.1404 1.3266 -1.8536 Cl 0 0 0 0 0 0 0 0 0 5.7750 0.8775 1.0317 C 0 0 0 0 0 0 0 0 0 5.8525 -0.1373 2.5173 Cl 0 0 0 0 0 0 0 0 0 5.0663 -3.9161 -3.3967 H 0 0 0 0 0 0 0 0 0 5.4955 -2.0933 -1.8560 H 0 0 0 0 0 0 0 0 0 1.4660 -2.2211 -0.5829 H 0 0 0 0 0 0 0 0 0 1.0417 -4.0551 -2.1336 H 0 0 0 0 0 0 0 0 0 5.0800 0.2279 -2.2877 H 0 0 0 0 0 0 0 0 0 4.8308 1.7014 -1.3690 H 0 0 0 0 0 0 0 0 0 6.1394 -0.7961 -0.2329 H 0 0 0 0 0 0 0 0 0 6.7385 1.3439 0.8858 H 0 0 0 0 0 0 0 0 0 5.0269 1.6456 1.1654 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > 607347 > K $$$$ 610744 1016 111283D 610744 31 33 0 2 V2000 0.2843 1.4262 -0.6218 C 0 0 0 0 0 0 0 0 0 1.5541 1.6063 -0.1052 C 0 0 0 0 0 0 0 0 0 1.8951 0.4900 0.5604 N 0 0 0 0 0 0 0 0 0 0.8535 -0.3573 0.4500 C 0 0 0 0 0 0 0 0 0 -0.1486 0.1970 -0.2723 N 0 0 0 0 0 0 0 0 0 -1.3580 -0.3711 -0.5871 C 0 0 0 0 0 0 0 0 0 -2.2766 0.2971 -1.3941 C 0 0 0 0 0 0 0 0 0 -3.5017 -0.2743 -1.7131 C 0 0 0 0 0 0 0 0 0 -3.8287 -1.5323 -1.2286 C 0 0 0 0 0 0 0 0 0 -2.9254 -2.2123 -0.4249 C 0 0 0 0 0 0 0 0 0 -1.7033 -1.6332 -0.1088 C 0 0 0 0 0 0 0 0 0 -5.3613 -2.2535 -1.6258 Cl 0 0 0 0 0 0 0 0 0 2.4271 2.8227 -0.2445 C 0 0 0 0 0 0 0 0 0 2.0016 3.9422 -0.9520 C 0 0 0 0 0 0 0 0 0 2.8291 5.0517 -1.0656 C 0 0 0 0 0 0 0 0 0 4.0854 5.0510 -0.4741 C 0 0 0 0 0 0 0 0 0 4.5129 3.9349 0.2338 C 0 0 0 0 0 0 0 0 0 3.6853 2.8251 0.3474 C 0 0 0 0 0 0 0 0 0 4.8701 6.1495 -0.6034 N 0 3 0 0 0 0 0 0 0 6.0095 6.1977 -0.0896 O 0 0 0 0 0 0 0 0 0 4.3630 7.2897 -1.3591 O 0 5 0 0 0 0 0 0 0 -0.2412 2.1357 -1.1878 H 0 0 0 0 0 0 0 0 0 0.8443 -1.3170 0.8770 H 0 0 0 0 0 0 0 0 0 -2.0560 1.2480 -1.7763 H 0 0 0 0 0 0 0 0 0 -4.1827 0.2447 -2.3215 H 0 0 0 0 0 0 0 0 0 -3.1671 -3.1655 -0.0559 H 0 0 0 0 0 0 0 0 0 -1.0415 -2.1693 0.5019 H 0 0 0 0 0 0 0 0 0 1.0545 3.9598 -1.4055 H 0 0 0 0 0 0 0 0 0 2.5087 5.8984 -1.6002 H 0 0 0 0 0 0 0 0 0 5.4619 3.9290 0.6835 H 0 0 0 0 0 0 0 0 0 4.0143 1.9832 0.8845 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 M CHG 2 19 1 21 -1 M END > 610744 > K $$$$ 611750 1016 111283D 611750 33 33 1 1 V2000 6.7249 -2.5735 -3.8782 C 0 0 0 0 0 0 0 0 0 6.7493 -2.5337 -2.4889 C 0 0 0 0 0 0 0 0 0 7.7184 -3.2335 -1.7755 C 0 0 0 0 0 0 0 0 0 8.6575 -3.9842 -2.4736 C 0 0 0 0 0 0 0 0 0 8.6451 -4.0030 -3.8633 C 0 0 0 0 0 0 0 0 0 7.6811 -3.2997 -4.5780 C 0 0 0 0 0 0 0 0 0 5.6613 -1.8253 -4.6306 C 0 0 0 0 0 0 0 0 0 7.6055 -3.2733 -5.9420 O 0 0 0 0 0 0 0 0 0 8.5620 -3.9974 -6.6918 C 0 0 0 0 0 0 0 0 0 7.8208 -3.2401 -0.4125 O 0 0 0 0 0 0 0 0 0 6.8466 -2.5532 0.3493 C 0 0 0 0 0 0 0 0 0 9.6915 -4.7745 -1.7124 C 0 0 1 0 0 0 0 0 0 9.8654 -6.0669 -2.2580 O 0 0 0 0 0 0 0 0 0 11.0286 -4.0315 -1.6599 C 0 0 0 0 0 0 0 0 0 10.9245 -2.6800 -0.9530 C 0 0 0 0 0 0 0 0 0 12.6995 -1.8366 -0.8806 Br 0 0 0 0 0 0 0 0 0 6.0256 -1.9688 -1.9814 H 0 0 0 0 0 0 0 0 0 9.3721 -4.5558 -4.3760 H 0 0 0 0 0 0 0 0 0 6.0092 -0.8214 -4.8250 H 0 0 0 0 0 0 0 0 0 5.4536 -2.3141 -5.5719 H 0 0 0 0 0 0 0 0 0 4.7497 -1.7840 -4.0527 H 0 0 0 0 0 0 0 0 0 8.4968 -5.0544 -6.4741 H 0 0 0 0 0 0 0 0 0 8.3582 -3.8514 -7.7422 H 0 0 0 0 0 0 0 0 0 9.5609 -3.6395 -6.4851 H 0 0 0 0 0 0 0 0 0 5.8547 -2.9235 0.1303 H 0 0 0 0 0 0 0 0 0 7.0470 -2.7188 1.3981 H 0 0 0 0 0 0 0 0 0 6.8958 -1.4915 0.1538 H 0 0 0 0 0 0 0 0 0 9.3469 -4.9172 -0.6966 H 0 0 0 0 0 0 0 0 0 10.2770 -6.0250 -3.1136 H 0 0 0 0 0 0 0 0 0 11.7361 -4.6477 -1.1250 H 0 0 0 0 0 0 0 0 0 11.3946 -3.8787 -2.6650 H 0 0 0 0 0 0 0 0 0 10.2520 -2.0277 -1.4910 H 0 0 0 0 0 0 0 0 0 10.5554 -2.8174 0.0532 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 10 1 0 0 0 0 3 4 2 0 0 0 0 4 12 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 1 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 M END > 611750 > K $$$$ 613009 1016 111283D 613009 92 95 1 1 V2000 1.9390 -5.2296 -1.2539 C 0 0 0 0 0 0 0 0 0 0.8681 -5.8544 -0.6248 C 0 0 0 0 0 0 0 0 0 1.0844 -7.0242 0.0952 C 0 0 0 0 0 0 0 0 0 2.3581 -7.5715 0.1690 C 0 0 0 0 0 0 0 0 0 3.4282 -6.9477 -0.4622 C 0 0 0 0 0 0 0 0 0 3.2132 -5.7748 -1.1716 C 0 0 0 0 0 0 0 0 0 4.6905 -7.4470 -0.4107 O 0 0 0 0 0 0 0 0 0 -0.5150 -5.2620 -0.7280 C 0 0 1 0 0 0 0 0 0 -1.3534 -6.2567 -1.5430 C 0 0 0 0 0 0 0 0 0 -2.6841 -5.7271 -1.9720 C 0 0 0 0 0 0 0 0 0 -2.9519 -4.5606 -1.8091 O 0 0 0 0 0 0 0 0 0 -3.5738 -6.5828 -2.5464 O 0 0 0 0 0 0 0 0 0 -4.9158 -6.1350 -2.5306 C 0 0 1 0 0 0 0 0 0 -5.3115 -5.7135 -3.9430 C 0 0 0 0 0 0 0 0 0 -5.7683 -7.2972 -2.0101 C 0 0 0 0 0 0 0 0 0 -7.1097 -6.8449 -1.4194 C 0 0 1 0 0 0 0 0 0 -7.9856 -8.0530 -1.0827 C 0 0 0 0 0 0 0 0 0 -6.8574 -6.0557 -0.1561 C 0 0 0 0 0 0 0 0 0 -7.1444 -4.7512 -0.0116 C 0 0 0 0 0 0 0 0 0 -6.8523 -4.0603 1.2980 C 0 0 0 0 0 0 0 0 0 -5.6450 -3.1146 1.2108 C 0 0 1 0 0 0 0 0 0 -3.6496 -2.8984 3.7854 C 0 0 1 0 0 0 0 0 0 -5.6462 -2.1789 2.3974 C 0 0 0 0 0 0 0 0 0 -4.7773 -2.0649 3.4426 N 0 0 0 0 0 0 0 0 0 -7.7551 -3.9443 -1.1256 C 0 0 0 0 0 0 0 0 0 -4.3591 -3.8694 0.8748 C 0 0 0 0 0 0 0 0 0 -6.5643 -1.3965 2.4353 O 0 0 0 0 0 0 0 0 0 -2.3711 -2.1083 3.6282 C 0 0 0 0 0 0 0 0 0 -2.3951 -0.9636 4.0134 O 0 0 0 0 0 0 0 0 0 -1.1951 -2.5647 3.0919 N 0 0 0 0 0 0 0 0 0 -0.2178 -1.5666 2.7099 C 0 0 0 0 0 0 0 0 0 -0.8794 -3.9708 2.8967 C 0 0 1 0 0 0 0 0 0 -0.3377 -4.2814 1.5171 C 0 0 0 0 0 0 0 0 0 0.7846 -3.9302 1.2423 O 0 0 0 0 0 0 0 0 0 -1.0670 -4.9427 0.5694 N 0 0 0 0 0 0 0 0 0 0.5768 -5.7587 4.0222 C 0 0 0 0 0 0 0 0 0 1.8050 -6.2358 3.5957 C 0 0 0 0 0 0 0 0 0 1.8331 -7.6017 3.8041 C 0 0 0 0 0 0 0 0 0 0.6242 -7.9871 4.3416 N 0 0 0 0 0 0 0 0 0 -0.1510 -6.8499 4.4723 C 0 0 0 0 0 0 0 0 0 2.8944 -5.5761 3.0440 C 0 0 0 0 0 0 0 0 0 4.0209 -6.3255 2.7197 C 0 0 0 0 0 0 0 0 0 4.0514 -7.7004 2.9419 C 0 0 0 0 0 0 0 0 0 2.9518 -8.3567 3.4862 C 0 0 0 0 0 0 0 0 0 -1.9224 -6.8028 5.1586 Br 0 0 0 0 0 0 0 0 0 -3.7972 -3.3198 5.2462 C 0 0 0 0 0 0 0 0 0 0.1206 -4.3274 4.0052 C 0 0 0 0 0 0 0 0 0 1.7898 -4.3413 -1.7948 H 0 0 0 0 0 0 0 0 0 0.2858 -7.4992 0.5855 H 0 0 0 0 0 0 0 0 0 2.5118 -8.4600 0.7048 H 0 0 0 0 0 0 0 0 0 4.0209 -5.3016 -1.6465 H 0 0 0 0 0 0 0 0 0 4.7099 -8.2516 0.0942 H 0 0 0 0 0 0 0 0 0 -0.4607 -4.3405 -1.2930 H 0 0 0 0 0 0 0 0 0 -0.8231 -6.5217 -2.4459 H 0 0 0 0 0 0 0 0 0 -1.5226 -7.1528 -0.9652 H 0 0 0 0 0 0 0 0 0 -5.0559 -5.2873 -1.8765 H 0 0 0 0 0 0 0 0 0 -4.6692 -4.9063 -4.2628 H 0 0 0 0 0 0 0 0 0 -5.1933 -6.5471 -4.6197 H 0 0 0 0 0 0 0 0 0 -6.3382 -5.3786 -3.9603 H 0 0 0 0 0 0 0 0 0 -5.9313 -8.0025 -2.8128 H 0 0 0 0 0 0 0 0 0 -5.2110 -7.8032 -1.2343 H 0 0 0 0 0 0 0 0 0 -7.6393 -6.2631 -2.1591 H 0 0 0 0 0 0 0 0 0 -8.9290 -7.7180 -0.6756 H 0 0 0 0 0 0 0 0 0 -8.1801 -8.6258 -1.9782 H 0 0 0 0 0 0 0 0 0 -7.4943 -8.6875 -0.3589 H 0 0 0 0 0 0 0 0 0 -6.4288 -6.5655 0.6572 H 0 0 0 0 0 0 0 0 0 -7.7303 -3.4876 1.5635 H 0 0 0 0 0 0 0 0 0 -6.6837 -4.7834 2.0838 H 0 0 0 0 0 0 0 0 0 -5.8179 -2.4540 0.3733 H 0 0 0 0 0 0 0 0 0 -3.6227 -3.7993 3.2078 H 0 0 0 0 0 0 0 0 0 -4.9523 -1.3111 4.0303 H 0 0 0 0 0 0 0 0 0 -8.7085 -4.3701 -1.4033 H 0 0 0 0 0 0 0 0 0 -7.9153 -2.9239 -0.8093 H 0 0 0 0 0 0 0 0 0 -7.0975 -3.9417 -1.9823 H 0 0 0 0 0 0 0 0 0 -3.5053 -3.2110 0.9440 H 0 0 0 0 0 0 0 0 0 -4.2363 -4.7270 1.5189 H 0 0 0 0 0 0 0 0 0 -4.4276 -4.2320 -0.1362 H 0 0 0 0 0 0 0 0 0 -0.6359 -0.5693 2.7102 H 0 0 0 0 0 0 0 0 0 0.6156 -1.5776 3.3965 H 0 0 0 0 0 0 0 0 0 0.1494 -1.7508 1.7108 H 0 0 0 0 0 0 0 0 0 -1.7409 -4.6033 3.0343 H 0 0 0 0 0 0 0 0 0 -1.9786 -5.2002 0.7716 H 0 0 0 0 0 0 0 0 0 0.3642 -8.8898 4.5846 H 0 0 0 0 0 0 0 0 0 2.8731 -4.5399 2.8740 H 0 0 0 0 0 0 0 0 0 4.8585 -5.8482 2.3015 H 0 0 0 0 0 0 0 0 0 4.9137 -8.2468 2.6947 H 0 0 0 0 0 0 0 0 0 2.9657 -9.3931 3.6528 H 0 0 0 0 0 0 0 0 0 -4.7166 -3.8736 5.3694 H 0 0 0 0 0 0 0 0 0 -2.9660 -3.9449 5.5376 H 0 0 0 0 0 0 0 0 0 -3.8239 -2.4470 5.8830 H 0 0 0 0 0 0 0 0 0 0.9920 -3.6972 3.9130 H 0 0 0 0 0 0 0 0 0 -0.3406 -4.1122 4.9582 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 48 1 0 0 0 0 2 8 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 49 1 0 0 0 0 4 5 2 0 0 0 0 4 50 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 51 1 0 0 0 0 7 52 1 0 0 0 0 8 35 1 0 0 0 0 8 9 1 6 0 0 0 8 53 1 1 0 0 0 9 10 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 6 0 0 0 13 14 1 0 0 0 0 13 56 1 1 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 18 1 1 0 0 0 16 17 1 6 0 0 0 16 62 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 19 2 0 0 0 0 18 66 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 67 1 0 0 0 0 20 68 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 6 0 0 0 21 69 1 1 0 0 0 22 24 1 0 0 0 0 22 28 1 1 0 0 0 22 46 1 0 0 0 0 22 70 1 6 0 0 0 23 27 2 0 0 0 0 23 24 1 0 0 0 0 24 71 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 32 1 0 0 0 0 30 31 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 33 1 0 0 0 0 32 47 1 1 0 0 0 32 81 1 6 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 82 1 0 0 0 0 36 47 1 0 0 0 0 36 40 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 38 44 1 0 0 0 0 39 40 1 0 0 0 0 39 83 1 0 0 0 0 40 45 1 0 0 0 0 41 42 2 0 0 0 0 41 84 1 0 0 0 0 42 43 1 0 0 0 0 42 85 1 0 0 0 0 43 44 2 0 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 M END > 613009 > K $$$$ 613729 1016 111283D 613729 43 44 0 1 V2000 8.8610 3.0483 -1.5938 C 0 0 0 0 0 0 0 0 0 10.1906 2.8970 -1.9765 C 0 0 0 0 0 0 0 0 0 10.5319 3.0325 -3.3205 C 0 0 0 0 0 0 0 0 0 9.5546 3.2766 -4.2819 C 0 0 0 0 0 0 0 0 0 8.2327 3.4227 -3.8745 C 0 0 0 0 0 0 0 0 0 7.8771 3.3229 -2.5360 C 0 0 0 0 0 0 0 0 0 6.4260 3.5235 -2.1860 C 0 0 0 0 0 0 0 0 0 5.9307 3.4636 -0.9402 C 0 0 0 0 0 0 0 0 0 4.4754 3.7111 -0.6302 C 0 0 0 0 0 0 0 0 0 4.0399 3.5712 0.6822 C 0 0 0 0 0 0 0 0 0 2.7103 3.7995 1.0133 C 0 0 0 0 0 0 0 0 0 1.7882 4.1681 0.0372 C 0 0 0 0 0 0 0 0 0 2.2221 4.3003 -1.2791 C 0 0 0 0 0 0 0 0 0 3.5513 4.0756 -1.6043 C 0 0 0 0 0 0 0 0 0 1.3864 4.6484 -2.2940 O 0 0 0 0 0 0 0 0 0 0.4660 4.4165 0.2826 O 0 0 0 0 0 0 0 0 0 -0.0748 4.0317 1.5311 C 0 0 0 0 0 0 0 0 0 11.1842 2.6136 -1.0790 O 0 0 0 0 0 0 0 0 0 10.9905 2.9872 0.2729 C 0 0 0 0 0 0 0 0 0 11.8366 2.9277 -3.7017 O 0 0 0 0 0 0 0 0 0 12.2173 1.5866 -3.9255 C 0 0 0 0 0 0 0 0 0 8.9480 3.2634 -6.5997 C 0 0 0 0 0 0 0 0 0 9.9381 3.3653 -5.5930 O 0 0 0 0 0 0 0 0 0 8.6041 2.9528 -0.5830 H 0 0 0 0 0 0 0 0 0 7.4859 3.6138 -4.5863 H 0 0 0 0 0 0 0 0 0 5.7745 3.7238 -2.9820 H 0 0 0 0 0 0 0 0 0 6.5692 3.2375 -0.1391 H 0 0 0 0 0 0 0 0 0 4.7180 3.2911 1.4347 H 0 0 0 0 0 0 0 0 0 2.4098 3.6910 2.0124 H 0 0 0 0 0 0 0 0 0 3.8327 4.1909 -2.6064 H 0 0 0 0 0 0 0 0 0 0.5052 4.7644 -1.9511 H 0 0 0 0 0 0 0 0 0 -1.1471 4.1573 1.4934 H 0 0 0 0 0 0 0 0 0 0.1385 2.9925 1.7401 H 0 0 0 0 0 0 0 0 0 0.3180 4.6562 2.3203 H 0 0 0 0 0 0 0 0 0 10.3049 2.3064 0.7559 H 0 0 0 0 0 0 0 0 0 11.9365 2.9385 0.7907 H 0 0 0 0 0 0 0 0 0 10.6203 4.0008 0.3490 H 0 0 0 0 0 0 0 0 0 13.2574 1.5684 -4.2158 H 0 0 0 0 0 0 0 0 0 12.0995 0.9999 -3.0251 H 0 0 0 0 0 0 0 0 0 11.6308 1.1539 -4.7241 H 0 0 0 0 0 0 0 0 0 8.3242 2.3939 -6.4437 H 0 0 0 0 0 0 0 0 0 8.3369 4.1542 -6.6198 H 0 0 0 0 0 0 0 0 0 9.4368 3.1614 -7.5573 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 3 1 0 0 0 0 3 20 1 0 0 0 0 3 4 2 0 0 0 0 4 23 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 14 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M END > 613729 > K $$$$ 614826 1016 111283D 614826 46 48 0 1 V2000 6.8898 -4.1070 0.9691 N 0 0 0 0 0 0 0 0 0 6.8290 -5.3648 1.4704 C 0 0 0 0 0 0 0 0 0 5.6099 -6.0257 1.5330 C 0 0 0 0 0 0 0 0 0 4.4679 -5.3831 1.0765 C 0 0 0 0 0 0 0 0 0 4.5576 -4.0977 0.5618 C 0 0 0 0 0 0 0 0 0 5.7909 -3.4594 0.5085 C 0 0 0 0 0 0 0 0 0 5.8699 -2.0645 -0.0605 C 0 0 0 0 0 0 0 0 0 4.5441 0.0539 0.0177 C 0 0 0 0 0 0 0 0 0 3.7843 1.0043 0.6873 C 0 0 0 0 0 0 0 0 0 3.5030 0.8541 2.0384 C 0 0 0 0 0 0 0 0 0 3.9911 -0.2632 2.7098 C 0 0 0 0 0 0 0 0 0 4.7522 -1.2131 2.0447 C 0 0 0 0 0 0 0 0 0 5.0362 -1.0579 0.6922 C 0 0 0 0 0 0 0 0 0 7.8077 -1.2520 -1.4290 C 0 0 0 0 0 0 0 0 0 7.2590 -1.4873 -0.1737 C 0 0 0 0 0 0 0 0 0 8.0032 -1.1788 0.9602 C 0 0 0 0 0 0 0 0 0 9.2594 -0.5993 0.8369 C 0 0 0 0 0 0 0 0 0 9.7956 -0.3309 -0.4152 C 0 0 0 0 0 0 0 0 0 9.0639 -0.6732 -1.5488 C 0 0 0 0 0 0 0 0 0 2.7615 1.8131 2.6624 O 0 0 0 0 0 0 0 0 0 11.0205 0.2669 -0.4590 O 0 0 0 0 0 0 0 0 0 1.8650 1.3515 3.5777 C 0 0 0 0 0 0 0 0 0 1.5283 0.1914 3.6050 O 0 0 0 0 0 0 0 0 0 1.2705 2.2861 4.5777 C 0 0 0 0 0 0 0 0 0 11.8527 -0.0755 -1.4803 C 0 0 0 0 0 0 0 0 0 11.6223 -1.0023 -2.2201 O 0 0 0 0 0 0 0 0 0 13.0995 0.7181 -1.6934 C 0 0 0 0 0 0 0 0 0 7.7025 -5.8393 1.8107 H 0 0 0 0 0 0 0 0 0 5.5510 -6.9998 1.9213 H 0 0 0 0 0 0 0 0 0 3.5367 -5.8674 1.1191 H 0 0 0 0 0 0 0 0 0 3.6947 -3.6097 0.2148 H 0 0 0 0 0 0 0 0 0 5.4588 -2.1397 -1.0571 H 0 0 0 0 0 0 0 0 0 4.7465 0.1783 -1.0057 H 0 0 0 0 0 0 0 0 0 3.4184 1.8419 0.1715 H 0 0 0 0 0 0 0 0 0 3.7850 -0.3934 3.7308 H 0 0 0 0 0 0 0 0 0 5.1087 -2.0477 2.5745 H 0 0 0 0 0 0 0 0 0 7.2739 -1.5097 -2.2963 H 0 0 0 0 0 0 0 0 0 7.6170 -1.3819 1.9157 H 0 0 0 0 0 0 0 0 0 9.8136 -0.3598 1.6953 H 0 0 0 0 0 0 0 0 0 9.4560 -0.4941 -2.5059 H 0 0 0 0 0 0 0 0 0 0.1960 2.2628 4.4800 H 0 0 0 0 0 0 0 0 0 1.5528 1.9585 5.5670 H 0 0 0 0 0 0 0 0 0 1.6395 3.2852 4.4040 H 0 0 0 0 0 0 0 0 0 13.1493 1.0381 -2.7233 H 0 0 0 0 0 0 0 0 0 13.0887 1.5799 -1.0434 H 0 0 0 0 0 0 0 0 0 13.9500 0.0949 -1.4637 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 15 1 0 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 20 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END > 614826 > K $$$$ 614928 1016 111283D 614928 27 27 1 1 V2000 0.0213 1.4150 0.0801 O 0 0 0 0 0 0 0 0 0 0.0883 0.0135 -0.0158 C 0 0 1 0 0 0 0 0 0 1.1869 -0.4118 0.9658 C 0 0 0 0 0 0 0 0 0 2.1089 0.8379 0.9825 C 0 0 0 0 0 0 0 0 0 1.3724 1.7993 0.0405 C 0 0 1 0 0 0 0 0 0 -1.1772 -0.5069 0.3058 O 0 0 0 0 0 0 0 0 0 0.5323 -0.7415 2.3184 C 0 0 0 0 0 0 0 0 0 1.8306 -1.7139 0.4630 C 0 0 0 0 0 0 0 0 0 2.2441 1.5209 2.3549 C 0 0 0 0 0 0 0 0 0 3.5365 0.6103 0.4605 C 0 0 0 0 0 0 0 0 0 1.7552 1.6145 -1.3010 O 0 0 0 0 0 0 0 0 0 0.3474 -0.2636 -1.0319 H 0 0 0 0 0 0 0 0 0 1.5039 2.8366 0.3236 H 0 0 0 0 0 0 0 0 0 -1.8194 0.0740 -0.0861 H 0 0 0 0 0 0 0 0 0 -0.1339 -1.5864 2.2156 H 0 0 0 0 0 0 0 0 0 1.2886 -0.9914 3.0482 H 0 0 0 0 0 0 0 0 0 -0.0490 0.0952 2.6773 H 0 0 0 0 0 0 0 0 0 1.0930 -2.5032 0.4257 H 0 0 0 0 0 0 0 0 0 2.2324 -1.5847 -0.5313 H 0 0 0 0 0 0 0 0 0 2.6267 -2.0147 1.1283 H 0 0 0 0 0 0 0 0 0 2.8559 2.4084 2.2750 H 0 0 0 0 0 0 0 0 0 1.2766 1.8185 2.7322 H 0 0 0 0 0 0 0 0 0 2.7094 0.8485 3.0609 H 0 0 0 0 0 0 0 0 0 4.0780 1.5449 0.4271 H 0 0 0 0 0 0 0 0 0 4.0634 -0.0735 1.1102 H 0 0 0 0 0 0 0 0 0 3.5173 0.2004 -0.5387 H 0 0 0 0 0 0 0 0 0 1.1199 2.0783 -1.8365 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 1 0 0 0 2 12 1 6 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 6 0 0 0 5 13 1 1 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 M END > 614928 > K $$$$ 615593 1016 111283D 615593 145149 0 2 V2000 4.7667 2.5651 8.6626 Pt 0 0 0 0 0 0 0 0 0 5.6685 1.9484 7.3117 N 0 3 0 0 0 0 0 0 0 5.6130 1.6215 6.2009 C 0 0 0 0 0 0 0 0 0 6.0619 -2.0688 5.7591 C 0 0 0 0 0 0 0 0 0 4.9382 -3.0235 6.1559 C 0 0 0 0 0 0 0 0 0 4.8483 -4.1055 5.0667 C 0 0 0 0 0 0 0 0 0 3.5628 -4.9137 4.9081 C 0 0 0 0 0 0 0 0 0 4.9366 -3.4402 7.6329 C 0 0 0 0 0 0 0 0 0 6.0392 -4.3874 8.1069 C 0 0 0 0 0 0 0 0 0 6.3037 3.0803 9.3759 N 0 3 0 0 0 0 0 0 0 6.7308 2.4739 10.2772 C 0 0 0 0 0 0 0 0 0 7.2727 1.7039 11.4199 C 0 0 0 0 0 0 0 0 0 7.0980 2.2032 12.6565 C 0 0 0 0 0 0 0 0 0 7.9584 0.4303 10.9513 C 0 0 0 0 0 0 0 0 0 10.4413 -0.1370 11.2279 C 0 0 0 0 0 0 0 0 0 10.2068 -1.4133 12.0569 C 0 0 0 0 0 0 0 0 0 9.8489 -2.5578 11.1008 C 0 0 0 0 0 0 0 0 0 8.9007 -3.4541 11.8915 C 0 0 0 0 0 0 0 0 0 11.0297 -1.8289 13.3202 C 0 0 0 0 0 0 0 0 0 12.2800 -2.7348 13.3235 C 0 0 0 0 0 0 0 0 0 7.2534 -0.5424 10.7738 O 0 0 0 0 0 0 0 0 0 -1.7390 5.4670 5.5201 C 0 0 0 0 0 0 0 0 0 -2.2660 5.3673 4.2360 C 0 0 0 0 0 0 0 0 0 -1.5856 4.6871 3.2391 C 0 0 0 0 0 0 0 0 0 -0.4552 3.9633 3.5731 C 0 0 0 0 0 0 0 0 0 0.1210 4.1019 4.8334 C 0 0 0 0 0 0 0 0 0 -0.5164 4.8677 5.8128 C 0 0 0 0 0 0 0 0 0 1.3297 3.4568 5.0425 C 0 0 0 0 0 0 0 0 0 2.1102 3.5943 6.5658 S 0 0 0 0 0 0 0 0 0 3.4775 2.6936 6.7068 O 0 5 0 0 0 0 0 0 0 2.6659 4.7575 7.1744 O 0 0 0 0 0 0 0 0 0 1.2764 3.1543 7.6285 O 0 0 0 0 0 0 0 0 0 1.9538 2.6860 4.0761 C 0 0 0 0 0 0 0 0 0 1.3123 2.5543 2.8545 C 0 0 0 0 0 0 0 0 0 0.0727 3.1075 2.6196 C 0 0 0 0 0 0 0 0 0 -0.5943 2.7982 1.4729 N 0 0 0 0 0 0 0 0 0 1.8127 1.9059 1.8069 N 0 0 0 0 0 0 0 0 0 1.9840 0.8457 1.7317 N 0 0 0 0 0 0 0 0 0 3.1832 0.6633 1.1931 C 0 0 0 0 0 0 0 0 0 3.6613 1.5491 0.2277 C 0 0 0 0 0 0 0 0 0 4.9974 1.5168 -0.0903 C 0 0 0 0 0 0 0 0 0 5.7285 0.4769 0.4506 C 0 0 0 0 0 0 0 0 0 5.2062 -0.5261 1.2539 C 0 0 0 0 0 0 0 0 0 3.8970 -0.4193 1.6694 C 0 0 0 0 0 0 0 0 0 7.1473 0.4341 0.1660 C 0 0 0 0 0 0 0 0 0 7.6420 0.6241 -1.1148 C 0 0 0 0 0 0 0 0 0 9.0138 0.5765 -1.2910 C 0 0 0 0 0 0 0 0 0 9.8106 0.3685 -0.1728 C 0 0 0 0 0 0 0 0 0 9.2794 0.1281 1.0925 C 0 0 0 0 0 0 0 0 0 7.9237 0.1912 1.2803 C 0 0 0 0 0 0 0 0 0 11.1513 0.4070 -0.2768 N 0 0 0 0 0 0 0 0 0 11.6539 0.6317 0.6672 N 0 0 0 0 0 0 0 0 0 11.7241 1.8951 1.1291 C 0 0 0 0 0 0 0 0 0 11.3603 2.9793 0.3266 C 0 0 0 0 0 0 0 0 0 10.2932 3.1085 -0.5737 N 0 0 0 0 0 0 0 0 0 12.2518 4.0044 0.5431 C 0 0 0 0 0 0 0 0 0 13.1051 3.9943 1.6702 C 0 0 0 0 0 0 0 0 0 13.0886 3.0387 2.7096 C 0 0 0 0 0 0 0 0 0 12.2181 1.9959 2.4240 C 0 0 0 0 0 0 0 0 0 14.0387 2.9711 4.3264 S 0 0 0 0 0 0 0 0 0 13.1227 3.1076 5.6747 O 0 5 0 0 0 0 0 0 0 14.7004 1.7056 4.4400 O 0 0 0 0 0 0 0 0 0 15.1427 3.8699 4.4734 O 0 0 0 0 0 0 0 0 0 14.0141 5.0265 1.7102 C 0 0 0 0 0 0 0 0 0 13.9822 6.0494 0.7667 C 0 0 0 0 0 0 0 0 0 13.0908 6.0688 -0.2981 C 0 0 0 0 0 0 0 0 0 12.2342 5.0025 -0.4288 C 0 0 0 0 0 0 0 0 0 5.6237 1.2929 4.7622 C 0 0 0 0 0 0 0 0 0 5.7521 2.3849 3.9701 C 0 0 0 0 0 0 0 0 0 5.4520 -0.1855 4.6234 C 0 0 0 0 0 0 0 0 0 5.2433 -0.8983 3.6826 O 0 0 0 0 0 0 0 0 0 5.5648 -0.7337 5.8704 O 0 0 0 0 0 0 0 0 0 9.2912 0.6324 10.7512 O 0 0 0 0 0 0 0 0 0 4.6202 3.3650 10.1215 O 0 3 0 0 0 0 0 0 0 3.7570 4.3203 10.1848 S 0 0 0 0 0 0 0 0 0 4.9052 5.6106 10.7492 C 0 0 0 0 0 0 0 0 0 2.9574 4.1362 11.8074 C 0 0 0 0 0 0 0 0 0 3.0772 2.4700 8.6798 O 0 3 0 0 0 0 0 0 0 2.3392 1.4277 8.5532 S 0 0 0 0 0 0 0 0 0 2.4494 0.9237 10.2102 C 0 0 0 0 0 0 0 0 0 2.5717 0.1525 7.3291 C 0 0 0 0 0 0 0 0 0 6.3532 -2.3744 4.7589 H 0 0 0 0 0 0 0 0 0 6.9346 -2.1974 6.3889 H 0 0 0 0 0 0 0 0 0 4.0313 -2.4617 6.0325 H 0 0 0 0 0 0 0 0 0 4.8549 -3.5667 4.1275 H 0 0 0 0 0 0 0 0 0 5.7265 -4.7384 5.0991 H 0 0 0 0 0 0 0 0 0 2.7056 -4.2633 4.7960 H 0 0 0 0 0 0 0 0 0 3.4058 -5.6057 5.7201 H 0 0 0 0 0 0 0 0 0 3.6534 -5.4865 3.9935 H 0 0 0 0 0 0 0 0 0 4.9380 -2.5567 8.2587 H 0 0 0 0 0 0 0 0 0 4.0037 -3.9677 7.7697 H 0 0 0 0 0 0 0 0 0 5.8445 -4.6321 9.1437 H 0 0 0 0 0 0 0 0 0 5.9908 -5.2994 7.5278 H 0 0 0 0 0 0 0 0 0 7.0357 -3.9750 8.0290 H 0 0 0 0 0 0 0 0 0 7.5537 1.6487 13.4251 H 0 0 0 0 0 0 0 0 0 6.5507 3.0998 12.8937 H 0 0 0 0 0 0 0 0 0 11.0123 -0.4690 10.3753 H 0 0 0 0 0 0 0 0 0 11.1901 0.4593 11.7513 H 0 0 0 0 0 0 0 0 0 9.2967 -1.1073 12.5318 H 0 0 0 0 0 0 0 0 0 9.3500 -2.1730 10.2197 H 0 0 0 0 0 0 0 0 0 10.7262 -3.0958 10.7547 H 0 0 0 0 0 0 0 0 0 8.5407 -4.2839 11.3049 H 0 0 0 0 0 0 0 0 0 8.0628 -2.8759 12.2555 H 0 0 0 0 0 0 0 0 0 9.4393 -3.8449 12.7411 H 0 0 0 0 0 0 0 0 0 10.3451 -2.3499 13.9811 H 0 0 0 0 0 0 0 0 0 11.3115 -0.9332 13.8517 H 0 0 0 0 0 0 0 0 0 12.5951 -2.8928 14.3532 H 0 0 0 0 0 0 0 0 0 12.1291 -3.7263 12.9150 H 0 0 0 0 0 0 0 0 0 13.1001 -2.2694 12.7980 H 0 0 0 0 0 0 0 0 0 -2.2705 6.0005 6.2629 H 0 0 0 0 0 0 0 0 0 -3.1890 5.8055 3.9958 H 0 0 0 0 0 0 0 0 0 -1.9176 4.7181 2.2361 H 0 0 0 0 0 0 0 0 0 -0.0971 5.0014 6.7727 H 0 0 0 0 0 0 0 0 0 2.8783 2.2285 4.2828 H 0 0 0 0 0 0 0 0 0 -1.5550 2.9118 1.4183 H 0 0 0 0 0 0 0 0 0 -0.1273 2.4488 0.6938 H 0 0 0 0 0 0 0 0 0 3.0292 2.2412 -0.2504 H 0 0 0 0 0 0 0 0 0 5.4271 2.2543 -0.7078 H 0 0 0 0 0 0 0 0 0 5.7923 -1.3494 1.5519 H 0 0 0 0 0 0 0 0 0 3.4744 -1.1296 2.3260 H 0 0 0 0 0 0 0 0 0 6.9897 0.7967 -1.9217 H 0 0 0 0 0 0 0 0 0 9.4428 0.7003 -2.2431 H 0 0 0 0 0 0 0 0 0 9.8961 -0.0981 1.9126 H 0 0 0 0 0 0 0 0 0 7.4982 0.0624 2.2325 H 0 0 0 0 0 0 0 0 0 9.4376 2.7327 -0.3316 H 0 0 0 0 0 0 0 0 0 10.3104 3.5641 -1.4400 H 0 0 0 0 0 0 0 0 0 11.9338 1.2746 3.1440 H 0 0 0 0 0 0 0 0 0 14.7239 5.0001 2.4775 H 0 0 0 0 0 0 0 0 0 14.6574 6.8305 0.8676 H 0 0 0 0 0 0 0 0 0 13.0402 6.8485 -1.0054 H 0 0 0 0 0 0 0 0 0 11.6037 4.9955 -1.2733 H 0 0 0 0 0 0 0 0 0 5.8022 2.3580 2.9214 H 0 0 0 0 0 0 0 0 0 5.8055 3.3537 4.4040 H 0 0 0 0 0 0 0 0 0 5.9710 5.4014 10.6956 H 0 0 0 0 0 0 0 0 0 4.6648 6.5119 10.2046 H 0 0 0 0 0 0 0 0 0 4.6786 5.8146 11.7898 H 0 0 0 0 0 0 0 0 0 2.4272 5.0693 11.9372 H 0 0 0 0 0 0 0 0 0 2.2094 3.3660 11.8906 H 0 0 0 0 0 0 0 0 0 3.6829 4.0415 12.6117 H 0 0 0 0 0 0 0 0 0 3.4288 0.5123 10.2479 H 0 0 0 0 0 0 0 0 0 1.6286 0.2460 10.3145 H 0 0 0 0 0 0 0 0 0 2.3395 1.8047 10.8055 H 0 0 0 0 0 0 0 0 0 2.4415 0.4418 6.2913 H 0 0 0 0 0 0 0 0 0 3.4941 -0.3481 7.4945 H 0 0 0 0 0 0 0 0 0 1.7551 -0.4988 7.5800 H 0 0 0 0 0 0 0 0 0 1 74 1 0 0 0 0 1 78 1 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 2 3 3 0 0 0 0 3 68 1 0 0 0 0 4 72 1 0 0 0 0 4 5 1 0 0 0 0 4 82 1 0 0 0 0 4 83 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 84 1 0 0 0 0 6 7 1 0 0 0 0 6 85 1 0 0 0 0 6 86 1 0 0 0 0 7 87 1 0 0 0 0 7 88 1 0 0 0 0 7 89 1 0 0 0 0 8 9 1 0 0 0 0 8 90 1 0 0 0 0 8 91 1 0 0 0 0 9 92 1 0 0 0 0 9 93 1 0 0 0 0 9 94 1 0 0 0 0 10 11 3 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 13 95 1 0 0 0 0 13 96 1 0 0 0 0 14 73 1 0 0 0 0 14 21 2 0 0 0 0 15 73 1 0 0 0 0 15 16 1 0 0 0 0 15 97 1 0 0 0 0 15 98 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 99 1 0 0 0 0 17 18 1 0 0 0 0 17100 1 0 0 0 0 17101 1 0 0 0 0 18102 1 0 0 0 0 18103 1 0 0 0 0 18104 1 0 0 0 0 19 20 1 0 0 0 0 19105 1 0 0 0 0 19106 1 0 0 0 0 20107 1 0 0 0 0 20108 1 0 0 0 0 20109 1 0 0 0 0 22 27 2 0 0 0 0 22 23 1 0 0 0 0 22110 1 0 0 0 0 23 24 2 0 0 0 0 23111 1 0 0 0 0 24 25 1 0 0 0 0 24112 1 0 0 0 0 25 35 2 0 0 0 0 25 26 1 0 0 0 0 26 28 2 0 0 0 0 26 27 1 0 0 0 0 27113 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 2 0 0 0 0 33 34 2 0 0 0 0 33114 1 0 0 0 0 34 37 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36115 1 0 0 0 0 36116 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 40117 1 0 0 0 0 41 42 2 0 0 0 0 41118 1 0 0 0 0 42 45 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43119 1 0 0 0 0 44120 1 0 0 0 0 45 46 2 0 0 0 0 45 50 1 0 0 0 0 46 47 1 0 0 0 0 46121 1 0 0 0 0 47 48 2 0 0 0 0 47122 1 0 0 0 0 48 51 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49123 1 0 0 0 0 50124 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 59 2 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 55125 1 0 0 0 0 55126 1 0 0 0 0 56 57 1 0 0 0 0 56 67 1 0 0 0 0 57 58 2 0 0 0 0 57 64 1 0 0 0 0 58 60 1 0 0 0 0 58 59 1 0 0 0 0 59127 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 60 63 2 0 0 0 0 64 65 2 0 0 0 0 64128 1 0 0 0 0 65 66 1 0 0 0 0 65129 1 0 0 0 0 66 67 2 0 0 0 0 66130 1 0 0 0 0 67131 1 0 0 0 0 68 70 1 0 0 0 0 68 69 2 0 0 0 0 69132 1 0 0 0 0 69133 1 0 0 0 0 70 72 1 0 0 0 0 70 71 2 0 0 0 0 74 75 2 0 0 0 0 75 76 1 0 0 0 0 75 77 1 0 0 0 0 76134 1 0 0 0 0 76135 1 0 0 0 0 76136 1 0 0 0 0 77137 1 0 0 0 0 77138 1 0 0 0 0 77139 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 80140 1 0 0 0 0 80141 1 0 0 0 0 80142 1 0 0 0 0 81143 1 0 0 0 0 81144 1 0 0 0 0 81145 1 0 0 0 0 M CHG 6 2 1 10 1 30 -1 61 -1 74 1 78 1 M END > 615593 > K $$$$ 615985 1016 111283D 615985 41 42 0 1 V2000 0.9719 5.0284 9.5652 O 0 0 0 0 0 0 0 0 0 -0.0863 5.1411 8.6330 C 0 0 0 0 0 0 0 0 0 -0.6565 3.7605 8.3447 C 0 0 0 0 0 0 0 0 0 0.6731 2.7292 7.6704 S 0 0 0 0 0 0 0 0 0 2.1956 3.4846 8.2350 C 0 0 0 0 0 0 0 0 0 2.1481 4.5226 9.0911 C 0 0 0 0 0 0 0 0 0 3.3884 5.1999 9.5973 C 0 0 0 0 0 0 0 0 0 3.4927 2.9135 7.7159 C 0 0 0 0 0 0 0 0 0 4.5300 3.4964 7.9191 O 0 0 0 0 0 0 0 0 0 3.5065 1.7401 7.0199 N 0 0 0 0 0 0 0 0 0 4.5637 1.2570 6.2990 C 0 0 0 0 0 0 0 0 0 5.6578 2.0303 5.9193 C 0 0 0 0 0 0 0 0 0 6.7072 1.4794 5.1913 C 0 0 0 0 0 0 0 0 0 6.6626 0.1386 4.8241 C 0 0 0 0 0 0 0 0 0 5.5739 -0.6388 5.1934 C 0 0 0 0 0 0 0 0 0 4.5342 -0.0819 5.9253 C 0 0 0 0 0 0 0 0 0 7.8732 2.3492 4.8164 C 0 0 0 0 0 0 0 0 0 7.9402 3.4724 5.2578 O 0 0 0 0 0 0 0 0 0 8.8459 1.8828 3.9871 O 0 0 0 0 0 0 0 0 0 7.9370 -0.6172 3.9069 Cl 0 0 0 0 0 0 0 0 0 10.0594 2.6044 4.0377 C 0 0 0 0 0 0 0 0 0 10.8505 2.1489 5.2648 C 0 0 0 0 0 0 0 0 0 10.8238 2.2768 2.7585 C 0 0 0 0 0 0 0 0 0 -0.8623 5.7572 9.0641 H 0 0 0 0 0 0 0 0 0 0.2492 5.6102 7.7172 H 0 0 0 0 0 0 0 0 0 -1.0142 3.3275 9.2667 H 0 0 0 0 0 0 0 0 0 -1.4677 3.8304 7.6344 H 0 0 0 0 0 0 0 0 0 3.1030 5.9986 10.2658 H 0 0 0 0 0 0 0 0 0 4.0062 4.4932 10.1306 H 0 0 0 0 0 0 0 0 0 3.9429 5.6218 8.7713 H 0 0 0 0 0 0 0 0 0 2.6975 1.2066 7.0450 H 0 0 0 0 0 0 0 0 0 5.7021 3.0462 6.1777 H 0 0 0 0 0 0 0 0 0 5.5382 -1.6518 4.9177 H 0 0 0 0 0 0 0 0 0 3.7177 -0.6831 6.1993 H 0 0 0 0 0 0 0 0 0 9.9022 3.6749 4.0761 H 0 0 0 0 0 0 0 0 0 10.3188 2.4281 6.1626 H 0 0 0 0 0 0 0 0 0 10.9627 1.0745 5.2450 H 0 0 0 0 0 0 0 0 0 11.8267 2.6109 5.2761 H 0 0 0 0 0 0 0 0 0 10.9431 1.2070 2.6661 H 0 0 0 0 0 0 0 0 0 10.2651 2.6434 1.9099 H 0 0 0 0 0 0 0 0 0 11.7958 2.7480 2.7740 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 14 2 0 0 0 0 14 20 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 615985 > K $$$$ 616232 1016 111283D 616232 24 23 1 1 V2000 -3.8590 4.4358 -1.8548 Br 0 0 0 0 0 0 0 0 0 -3.0471 4.0937 -0.0952 C 0 0 0 0 0 0 0 0 0 -1.5773 4.5195 -0.1049 C 0 0 1 0 0 0 0 0 0 -1.4569 5.8945 -0.4094 O 0 0 0 0 0 0 0 0 0 -0.9098 4.1958 1.2365 C 0 0 1 0 0 0 0 0 0 -1.2297 2.8703 1.6123 O 0 0 0 0 0 0 0 0 0 0.6041 4.4601 1.1843 C 0 0 1 0 0 0 0 0 0 0.9238 5.7857 0.8088 O 0 0 0 0 0 0 0 0 0 1.2715 4.1359 2.5257 C 0 0 1 0 0 0 0 0 0 1.1516 2.7606 2.8291 O 0 0 0 0 0 0 0 0 0 2.7410 4.5626 2.5166 C 0 0 0 0 0 0 0 0 0 3.5521 4.2208 4.2767 Br 0 0 0 0 0 0 0 0 0 -1.0783 3.9517 -0.8779 H 0 0 0 0 0 0 0 0 0 -1.3389 4.8547 1.9779 H 0 0 0 0 0 0 0 0 0 1.0331 3.8013 0.4428 H 0 0 0 0 0 0 0 0 0 0.7719 4.7030 3.2989 H 0 0 0 0 0 0 0 0 0 -3.5868 4.6501 0.6572 H 0 0 0 0 0 0 0 0 0 -3.1238 3.0381 0.1230 H 0 0 0 0 0 0 0 0 0 -2.0098 6.4140 0.1657 H 0 0 0 0 0 0 0 0 0 -0.6911 2.2465 1.1356 H 0 0 0 0 0 0 0 0 0 0.3858 6.4094 1.2863 H 0 0 0 0 0 0 0 0 0 1.7086 2.2421 2.2570 H 0 0 0 0 0 0 0 0 0 3.2814 4.0064 1.7645 H 0 0 0 0 0 0 0 0 0 2.8173 5.6183 2.2984 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 1 0 0 0 3 13 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 1 0 0 0 5 14 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 1 0 0 0 7 15 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 9 16 1 1 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 M END > 616232 > K $$$$ 616355 1016 111283D 616355 51 53 1 1 V2000 8.6331 -2.4518 0.2434 C 0 0 0 0 0 0 0 0 0 9.1753 -2.2006 -0.9762 N 0 0 0 0 0 0 0 0 0 9.1781 -0.9624 -1.5161 C 0 0 0 0 0 0 0 0 0 9.7355 -0.8008 -2.7364 N 0 0 0 0 0 0 0 0 0 8.6115 0.0754 -0.7937 C 0 0 0 0 0 0 0 0 0 8.0709 -0.2137 0.4383 C 0 0 0 0 0 0 0 0 0 8.0652 -1.4542 0.9648 N 0 0 0 0 0 0 0 0 0 7.6016 0.9328 0.9302 N 0 0 0 0 0 0 0 0 0 7.8511 1.9003 0.0242 C 0 0 0 0 0 0 0 0 0 8.4716 1.3894 -1.0630 N 0 0 0 0 0 0 0 0 0 6.9569 1.1110 2.1810 C 0 0 1 0 0 0 0 0 0 7.2858 2.4352 2.5245 O 0 0 0 0 0 0 0 0 0 6.1147 3.2353 2.5553 C 0 0 1 0 0 0 0 0 0 5.0332 2.2364 2.9409 C 0 0 0 0 0 0 0 0 0 5.4411 1.0813 2.0356 C 0 0 0 0 0 0 0 0 0 6.2795 4.4231 3.5127 C 0 0 0 0 0 0 0 0 0 5.2038 5.3621 3.4900 O 0 0 0 0 0 0 0 0 0 5.3133 6.4620 4.6381 Si 0 0 0 0 0 0 0 0 0 7.0718 6.9814 4.7777 C 0 0 0 0 0 0 0 0 0 4.3853 7.8584 3.9026 C 0 0 0 0 0 0 0 0 0 4.5741 5.8913 6.3193 C 0 0 0 0 0 0 0 0 0 5.3161 4.7061 6.9666 C 0 0 0 0 0 0 0 0 0 4.5762 7.0086 7.3801 C 0 0 0 0 0 0 0 0 0 3.1090 5.4365 6.1894 C 0 0 0 0 0 0 0 0 0 8.6543 -3.4285 0.6305 H 0 0 0 0 0 0 0 0 0 10.1170 -1.5669 -3.1887 H 0 0 0 0 0 0 0 0 0 9.7529 0.0745 -3.1537 H 0 0 0 0 0 0 0 0 0 7.5999 2.9140 0.1440 H 0 0 0 0 0 0 0 0 0 7.3065 0.4197 2.9383 H 0 0 0 0 0 0 0 0 0 5.8979 3.6495 1.5796 H 0 0 0 0 0 0 0 0 0 5.1380 1.9697 3.9821 H 0 0 0 0 0 0 0 0 0 4.0448 2.6245 2.7403 H 0 0 0 0 0 0 0 0 0 5.1776 1.3029 1.0115 H 0 0 0 0 0 0 0 0 0 5.0215 0.1324 2.3323 H 0 0 0 0 0 0 0 0 0 6.4543 3.9892 4.4864 H 0 0 0 0 0 0 0 0 0 7.1996 4.8871 3.1831 H 0 0 0 0 0 0 0 0 0 7.1237 7.8271 5.4427 H 0 0 0 0 0 0 0 0 0 7.6480 6.1580 5.1650 H 0 0 0 0 0 0 0 0 0 7.4065 7.2515 3.7896 H 0 0 0 0 0 0 0 0 0 4.8671 8.0990 2.9695 H 0 0 0 0 0 0 0 0 0 3.3804 7.5143 3.7238 H 0 0 0 0 0 0 0 0 0 4.4030 8.6927 4.5829 H 0 0 0 0 0 0 0 0 0 4.8809 4.4569 7.9251 H 0 0 0 0 0 0 0 0 0 5.2450 3.8307 6.3363 H 0 0 0 0 0 0 0 0 0 6.3593 4.9448 7.1196 H 0 0 0 0 0 0 0 0 0 3.9961 7.8552 7.0390 H 0 0 0 0 0 0 0 0 0 4.1426 6.6584 8.3075 H 0 0 0 0 0 0 0 0 0 5.5857 7.3382 7.5836 H 0 0 0 0 0 0 0 0 0 3.0425 4.6206 5.4816 H 0 0 0 0 0 0 0 0 0 2.7149 5.1023 7.1396 H 0 0 0 0 0 0 0 0 0 2.4906 6.2466 5.8284 H 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 11 12 1 1 0 0 0 11 15 1 6 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 1 0 0 0 13 14 1 6 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 M END > 616355 > K $$$$ 617540 1016 111283D 617540 66 66 0 1 V2000 -2.4128 13.1278 -18.4404 C 0 0 0 0 0 0 0 0 0 -3.2650 12.1756 -18.9981 C 0 0 0 0 0 0 0 0 0 -3.3485 10.9149 -18.4120 C 0 0 0 0 0 0 0 0 0 -2.6025 10.6102 -17.2819 C 0 0 0 0 0 0 0 0 0 -1.7625 11.5662 -16.7297 C 0 0 0 0 0 0 0 0 0 -1.6638 12.8263 -17.3077 C 0 0 0 0 0 0 0 0 0 -0.7500 13.8651 -16.7129 C 0 0 0 0 0 0 0 0 0 0.6574 13.8468 -17.3223 C 0 0 0 0 0 0 0 0 0 1.4600 12.5563 -17.1130 C 0 0 0 0 0 0 0 0 0 1.6824 12.1606 -15.6508 C 0 0 0 0 0 0 0 0 0 2.5299 13.1655 -14.8669 C 0 0 0 0 0 0 0 0 0 2.7372 12.7457 -13.4081 C 0 0 0 0 0 0 0 0 0 1.4493 12.5942 -12.5906 C 0 0 0 0 0 0 0 0 0 0.6162 13.8790 -12.5234 C 0 0 0 0 0 0 0 0 0 -0.6278 13.7187 -11.6476 C 0 0 0 0 0 0 0 0 0 -1.5889 12.7185 -12.2273 C 0 0 0 0 0 0 0 0 0 -2.3750 11.9820 -11.4310 C 0 0 0 0 0 0 0 0 0 -3.2706 10.9193 -12.0000 C 0 0 0 0 0 0 0 0 0 -4.6172 11.5037 -12.4323 C 0 0 0 0 0 0 0 0 0 -2.3680 12.1452 -10.3928 H 0 0 0 0 0 0 0 0 0 -1.6426 12.5973 -13.2702 H 0 0 0 0 0 0 0 0 0 -5.5789 10.4405 -12.9693 C 0 0 0 0 0 0 0 0 0 -5.0931 9.8134 -14.2778 C 0 0 0 0 0 0 0 0 0 -6.1215 8.8234 -14.8236 C 0 0 0 0 0 0 0 0 0 -5.6117 8.1742 -16.1077 C 0 0 0 0 0 0 0 0 0 -2.2831 14.3733 -18.9753 O 0 0 0 0 0 0 0 0 0 -3.9806 12.5469 -20.1039 O 0 0 0 0 0 0 0 0 0 -4.5969 11.5397 -20.8835 C 0 0 0 0 0 0 0 0 0 -3.9773 10.1798 -18.8164 H 0 0 0 0 0 0 0 0 0 -2.6737 9.6574 -16.8450 H 0 0 0 0 0 0 0 0 0 -1.2044 11.3305 -15.8731 H 0 0 0 0 0 0 0 0 0 -1.1764 14.8418 -16.8949 H 0 0 0 0 0 0 0 0 0 -0.6913 13.7325 -15.6430 H 0 0 0 0 0 0 0 0 0 0.5693 14.0162 -18.3863 H 0 0 0 0 0 0 0 0 0 1.2152 14.6729 -16.9061 H 0 0 0 0 0 0 0 0 0 0.9470 11.7461 -17.6107 H 0 0 0 0 0 0 0 0 0 2.4254 12.6733 -17.5849 H 0 0 0 0 0 0 0 0 0 0.7243 12.0487 -15.1704 H 0 0 0 0 0 0 0 0 0 2.1833 11.2031 -15.6308 H 0 0 0 0 0 0 0 0 0 3.4984 13.2449 -15.3400 H 0 0 0 0 0 0 0 0 0 2.0636 14.1388 -14.8882 H 0 0 0 0 0 0 0 0 0 3.2603 11.7998 -13.3942 H 0 0 0 0 0 0 0 0 0 3.3649 13.4828 -12.9274 H 0 0 0 0 0 0 0 0 0 0.8534 11.7968 -13.0099 H 0 0 0 0 0 0 0 0 0 1.7228 12.3075 -11.5850 H 0 0 0 0 0 0 0 0 0 1.2273 14.6699 -12.1120 H 0 0 0 0 0 0 0 0 0 0.3008 14.1692 -13.5150 H 0 0 0 0 0 0 0 0 0 -0.3249 13.4155 -10.6550 H 0 0 0 0 0 0 0 0 0 -1.1305 14.6725 -11.5774 H 0 0 0 0 0 0 0 0 0 -2.7766 10.4555 -12.8415 H 0 0 0 0 0 0 0 0 0 -3.4378 10.1680 -11.2414 H 0 0 0 0 0 0 0 0 0 -5.0796 11.9717 -11.5746 H 0 0 0 0 0 0 0 0 0 -4.4614 12.2577 -13.1913 H 0 0 0 0 0 0 0 0 0 -5.7121 9.6674 -12.2254 H 0 0 0 0 0 0 0 0 0 -6.5357 10.9108 -13.1477 H 0 0 0 0 0 0 0 0 0 -4.9247 10.5928 -15.0079 H 0 0 0 0 0 0 0 0 0 -4.1658 9.2866 -14.1051 H 0 0 0 0 0 0 0 0 0 -6.3033 8.0519 -14.0887 H 0 0 0 0 0 0 0 0 0 -7.0496 9.3390 -15.0276 H 0 0 0 0 0 0 0 0 0 -6.3451 7.4693 -16.4710 H 0 0 0 0 0 0 0 0 0 -5.4418 8.9300 -16.8607 H 0 0 0 0 0 0 0 0 0 -4.6868 7.6515 -15.9102 H 0 0 0 0 0 0 0 0 0 -2.8453 14.4524 -19.7403 H 0 0 0 0 0 0 0 0 0 -5.0270 11.9997 -21.7614 H 0 0 0 0 0 0 0 0 0 -3.8699 10.8062 -21.2050 H 0 0 0 0 0 0 0 0 0 -5.3886 11.0566 -20.3291 H 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 22 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 M END > 617540 > K $$$$ 617570 1016 111283D 617570 61 67 1 2 V2000 5.1225 2.1111 2.4815 C 0 0 0 0 0 0 0 0 0 5.2580 2.1753 1.1327 C 0 0 0 0 0 0 0 0 0 4.6796 0.8580 0.4460 C 0 0 0 0 0 0 0 0 0 3.8302 -0.0831 1.0169 N 0 3 0 0 0 0 0 0 0 4.1084 -0.0917 2.3537 C 0 3 0 0 0 0 0 0 0 4.5855 0.8541 3.1880 C 0 0 0 0 0 0 0 0 0 3.7340 -1.3731 2.5312 C 0 0 0 0 0 0 0 0 0 4.2853 -2.1366 3.8292 C 0 0 0 0 0 0 0 0 0 2.8596 -1.6377 1.4508 N 0 3 2 0 0 0 0 0 0 4.9770 0.5003 -0.8285 C 0 0 0 0 0 0 0 0 0 3.8491 -0.2272 -1.1865 N 0 3 1 0 0 0 0 0 0 6.3351 1.0145 -1.5138 C 0 0 0 0 0 0 0 0 0 2.8262 -0.7881 -0.0029 Ni 0 0 0 0 0 0 0 0 0 2.1336 -2.6431 1.9362 N 0 0 0 0 0 0 0 0 0 1.0613 -2.1491 1.5021 C 0 0 0 0 0 0 0 0 0 1.4204 -1.4207 0.3472 O 0 2 0 0 0 0 0 0 0 3.8956 -0.1417 -2.5142 N 0 0 0 0 0 0 0 0 0 2.6880 0.2190 -2.5284 C 0 0 0 0 0 0 0 0 0 2.1458 -0.1247 -1.2594 O 0 2 0 0 0 0 0 0 0 0.0094 -2.5713 2.4541 C 0 0 0 0 0 0 0 0 0 -1.1063 -2.9888 1.8034 C 0 0 0 0 0 0 0 0 0 -2.2100 -3.3318 2.5735 C 0 0 0 0 0 0 0 0 0 -2.1364 -3.2751 3.9683 C 0 0 0 0 0 0 0 0 0 -0.9645 -2.8974 4.6139 C 0 0 0 0 0 0 0 0 0 0.1343 -2.5441 3.8491 C 0 0 0 0 0 0 0 0 0 2.4492 0.8892 -3.8153 C 0 0 0 0 0 0 0 0 0 1.8219 2.0632 -3.5158 C 0 0 0 0 0 0 0 0 0 1.4743 2.8956 -4.5720 C 0 0 0 0 0 0 0 0 0 1.7759 2.5084 -5.8793 C 0 0 0 0 0 0 0 0 0 2.4467 1.3194 -6.1455 C 0 0 0 0 0 0 0 0 0 2.8022 0.4828 -5.0995 C 0 0 0 0 0 0 0 0 0 2.8071 -2.4119 -0.9845 Cl 0 3 0 0 0 0 0 0 0 -0.7976 -2.9530 0.4631 O 0 0 0 0 0 0 0 0 0 1.6820 2.1314 -2.1382 O 0 0 0 0 0 0 0 0 0 5.3851 2.9429 3.0550 H 0 0 0 0 0 0 0 0 0 5.6595 2.9742 0.5756 H 0 0 0 0 0 0 0 0 0 4.4371 0.4473 1.2242 H 0 0 0 0 0 0 0 0 0 4.5429 0.6823 4.2120 H 0 0 0 0 0 0 0 0 0 4.6668 -1.4366 4.5616 H 0 0 0 0 0 0 0 0 0 3.4998 -2.7130 4.3000 H 0 0 0 0 0 0 0 0 0 5.0762 -2.8498 3.5863 H 0 0 0 0 0 0 0 0 0 3.0933 -1.9775 2.2820 H 0 0 0 0 0 0 0 0 0 4.5752 0.1910 -1.5338 H 0 0 0 0 0 0 0 0 0 6.7253 1.8533 -0.9882 H 0 0 0 0 0 0 0 0 0 7.0769 0.2308 -1.5797 H 0 0 0 0 0 0 0 0 0 6.1454 1.3192 -2.5413 H 0 0 0 0 0 0 0 0 0 2.2080 -3.4980 2.5339 H 0 0 0 0 0 0 0 0 0 0.5168 -1.4861 -0.0792 H 0 0 0 0 0 0 0 0 0 4.5567 -0.1655 -3.3101 H 0 0 0 0 0 0 0 0 0 1.2375 0.2406 -1.4681 H 0 0 0 0 0 0 0 0 0 -3.1075 -3.6259 2.1209 H 0 0 0 0 0 0 0 0 0 -2.9754 -3.5214 4.5619 H 0 0 0 0 0 0 0 0 0 -0.9184 -2.8744 5.6741 H 0 0 0 0 0 0 0 0 0 1.0135 -2.2718 4.3644 H 0 0 0 0 0 0 0 0 0 0.9852 3.8076 -4.4029 H 0 0 0 0 0 0 0 0 0 1.4991 3.1175 -6.6894 H 0 0 0 0 0 0 0 0 0 2.6849 1.0509 -7.1357 H 0 0 0 0 0 0 0 0 0 3.3169 -0.4198 -5.3046 H 0 0 0 0 0 0 0 0 0 2.5229 -3.4380 -1.9105 H 0 0 0 0 0 0 0 0 0 -1.5039 -3.6196 0.1894 H 0 0 0 0 0 0 0 0 0 1.6253 3.1339 -2.0916 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 10 2 0 0 0 0 4 13 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 7 2 0 0 0 0 5 6 2 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 42 1 6 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 43 1 6 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 33 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 34 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 M CHG 8 4 1 5 1 9 1 11 1 13 -4 16 2 19 2 32 1 M END > 617570 > K $$$$ 617989 1016 111283D 617989 33 35 1 1 V2000 -5.6745 3.3713 4.7683 C 0 0 0 0 0 0 0 0 0 -6.7895 3.1530 5.5080 N 0 0 0 0 0 0 0 0 0 -4.4765 2.9403 5.2374 N 0 0 0 0 0 0 0 0 0 -3.3124 3.1210 4.5587 C 0 0 0 0 0 0 0 0 0 -3.3092 3.7709 3.3301 C 0 0 0 0 0 0 0 0 0 -4.5273 4.2162 2.8394 C 0 0 0 0 0 0 0 0 0 -5.6991 4.0215 3.5414 C 0 0 0 0 0 0 0 0 0 -6.7267 4.5435 2.8443 N 0 0 0 0 0 0 0 0 0 -6.1770 5.0627 1.7236 C 0 0 0 0 0 0 0 0 0 -4.8385 4.8660 1.7036 N 0 0 0 0 0 0 0 0 0 -4.4928 5.2217 -0.7215 C 0 0 0 0 0 0 0 0 0 -3.9324 5.2801 0.6641 C 0 0 1 0 0 0 0 0 0 -3.5275 6.7611 0.7275 C 0 0 1 0 0 0 0 0 0 -3.0822 7.0881 -0.7048 C 0 0 1 0 0 0 0 0 0 -4.0321 6.2240 -1.4736 C 0 0 0 0 0 0 0 0 0 -4.6381 7.5602 1.0836 O 0 0 0 0 0 0 0 0 0 -3.1822 8.4643 -1.0046 O 0 0 0 0 0 0 0 0 0 -4.4028 6.4710 -2.9045 C 0 0 0 0 0 0 0 0 0 -3.2180 6.4979 -3.6687 O 0 0 0 0 0 0 0 0 0 -6.7182 2.6954 6.3596 H 0 0 0 0 0 0 0 0 0 -7.6556 3.4523 5.1896 H 0 0 0 0 0 0 0 0 0 -2.4120 2.7668 4.9676 H 0 0 0 0 0 0 0 0 0 -2.4185 3.9182 2.7964 H 0 0 0 0 0 0 0 0 0 -6.7225 5.5532 0.9699 H 0 0 0 0 0 0 0 0 0 -5.1612 4.4844 -1.0554 H 0 0 0 0 0 0 0 0 0 -3.0434 4.6656 0.6743 H 0 0 0 0 0 0 0 0 0 -2.7263 6.9162 1.4359 H 0 0 0 0 0 0 0 0 0 -2.0747 6.7308 -0.8712 H 0 0 0 0 0 0 0 0 0 -4.3761 8.4757 1.0327 H 0 0 0 0 0 0 0 0 0 -2.9113 8.5969 -1.9083 H 0 0 0 0 0 0 0 0 0 -5.0668 5.6936 -3.2582 H 0 0 0 0 0 0 0 0 0 -4.9098 7.4248 -2.9691 H 0 0 0 0 0 0 0 0 0 -3.4452 6.6684 -4.5781 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 10 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 1 0 0 0 13 16 1 0 0 0 0 13 14 1 6 0 0 0 13 27 1 1 0 0 0 14 17 1 0 0 0 0 14 15 1 6 0 0 0 14 28 1 1 0 0 0 15 18 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 M END > 617989 > K $$$$ 618261 1016 111283D 618261 54 57 1 2 V2000 -1.9572 -0.0878 0.7448 C 0 0 0 0 0 0 0 0 0 -1.3223 -1.2507 0.9364 C 0 0 0 0 0 0 0 0 0 -1.9235 -2.4530 0.7604 N 0 3 0 0 0 0 0 0 0 -3.1271 -2.5421 0.4316 O 0 0 0 0 0 0 0 0 0 -1.1282 -3.6601 0.9596 O 0 5 0 0 0 0 0 0 0 0.1149 -1.2171 1.3683 C 0 0 1 0 0 0 0 0 0 0.8405 -0.1309 0.8003 O 0 0 0 0 0 0 0 0 0 0.2250 1.0850 0.8566 C 0 0 0 0 0 0 0 0 0 -1.1624 1.1833 0.8351 C 0 0 0 0 0 0 0 0 0 -1.7735 2.4287 0.8945 C 0 0 0 0 0 0 0 0 0 -1.0074 3.5836 0.9799 C 0 0 0 0 0 0 0 0 0 0.3818 3.4791 0.9959 C 0 0 0 0 0 0 0 0 0 0.9963 2.2349 0.9328 C 0 0 0 0 0 0 0 0 0 -1.7052 4.7538 1.0427 O 0 0 0 0 0 0 0 0 0 -0.9822 5.9658 1.1350 C 0 0 0 0 0 0 0 0 0 0.1172 -1.0767 2.9001 C 0 0 1 0 0 0 0 0 0 -0.9522 -1.7789 3.4887 O 0 0 0 0 0 0 0 0 0 1.3639 -1.5078 3.6700 C 0 0 1 0 0 0 0 0 0 0.9021 -2.3206 4.7248 O 0 0 0 0 0 0 0 0 0 -0.5056 -2.2791 4.7272 C 0 0 0 0 0 0 0 0 0 -0.9715 -1.3750 5.8663 C 0 0 0 0 0 0 0 0 0 -1.0500 -3.6935 4.8853 C 0 0 0 0 0 0 0 0 0 2.4361 -2.2507 2.8803 C 0 0 1 0 0 0 0 0 0 3.0652 -1.3653 1.9844 O 0 0 0 0 0 0 0 0 0 3.5796 -2.7189 3.7614 C 0 0 0 0 0 0 0 0 0 4.6448 -2.7944 2.8448 O 0 0 0 0 0 0 0 0 0 4.4067 -1.7876 1.8856 C 0 0 0 0 0 0 0 0 0 4.6376 -2.3592 0.4919 C 0 0 0 0 0 0 0 0 0 5.3199 -0.5983 2.1667 C 0 0 0 0 0 0 0 0 0 -2.9854 -0.0672 0.5344 H 0 0 0 0 0 0 0 0 0 0.5557 -2.1567 1.0707 H 0 0 0 0 0 0 0 0 0 -2.8204 2.5098 0.8769 H 0 0 0 0 0 0 0 0 0 0.9793 4.3389 1.0564 H 0 0 0 0 0 0 0 0 0 2.0439 2.1562 0.9432 H 0 0 0 0 0 0 0 0 0 -1.6860 6.7836 1.1854 H 0 0 0 0 0 0 0 0 0 -0.3744 5.9810 2.0287 H 0 0 0 0 0 0 0 0 0 -0.3588 6.1032 0.2628 H 0 0 0 0 0 0 0 0 0 -0.0540 -0.0378 3.1413 H 0 0 0 0 0 0 0 0 0 1.8317 -0.6262 4.0847 H 0 0 0 0 0 0 0 0 0 -2.0501 -1.3216 5.8728 H 0 0 0 0 0 0 0 0 0 -0.6219 -1.7677 6.8100 H 0 0 0 0 0 0 0 0 0 -0.5660 -0.3843 5.7268 H 0 0 0 0 0 0 0 0 0 -2.1295 -3.6664 4.9010 H 0 0 0 0 0 0 0 0 0 -0.7228 -4.2894 4.0464 H 0 0 0 0 0 0 0 0 0 -0.6813 -4.1302 5.8016 H 0 0 0 0 0 0 0 0 0 2.0305 -3.1078 2.3626 H 0 0 0 0 0 0 0 0 0 3.8076 -1.9852 4.5205 H 0 0 0 0 0 0 0 0 0 3.3609 -3.6730 4.2193 H 0 0 0 0 0 0 0 0 0 5.6574 -2.7018 0.3990 H 0 0 0 0 0 0 0 0 0 3.9657 -3.1900 0.3379 H 0 0 0 0 0 0 0 0 0 4.4389 -1.5995 -0.2491 H 0 0 0 0 0 0 0 0 0 6.3534 -0.9048 2.1008 H 0 0 0 0 0 0 0 0 0 5.1258 0.1869 1.4514 H 0 0 0 0 0 0 0 0 0 5.1229 -0.2294 3.1621 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 6 7 1 6 0 0 0 6 16 1 1 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 1 0 0 0 18 23 1 6 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M CHG 2 3 1 5 -1 M END > 618261 > K $$$$ 618332 1016 111283D 618332 18 19 0 1 V2000 -0.0210 1.3815 0.0086 C 0 0 0 0 0 0 0 0 0 -0.0022 -0.0083 0.0023 C 0 0 0 0 0 0 0 0 0 1.2072 -0.6953 -0.0134 C 0 0 0 0 0 0 0 0 0 2.3992 0.0225 -0.0204 C 0 0 0 0 0 0 0 0 0 1.1692 2.1012 0.0018 C 0 0 0 0 0 0 0 0 0 2.3803 1.4161 -0.0124 C 0 0 0 0 0 0 0 0 0 3.6666 2.1635 -0.0199 C 0 0 0 0 0 0 0 0 0 3.6894 3.3503 -0.2386 O 0 0 0 0 0 0 0 0 0 4.9233 1.4209 0.2471 C 0 0 0 0 0 0 0 0 0 4.9416 0.0835 0.2385 C 0 0 0 0 0 0 0 0 0 3.7054 -0.6896 -0.0372 C 0 0 0 0 0 0 0 0 0 3.7603 -1.8725 -0.2706 O 0 0 0 0 0 0 0 0 0 6.5126 2.3836 0.6012 Br 0 0 0 0 0 0 0 0 0 6.5568 -0.8399 0.5793 Br 0 0 0 0 0 0 0 0 0 -0.9578 1.8987 0.0171 H 0 0 0 0 0 0 0 0 0 -0.9245 -0.5508 0.0081 H 0 0 0 0 0 0 0 0 0 1.2150 -1.7669 -0.0186 H 0 0 0 0 0 0 0 0 0 1.1480 3.1726 0.0074 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 M END > 618332 > K $$$$ 619003 1016 111283D 619003 77 82 1 1 V2000 -3.0153 6.5277 3.5616 C 0 0 0 0 0 0 0 0 0 -3.8506 5.7315 4.3299 C 0 0 0 0 0 0 0 0 0 -3.3947 4.5008 4.7778 C 0 0 0 0 0 0 0 0 0 -2.1164 4.0577 4.4657 C 0 0 0 0 0 0 0 0 0 -1.2725 4.8577 3.6908 C 0 0 0 0 0 0 0 0 0 -1.7339 6.0919 3.2462 C 0 0 0 0 0 0 0 0 0 -0.8579 6.9809 2.4158 C 0 0 0 0 0 0 0 0 0 -1.3278 8.0345 2.0607 O 0 0 0 0 0 0 0 0 0 0.5457 6.5735 2.0441 C 0 0 0 0 0 0 0 0 0 1.0293 5.3409 2.4852 C 0 0 0 0 0 0 0 0 0 0.1268 4.4455 3.3084 C 0 0 0 0 0 0 0 0 0 0.5272 3.3692 3.6753 O 0 0 0 0 0 0 0 0 0 2.3333 4.9573 2.1604 C 0 0 0 0 0 0 0 0 0 3.1506 5.8151 1.4353 C 0 0 0 0 0 0 0 0 0 2.6529 7.0223 0.9630 C 0 0 0 0 0 0 0 0 0 1.3563 7.4076 1.2717 C 0 0 0 0 0 0 0 0 0 1.0027 8.6196 0.7598 O 0 0 0 0 0 0 0 0 0 2.9231 3.7740 2.4912 O 0 0 0 0 0 0 0 0 0 4.5753 5.4022 1.1764 C 0 0 1 0 0 0 0 0 0 5.4455 6.5296 0.6213 C 0 0 0 0 0 0 0 0 0 4.7035 7.2369 -0.5132 C 0 0 1 0 0 0 0 0 0 3.4914 7.9440 0.1135 C 0 0 2 0 0 0 0 0 0 3.9384 9.0213 0.9108 O 0 0 0 0 0 0 0 0 0 5.6567 8.2270 -1.1991 C 0 0 0 0 0 0 0 0 0 5.0252 9.0621 -2.3141 C 0 0 0 0 0 0 0 0 0 4.2979 6.2247 -1.4124 O 0 0 0 0 0 0 0 0 0 5.1103 5.0001 2.4223 O 0 0 0 0 0 0 0 0 0 6.0808 3.9781 2.3370 C 0 0 1 0 0 0 0 0 0 7.3231 4.6010 2.0932 O 0 0 0 0 0 0 0 0 0 7.6562 5.5261 3.1107 C 0 0 1 0 0 0 0 0 0 7.7398 4.8568 4.4939 C 0 0 1 0 0 0 0 0 0 6.3933 4.1869 4.8206 C 0 0 1 0 0 0 0 0 0 6.0903 3.2261 3.6647 C 0 0 0 0 0 0 0 0 0 6.3445 3.4706 6.1070 N 0 0 0 0 0 0 0 0 0 5.0079 3.0129 6.5060 C 0 0 0 0 0 0 0 0 0 5.0878 2.1164 7.7423 C 0 0 0 0 0 0 0 0 0 5.7209 2.8052 8.8040 O 0 0 0 0 0 0 0 0 0 7.0394 3.1859 8.4586 C 0 0 0 0 0 0 0 0 0 7.0289 4.1071 7.2373 C 0 0 0 0 0 0 0 0 0 8.7593 3.8790 4.5726 O 0 0 0 0 0 0 0 0 0 8.9673 6.1828 2.6914 C 0 0 0 0 0 0 0 0 0 -1.8201 2.8327 4.9778 O 0 0 0 0 0 0 0 0 0 -3.3563 7.4616 3.2195 H 0 0 0 0 0 0 0 0 0 -4.8202 6.0572 4.5710 H 0 0 0 0 0 0 0 0 0 -4.0202 3.8914 5.3612 H 0 0 0 0 0 0 0 0 0 0.1047 8.8655 0.9330 H 0 0 0 0 0 0 0 0 0 2.4087 3.2214 3.0583 H 0 0 0 0 0 0 0 0 0 4.5388 4.5974 0.4539 H 0 0 0 0 0 0 0 0 0 5.6626 7.2382 1.4079 H 0 0 0 0 0 0 0 0 0 6.3738 6.1065 0.2662 H 0 0 0 0 0 0 0 0 0 2.8754 8.3187 -0.6926 H 0 0 0 0 0 0 0 0 0 3.1860 9.5538 1.1556 H 0 0 0 0 0 0 0 0 0 6.0496 8.9070 -0.4564 H 0 0 0 0 0 0 0 0 0 6.4807 7.6697 -1.6215 H 0 0 0 0 0 0 0 0 0 5.7698 9.7316 -2.7196 H 0 0 0 0 0 0 0 0 0 4.6630 8.4242 -3.1065 H 0 0 0 0 0 0 0 0 0 4.2096 9.6538 -1.9253 H 0 0 0 0 0 0 0 0 0 3.8016 6.6004 -2.1314 H 0 0 0 0 0 0 0 0 0 5.8643 3.2620 1.5548 H 0 0 0 0 0 0 0 0 0 6.9036 6.3015 3.1570 H 0 0 0 0 0 0 0 0 0 7.9257 5.6324 5.2232 H 0 0 0 0 0 0 0 0 0 5.6368 4.9603 4.8319 H 0 0 0 0 0 0 0 0 0 5.1172 2.7771 3.7787 H 0 0 0 0 0 0 0 0 0 6.8409 2.4498 3.6341 H 0 0 0 0 0 0 0 0 0 4.3854 3.8656 6.7384 H 0 0 0 0 0 0 0 0 0 4.5308 2.4376 5.7284 H 0 0 0 0 0 0 0 0 0 4.0890 1.8387 8.0466 H 0 0 0 0 0 0 0 0 0 5.6354 1.2166 7.4970 H 0 0 0 0 0 0 0 0 0 7.4853 3.7059 9.2940 H 0 0 0 0 0 0 0 0 0 7.6366 2.3112 8.2400 H 0 0 0 0 0 0 0 0 0 8.0588 4.3219 6.9940 H 0 0 0 0 0 0 0 0 0 6.5250 5.0268 7.4997 H 0 0 0 0 0 0 0 0 0 9.6110 4.2925 4.4952 H 0 0 0 0 0 0 0 0 0 8.8209 6.6851 1.7465 H 0 0 0 0 0 0 0 0 0 9.2791 6.9026 3.4338 H 0 0 0 0 0 0 0 0 0 9.7320 5.4303 2.5680 H 0 0 0 0 0 0 0 0 0 -0.9362 2.5484 4.7926 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 2 3 2 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 45 1 0 0 0 0 4 42 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 16 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 18 1 0 0 0 0 13 14 2 0 0 0 0 14 19 1 0 0 0 0 14 15 1 0 0 0 0 15 22 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 27 1 1 0 0 0 19 20 1 0 0 0 0 19 48 1 6 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 26 1 6 0 0 0 21 22 1 1 0 0 0 21 24 1 0 0 0 0 22 23 1 1 0 0 0 22 51 1 6 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 1 0 0 0 28 59 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 30 41 1 6 0 0 0 30 60 1 0 0 0 0 31 40 1 6 0 0 0 31 32 1 0 0 0 0 31 61 1 1 0 0 0 32 34 1 1 0 0 0 32 33 1 6 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 M END > 619003 > K $$$$ 619165 1016 111283D 619165 50 52 1 1 V2000 2.2307 4.5302 -3.5700 C 0 0 0 0 0 0 0 0 0 2.7251 3.7784 -4.6318 C 0 0 0 0 0 0 0 0 0 4.0667 3.8571 -4.9998 C 0 0 0 0 0 0 0 0 0 4.9444 4.6909 -4.3135 C 0 0 0 0 0 0 0 0 0 4.4448 5.4377 -3.2586 C 0 0 0 0 0 0 0 0 0 3.1132 5.3593 -2.8923 C 0 0 0 0 0 0 0 0 0 2.9198 6.2106 -1.8187 C 0 0 0 0 0 0 0 0 0 4.1384 6.8029 -1.5408 C 0 0 0 0 0 0 0 0 0 5.0903 6.3284 -2.4280 N 0 0 0 0 0 0 0 0 0 4.2922 7.7999 -0.4240 C 0 0 1 0 0 0 0 0 0 3.1091 7.7929 0.4428 N 0 0 0 0 0 0 0 0 0 1.8275 7.8107 -0.2635 C 0 0 0 0 0 0 0 0 0 1.6696 6.4990 -1.0378 C 0 0 0 0 0 0 0 0 0 5.5351 7.5382 0.4260 C 0 0 0 0 0 0 0 0 0 5.5584 6.1349 1.0373 C 0 0 0 0 0 0 0 0 0 6.7904 5.9899 1.8951 C 0 0 0 0 0 0 0 0 0 6.6494 6.3675 3.6916 Si 0 0 0 0 0 0 0 0 0 6.1282 8.1158 3.9729 C 0 0 0 0 0 0 0 0 0 5.3922 5.2833 4.4988 C 0 0 0 0 0 0 0 0 0 8.2408 6.1208 4.5959 C 0 0 0 0 0 0 0 0 0 7.9728 5.5993 1.3918 C 0 0 0 0 0 0 0 0 0 8.1708 5.2719 -0.0599 C 0 0 0 0 0 0 0 0 0 1.2204 4.4725 -3.2894 H 0 0 0 0 0 0 0 0 0 2.0782 3.1433 -5.1628 H 0 0 0 0 0 0 0 0 0 4.4202 3.2809 -5.8041 H 0 0 0 0 0 0 0 0 0 5.9565 4.7566 -4.5826 H 0 0 0 0 0 0 0 0 0 6.0261 6.5744 -2.4552 H 0 0 0 0 0 0 0 0 0 4.3900 8.7715 -0.8896 H 0 0 0 0 0 0 0 0 0 3.1686 8.5047 1.1458 H 0 0 0 0 0 0 0 0 0 1.0058 7.9023 0.4351 H 0 0 0 0 0 0 0 0 0 1.7878 8.6462 -0.9517 H 0 0 0 0 0 0 0 0 0 0.8140 6.5489 -1.6943 H 0 0 0 0 0 0 0 0 0 1.5351 5.6965 -0.3276 H 0 0 0 0 0 0 0 0 0 6.4065 7.6642 -0.1984 H 0 0 0 0 0 0 0 0 0 5.5752 8.2812 1.2082 H 0 0 0 0 0 0 0 0 0 4.6673 5.9980 1.6350 H 0 0 0 0 0 0 0 0 0 5.5425 5.3865 0.2572 H 0 0 0 0 0 0 0 0 0 5.1538 8.2585 3.5337 H 0 0 0 0 0 0 0 0 0 6.0865 8.2956 5.0355 H 0 0 0 0 0 0 0 0 0 6.8505 8.7696 3.5102 H 0 0 0 0 0 0 0 0 0 5.6899 4.2545 4.3708 H 0 0 0 0 0 0 0 0 0 5.3424 5.5303 5.5474 H 0 0 0 0 0 0 0 0 0 4.4356 5.4536 4.0304 H 0 0 0 0 0 0 0 0 0 8.9855 6.7780 4.1759 H 0 0 0 0 0 0 0 0 0 8.0822 6.3558 5.6365 H 0 0 0 0 0 0 0 0 0 8.5438 5.0910 4.4908 H 0 0 0 0 0 0 0 0 0 8.8011 5.5149 2.0338 H 0 0 0 0 0 0 0 0 0 7.9724 6.1414 -0.6671 H 0 0 0 0 0 0 0 0 0 9.1914 4.9585 -0.2235 H 0 0 0 0 0 0 0 0 0 7.5098 4.4689 -0.3522 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 10 28 1 6 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 M END > 619165 > K $$$$ 619179 1016 111283D 619179 133150 1 2 V2000 -0.2783 -0.3523 -0.6493 N 0 2 1 0 0 0 0 0 0 -1.2416 0.3855 -0.4883 C 0 0 0 0 0 0 0 0 0 -1.1814 1.6906 -0.8261 C 0 0 0 0 0 0 0 0 0 0.0251 2.2894 -1.4181 C 0 0 0 0 0 0 0 0 0 1.1502 1.4622 -1.5218 C 0 0 0 0 0 0 0 0 0 0.9549 0.1685 -0.9892 C 0 0 0 0 0 0 0 0 0 1.9632 -0.6331 -0.7775 C 0 0 0 0 0 0 0 0 0 1.6494 -1.8385 -0.1750 N 0 2 1 0 0 0 0 0 0 2.5065 -2.4384 0.4572 C 0 0 0 0 0 0 0 0 0 3.8175 -2.2156 0.1962 C 0 0 0 0 0 0 0 0 0 4.2522 -1.1932 -0.7655 C 0 0 0 0 0 0 0 0 0 3.2687 -0.2911 -1.1945 C 0 0 0 0 0 0 0 0 0 3.4441 0.8844 -1.9432 C 0 0 0 0 0 0 0 0 0 2.3963 1.7557 -2.1006 C 0 0 0 0 0 0 0 0 0 0.0387 3.6845 -1.8717 C 0 0 0 0 0 0 0 0 0 -1.0371 4.1959 -2.6051 C 0 0 0 0 0 0 0 0 0 -1.0170 5.5082 -3.0274 C 0 0 0 0 0 0 0 0 0 1.1252 4.5122 -1.5680 C 0 0 0 0 0 0 0 0 0 1.1302 5.8219 -1.9973 C 0 0 0 0 0 0 0 0 0 0.0641 6.3191 -2.7278 C 0 0 0 0 0 0 0 0 0 5.6368 -1.1321 -1.2459 C 0 0 0 0 0 0 0 0 0 6.6971 -1.3788 -0.3676 C 0 0 0 0 0 0 0 0 0 7.9959 -1.3199 -0.8270 C 0 0 0 0 0 0 0 0 0 8.2517 -1.0173 -2.1533 C 0 0 0 0 0 0 0 0 0 7.2074 -0.7715 -3.0287 C 0 0 0 0 0 0 0 0 0 5.9034 -0.8326 -2.5864 C 0 0 0 0 0 0 0 0 0 0.2971 -3.1028 1.8820 N 0 2 1 0 0 0 0 0 0 0.8177 -2.8240 2.9451 C 0 0 0 0 0 0 0 0 0 0.3630 -3.3533 4.1007 C 0 0 0 0 0 0 0 0 0 -0.7711 -4.2933 4.1499 C 0 0 0 0 0 0 0 0 0 -1.4145 -4.5646 2.9350 C 0 0 0 0 0 0 0 0 0 -0.8562 -3.8679 1.8506 C 0 0 0 0 0 0 0 0 0 -1.3873 -3.8925 0.6565 C 0 0 0 0 0 0 0 0 0 -0.6798 -3.1206 -0.2539 N 0 2 1 0 0 0 0 0 0 -1.1750 -2.8566 -1.3369 C 0 0 0 0 0 0 0 0 0 -2.3490 -3.4020 -1.7225 C 0 0 0 0 0 0 0 0 0 -3.0805 -4.3731 -0.8898 C 0 0 0 0 0 0 0 0 0 -2.5578 -4.6200 0.3868 C 0 0 0 0 0 0 0 0 0 -3.0483 -5.4577 1.4030 C 0 0 0 0 0 0 0 0 0 -2.4875 -5.4279 2.6581 C 0 0 0 0 0 0 0 0 0 -2.5541 -5.0170 5.7207 C 0 0 0 0 0 0 0 0 0 -1.1941 -4.9100 5.4116 C 0 0 0 0 0 0 0 0 0 -0.2393 -5.3948 6.3122 C 0 0 0 0 0 0 0 0 0 -2.9436 -5.5984 6.9087 C 0 0 0 0 0 0 0 0 0 -1.9930 -6.0760 7.7942 C 0 0 0 0 0 0 0 0 0 -0.6448 -5.9735 7.4957 C 0 0 0 0 0 0 0 0 0 -5.4152 -5.1561 -0.5649 C 0 0 0 0 0 0 0 0 0 -6.5470 -5.7853 -1.0385 C 0 0 0 0 0 0 0 0 0 -6.5700 -6.3023 -2.3223 C 0 0 0 0 0 0 0 0 0 -5.4587 -6.1920 -3.1410 C 0 0 0 0 0 0 0 0 0 -4.3199 -5.5654 -2.6825 C 0 0 0 0 0 0 0 0 0 -4.2885 -5.0405 -1.3859 C 0 0 0 0 0 0 0 0 0 0.6421 -0.3695 1.9743 N 0 2 1 0 0 0 0 0 0 1.8028 -0.0363 1.7985 C 0 0 0 0 0 0 0 0 0 2.1831 1.2492 1.9488 C 0 0 0 0 0 0 0 0 0 1.2334 2.3052 2.3363 C 0 0 0 0 0 0 0 0 0 -0.1098 1.9304 2.4650 C 0 0 0 0 0 0 0 0 0 -0.3498 0.5762 2.1549 C 0 0 0 0 0 0 0 0 0 -1.5625 0.1140 2.0032 C 0 0 0 0 0 0 0 0 0 -1.6371 -1.2113 1.6007 N 0 2 1 0 0 0 0 0 0 -2.6423 -1.5921 1.0149 C 0 0 0 0 0 0 0 0 0 -3.8147 -0.9350 1.1647 C 0 0 0 0 0 0 0 0 0 -3.9079 0.3178 1.9287 C 0 0 0 0 0 0 0 0 0 -2.6884 0.9210 2.2683 C 0 0 0 0 0 0 0 0 0 -2.4767 2.2094 2.7873 C 0 0 0 0 0 0 0 0 0 -1.2029 2.7106 2.8773 C 0 0 0 0 0 0 0 0 0 2.8939 3.9178 3.2391 C 0 0 0 0 0 0 0 0 0 1.6874 3.6802 2.5715 C 0 0 0 0 0 0 0 0 0 0.9168 4.7605 2.1291 C 0 0 0 0 0 0 0 0 0 3.3139 5.2126 3.4558 C 0 0 0 0 0 0 0 0 0 2.5456 6.2766 3.0144 C 0 0 0 0 0 0 0 0 0 1.3507 6.0498 2.3535 C 0 0 0 0 0 0 0 0 0 -7.4682 1.4696 1.7479 C 0 0 0 0 0 0 0 0 0 -6.2550 0.9236 1.3857 C 0 0 0 0 0 0 0 0 0 -5.2018 0.8969 2.3058 C 0 0 0 0 0 0 0 0 0 -5.3889 1.4249 3.5880 C 0 0 0 0 0 0 0 0 0 -6.6079 1.9668 3.9349 C 0 0 0 0 0 0 0 0 0 -7.6454 1.9900 3.0183 C 0 0 0 0 0 0 0 0 0 -0.0110 -1.6304 0.7162 Rh 0 7 0 0 0 0 0 0 0 -0.5454 -0.8604 -1.4969 H 0 0 0 0 0 0 0 0 0 -2.1959 0.0105 -0.1540 H 0 0 0 0 0 0 0 0 0 -2.0542 2.3110 -0.6545 H 0 0 0 0 0 0 0 0 0 1.4505 -2.4632 -0.9758 H 0 0 0 0 0 0 0 0 0 2.3243 -3.1248 1.2621 H 0 0 0 0 0 0 0 0 0 4.5518 -2.8158 0.7189 H 0 0 0 0 0 0 0 0 0 4.3979 1.1068 -2.3990 H 0 0 0 0 0 0 0 0 0 2.5368 2.6615 -2.6709 H 0 0 0 0 0 0 0 0 0 -1.8810 3.5642 -2.8403 H 0 0 0 0 0 0 0 0 0 -1.8469 5.9045 -3.5938 H 0 0 0 0 0 0 0 0 0 1.9575 4.1260 -0.9983 H 0 0 0 0 0 0 0 0 0 1.9678 6.4623 -1.7634 H 0 0 0 0 0 0 0 0 0 0.0742 7.3460 -3.0619 H 0 0 0 0 0 0 0 0 0 6.4992 -1.6142 0.6677 H 0 0 0 0 0 0 0 0 0 8.8157 -1.5101 -0.1501 H 0 0 0 0 0 0 0 0 0 9.2711 -0.9723 -2.5069 H 0 0 0 0 0 0 0 0 0 7.4152 -0.5357 -4.0620 H 0 0 0 0 0 0 0 0 0 5.0899 -0.6450 -3.2715 H 0 0 0 0 0 0 0 0 0 0.9376 -3.7370 1.3878 H 0 0 0 0 0 0 0 0 0 1.6908 -2.1817 2.9915 H 0 0 0 0 0 0 0 0 0 0.8583 -3.0742 5.0248 H 0 0 0 0 0 0 0 0 0 0.1484 -3.6931 -0.4781 H 0 0 0 0 0 0 0 0 0 -0.6247 -2.2999 -2.0875 H 0 0 0 0 0 0 0 0 0 -2.7669 -3.1080 -2.6781 H 0 0 0 0 0 0 0 0 0 -3.8594 -6.1430 1.2064 H 0 0 0 0 0 0 0 0 0 -2.8727 -6.0894 3.4207 H 0 0 0 0 0 0 0 0 0 -3.2969 -4.6412 5.0327 H 0 0 0 0 0 0 0 0 0 0.8127 -5.3161 6.0805 H 0 0 0 0 0 0 0 0 0 -3.9933 -5.6818 7.1488 H 0 0 0 0 0 0 0 0 0 -2.3044 -6.5302 8.7232 H 0 0 0 0 0 0 0 0 0 0.0910 -6.3482 8.1919 H 0 0 0 0 0 0 0 0 0 -5.4002 -4.7496 0.4355 H 0 0 0 0 0 0 0 0 0 -7.4177 -5.8755 -0.4060 H 0 0 0 0 0 0 0 0 0 -7.4591 -6.7947 -2.6873 H 0 0 0 0 0 0 0 0 0 -5.4844 -6.5980 -4.1416 H 0 0 0 0 0 0 0 0 0 -3.4537 -5.4807 -3.3220 H 0 0 0 0 0 0 0 0 0 0.6450 -0.8361 2.8906 H 0 0 0 0 0 0 0 0 0 2.5786 -0.7565 1.5819 H 0 0 0 0 0 0 0 0 0 3.2223 1.5073 1.7817 H 0 0 0 0 0 0 0 0 0 -1.6280 -1.7435 2.4804 H 0 0 0 0 0 0 0 0 0 -2.6437 -2.4088 0.3179 H 0 0 0 0 0 0 0 0 0 -4.7024 -1.3545 0.7057 H 0 0 0 0 0 0 0 0 0 -3.3088 2.8152 3.1161 H 0 0 0 0 0 0 0 0 0 -1.0490 3.7056 3.2671 H 0 0 0 0 0 0 0 0 0 3.4923 3.0890 3.5878 H 0 0 0 0 0 0 0 0 0 -0.0153 4.5851 1.6126 H 0 0 0 0 0 0 0 0 0 4.2447 5.3977 3.9714 H 0 0 0 0 0 0 0 0 0 2.8801 7.2888 3.1872 H 0 0 0 0 0 0 0 0 0 0.7569 6.8849 2.0125 H 0 0 0 0 0 0 0 0 0 -8.2810 1.4951 1.0372 H 0 0 0 0 0 0 0 0 0 -6.1183 0.5177 0.3943 H 0 0 0 0 0 0 0 0 0 -4.5806 1.4075 4.3041 H 0 0 0 0 0 0 0 0 0 -6.7540 2.3748 4.9241 H 0 0 0 0 0 0 0 0 0 -8.5980 2.4164 3.2960 H 0 0 0 0 0 0 0 0 0 1 79 1 6 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 80 1 1 0 0 0 2 3 1 0 0 0 0 2 81 1 0 0 0 0 3 4 2 0 0 0 0 3 82 1 0 0 0 0 4 15 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 79 1 0 0 0 0 8 9 1 0 0 0 0 8 83 1 1 0 0 0 9 10 2 0 0 0 0 9 84 1 0 0 0 0 10 11 1 0 0 0 0 10 85 1 0 0 0 0 11 21 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 86 1 0 0 0 0 14 87 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 17 2 0 0 0 0 16 88 1 0 0 0 0 17 20 1 0 0 0 0 17 89 1 0 0 0 0 18 19 1 0 0 0 0 18 90 1 0 0 0 0 19 20 2 0 0 0 0 19 91 1 0 0 0 0 20 92 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 93 1 0 0 0 0 23 24 2 0 0 0 0 23 94 1 0 0 0 0 24 25 1 0 0 0 0 24 95 1 0 0 0 0 25 26 2 0 0 0 0 25 96 1 0 0 0 0 26 97 1 0 0 0 0 27 79 1 1 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 27 98 1 0 0 0 0 28 29 1 0 0 0 0 28 99 1 0 0 0 0 29 30 2 0 0 0 0 29100 1 0 0 0 0 30 42 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 40 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 38 1 0 0 0 0 34 79 1 6 0 0 0 34 35 1 0 0 0 0 34101 1 0 0 0 0 35 36 2 0 0 0 0 35102 1 0 0 0 0 36 37 1 0 0 0 0 36103 1 0 0 0 0 37 52 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39104 1 0 0 0 0 40105 1 0 0 0 0 41 42 1 0 0 0 0 41 44 2 0 0 0 0 41106 1 0 0 0 0 42 43 2 0 0 0 0 43 46 1 0 0 0 0 43107 1 0 0 0 0 44 45 1 0 0 0 0 44108 1 0 0 0 0 45 46 2 0 0 0 0 45109 1 0 0 0 0 46110 1 0 0 0 0 47 52 1 0 0 0 0 47 48 2 0 0 0 0 47111 1 0 0 0 0 48 49 1 0 0 0 0 48112 1 0 0 0 0 49 50 2 0 0 0 0 49113 1 0 0 0 0 50 51 1 0 0 0 0 50114 1 0 0 0 0 51 52 2 0 0 0 0 51115 1 0 0 0 0 53 79 1 1 0 0 0 53 54 2 0 0 0 0 53 58 1 0 0 0 0 53116 1 6 0 0 0 54 55 1 0 0 0 0 54117 1 0 0 0 0 55 56 2 0 0 0 0 55118 1 0 0 0 0 56 68 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 66 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 59 64 1 0 0 0 0 60 79 1 0 0 0 0 60 61 1 0 0 0 0 60119 1 6 0 0 0 61 62 2 0 0 0 0 61120 1 0 0 0 0 62 63 1 0 0 0 0 62121 1 0 0 0 0 63 75 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65122 1 0 0 0 0 66123 1 0 0 0 0 67 68 1 0 0 0 0 67 70 2 0 0 0 0 67124 1 0 0 0 0 68 69 2 0 0 0 0 69 72 1 0 0 0 0 69125 1 0 0 0 0 70 71 1 0 0 0 0 70126 1 0 0 0 0 71 72 2 0 0 0 0 71127 1 0 0 0 0 72128 1 0 0 0 0 73 74 2 0 0 0 0 73 78 1 0 0 0 0 73129 1 0 0 0 0 74 75 1 0 0 0 0 74130 1 0 0 0 0 75 76 2 0 0 0 0 76 77 1 0 0 0 0 76131 1 0 0 0 0 77 78 2 0 0 0 0 77132 1 0 0 0 0 78133 1 0 0 0 0 M CHG 7 1 2 8 2 27 2 34 2 53 2 60 2 79 -3 M END > 619179 > K $$$$ 619860 1016 111283D 619860 24 26 0 1 V2000 -0.0167 1.3837 0.0096 C 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 1.2306 -0.6970 -0.0127 C 0 0 0 0 0 0 0 0 0 2.4281 0.0046 -0.0212 C 0 0 0 0 0 0 0 0 0 2.4092 1.3928 -0.0146 C 0 0 0 0 0 0 0 0 0 1.1810 2.0855 0.0020 C 0 0 0 0 0 0 0 0 0 1.5192 3.5280 0.0064 C 0 0 0 0 0 0 0 0 0 2.8553 3.6272 -0.3583 N 0 0 0 0 0 0 0 0 0 3.4687 2.4284 -0.0213 C 0 0 0 0 0 0 0 0 0 4.7309 2.2494 0.2412 N 0 0 0 0 0 0 0 0 0 0.7183 4.5122 0.2960 N 0 0 0 0 0 0 0 0 0 -1.0573 -1.0397 0.0060 C 0 0 0 0 0 0 0 0 0 -0.4505 -2.2350 -0.3562 N 0 0 0 0 0 0 0 0 0 0.8924 -2.1394 -0.0162 C 0 0 0 0 0 0 0 0 0 1.6985 -3.1265 0.2482 N 0 0 0 0 0 0 0 0 0 -2.3143 -0.8633 0.2939 N 0 0 0 0 0 0 0 0 0 -0.9574 1.9143 0.0170 H 0 0 0 0 0 0 0 0 0 3.3687 -0.5260 -0.0326 H 0 0 0 0 0 0 0 0 0 3.2818 4.3931 -0.7735 H 0 0 0 0 0 0 0 0 0 5.3443 3.0001 0.2084 H 0 0 0 0 0 0 0 0 0 1.0430 5.4259 0.2681 H 0 0 0 0 0 0 0 0 0 -0.8850 -2.9970 -0.7705 H 0 0 0 0 0 0 0 0 0 1.3732 -4.0398 0.2175 H 0 0 0 0 0 0 0 0 0 -2.9282 -1.6138 0.2659 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 M END > 619860 > K $$$$ 619907 1016 111283D 619907 35 38 0 2 V2000 -2.5964 -0.3179 0.7718 Mn 0 1 0 0 0 0 0 0 0 -2.2749 -1.8174 1.3590 O 0 2 0 0 0 0 0 0 0 -1.1114 -0.6108 0.2056 O 0 2 0 0 0 0 0 0 0 0.0975 1.3981 0.0439 C 0 0 0 0 0 0 0 0 0 0.1155 0.0256 0.0751 C 0 0 0 0 0 0 0 0 0 1.2243 2.2143 0.0002 C 0 0 0 0 0 0 0 0 0 2.4580 1.5742 0.0039 C 0 0 0 0 0 0 0 0 0 2.5227 0.1889 -0.0117 C 0 0 0 0 0 0 0 0 0 1.3721 -0.5813 -0.0526 C 0 0 0 0 0 0 0 0 0 -3.9419 -2.8933 0.2516 C 0 0 0 0 0 0 0 0 0 -4.5076 -3.8603 -0.5609 C 0 0 0 0 0 0 0 0 0 -3.7036 -4.9532 -0.8665 C 0 0 0 0 0 0 0 0 0 -2.4526 -5.1188 -0.2762 C 0 0 0 0 0 0 0 0 0 -1.9724 -4.2013 0.6508 C 0 0 0 0 0 0 0 0 0 -2.6756 -3.0025 0.7765 C 0 0 0 0 0 0 0 0 0 -1.8933 -2.3044 2.1286 H 0 0 0 0 0 0 0 0 0 -0.6932 -1.2804 -0.3210 H 0 0 0 0 0 0 0 0 0 4.2706 2.6559 0.0278 I 0 0 0 0 0 0 0 0 0 1.6820 -2.6435 -0.3209 I 0 0 0 0 0 0 0 0 0 -4.3855 -6.3919 -2.2440 I 0 0 0 0 0 0 0 0 0 -0.2546 -4.6843 1.7754 I 0 0 0 0 0 0 0 0 0 -4.4614 -1.5909 0.7507 C 0 0 0 0 0 0 0 0 0 -5.4798 -1.0534 0.7765 O 0 0 0 0 0 0 0 0 0 -3.8558 -0.5726 1.3485 O 0 3 0 0 0 0 0 0 0 -1.3402 1.6829 0.0538 C 0 0 0 0 0 0 0 0 0 -2.3888 0.8789 0.0665 O 0 3 0 0 0 0 0 0 0 -1.9833 2.6486 0.0553 O 0 0 0 0 0 0 0 0 0 -1.8447 -1.4555 2.1695 H 0 0 0 0 0 0 0 0 0 -1.4182 -1.3968 -0.1718 H 0 0 0 0 0 0 0 0 0 1.1847 3.2731 -0.0352 H 0 0 0 0 0 0 0 0 0 3.4749 -0.2656 0.0034 H 0 0 0 0 0 0 0 0 0 -5.4952 -3.7910 -0.9429 H 0 0 0 0 0 0 0 0 0 -1.8774 -5.9677 -0.5506 H 0 0 0 0 0 0 0 0 0 -4.3862 -0.0906 2.0224 H 0 0 0 0 0 0 0 0 0 -3.1026 1.2818 -0.4492 H 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 26 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 2 28 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 29 1 0 0 0 0 4 25 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 18 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 19 1 0 0 0 0 10 22 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 20 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 21 1 0 0 0 0 14 15 2 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 35 1 0 0 0 0 M CHG 5 1 3 2 2 3 2 24 1 26 1 M END > 619907 > K $$$$ 620050 1016 111283D 620050 23 23 0 1 V2000 2.5891 8.1122 -1.6313 C 0 0 0 0 0 0 0 0 0 1.9340 8.0301 -2.8582 C 0 0 0 0 0 0 0 0 0 1.4814 6.7986 -3.3278 C 0 0 0 0 0 0 0 0 0 1.6805 5.6485 -2.5732 C 0 0 0 0 0 0 0 0 0 2.3327 5.7433 -1.3440 C 0 0 0 0 0 0 0 0 0 2.7902 6.9637 -0.8709 C 0 0 0 0 0 0 0 0 0 2.5879 4.2787 -0.3858 S 0 0 0 0 0 0 0 0 0 1.3373 3.6203 -0.5915 O 0 0 0 0 0 0 0 0 0 3.6517 3.3313 -1.5058 C 0 0 0 0 0 0 0 0 0 4.9054 4.1150 -1.7839 C 0 0 0 0 0 0 0 0 0 5.8468 4.0359 -1.0310 O 0 0 0 0 0 0 0 0 0 4.9795 4.9175 -2.8870 O 0 0 0 0 0 0 0 0 0 6.1337 5.7272 -3.0767 C 0 0 0 0 0 0 0 0 0 2.9330 9.0441 -1.2765 H 0 0 0 0 0 0 0 0 0 1.7809 8.9022 -3.4331 H 0 0 0 0 0 0 0 0 0 0.9861 6.7366 -4.2570 H 0 0 0 0 0 0 0 0 0 1.3403 4.7136 -2.9224 H 0 0 0 0 0 0 0 0 0 3.2836 7.0213 0.0599 H 0 0 0 0 0 0 0 0 0 3.9028 2.3882 -1.0446 H 0 0 0 0 0 0 0 0 0 3.1180 3.1550 -2.4327 H 0 0 0 0 0 0 0 0 0 7.0268 5.1155 -3.1529 H 0 0 0 0 0 0 0 0 0 6.0240 6.2960 -4.0022 H 0 0 0 0 0 0 0 0 0 6.2505 6.4274 -2.2555 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M END > 620050 > K $$$$ 620261 1016 111283D 620261 35 35 1 1 V2000 2.8720 -7.6533 0.5852 C 0 0 0 0 0 0 0 0 0 3.1052 -8.6162 -0.3877 C 0 0 0 0 0 0 0 0 0 2.6849 -8.3996 -1.6933 C 0 0 0 0 0 0 0 0 0 2.0281 -7.2214 -2.0300 C 0 0 0 0 0 0 0 0 0 1.7996 -6.2573 -1.0547 C 0 0 0 0 0 0 0 0 0 2.2201 -6.4736 0.2512 C 0 0 0 0 0 0 0 0 0 1.5733 -6.9982 -3.4449 C 0 0 0 0 0 0 0 0 0 2.7570 -6.5623 -4.2532 C 0 0 0 0 0 0 0 0 0 3.2392 -7.3205 -5.0585 O 0 0 0 0 0 0 0 0 0 3.3000 -5.3280 -4.0935 N 0 0 0 0 0 0 0 0 0 4.4570 -4.9362 -4.8581 C 0 0 1 0 0 0 0 0 0 4.0415 -4.4186 -6.2071 C 0 0 0 0 0 0 0 0 0 2.8435 -4.3746 -6.5217 O 0 0 0 0 0 0 0 0 0 4.9768 -3.9948 -7.0903 O 0 0 0 0 0 0 0 0 0 5.2708 -3.8678 -4.1192 C 0 0 0 0 0 0 0 0 0 5.6992 -4.3118 -2.7189 C 0 0 0 0 0 0 0 0 0 6.4798 -5.5890 -2.7985 C 0 0 0 0 0 0 0 0 0 7.6147 -5.5704 -3.2055 O 0 0 0 0 0 0 0 0 0 5.9431 -6.7737 -2.4283 N 0 0 0 0 0 0 0 0 0 3.1887 -7.8177 1.5733 H 0 0 0 0 0 0 0 0 0 3.5993 -9.5086 -0.1366 H 0 0 0 0 0 0 0 0 0 2.8654 -9.1310 -2.4262 H 0 0 0 0 0 0 0 0 0 1.3075 -5.3620 -1.2999 H 0 0 0 0 0 0 0 0 0 2.0448 -5.7448 0.9872 H 0 0 0 0 0 0 0 0 0 1.1825 -7.9163 -3.8585 H 0 0 0 0 0 0 0 0 0 0.8062 -6.2394 -3.4925 H 0 0 0 0 0 0 0 0 0 2.8987 -4.7102 -3.4632 H 0 0 0 0 0 0 0 0 0 5.0955 -5.7915 -5.0380 H 0 0 0 0 0 0 0 0 0 4.5138 -3.7546 -7.8844 H 0 0 0 0 0 0 0 0 0 6.1584 -3.6441 -4.6952 H 0 0 0 0 0 0 0 0 0 4.6824 -2.9653 -4.0317 H 0 0 0 0 0 0 0 0 0 6.3265 -3.5501 -2.2795 H 0 0 0 0 0 0 0 0 0 4.8334 -4.4518 -2.0885 H 0 0 0 0 0 0 0 0 0 6.4849 -7.5749 -2.4909 H 0 0 0 0 0 0 0 0 0 5.0314 -6.8284 -2.1048 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 6 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 620261 > K $$$$ 620277 1016 111283D 620277 41 42 0 1 V2000 -4.5151 1.9961 3.6649 C 0 0 0 0 0 0 0 0 0 -3.7369 0.8613 3.9197 C 0 0 0 0 0 0 0 0 0 -2.9477 0.3327 2.9237 C 0 0 0 0 0 0 0 0 0 -2.9229 0.9250 1.6646 C 0 0 0 0 0 0 0 0 0 -3.6957 2.0541 1.4069 C 0 0 0 0 0 0 0 0 0 -4.4874 2.5889 2.3971 C 0 0 0 0 0 0 0 0 0 -2.1229 0.3875 0.6601 N 0 0 0 0 0 0 0 0 0 -1.3372 1.2728 -0.2031 C 0 0 0 0 0 0 0 0 0 -2.0668 -1.0635 0.4663 C 0 0 0 0 0 0 0 0 0 -2.4722 -1.4023 -0.9696 C 0 0 0 0 0 0 0 0 0 -3.1532 -2.7072 -0.9923 C 0 0 0 0 0 0 0 0 0 -0.4960 2.2136 0.6619 C 0 0 0 0 0 0 0 0 0 0.6225 2.7438 -0.1347 C 0 0 0 0 0 0 0 0 0 -3.6788 -3.7141 -1.0099 N 0 0 0 0 0 0 0 0 0 1.4857 3.1530 -0.7495 N 0 0 0 0 0 0 0 0 0 -5.8812 -0.5332 6.2591 C 0 0 0 0 0 0 0 0 0 -5.3644 2.5607 4.7241 C 0 0 0 0 0 0 0 0 0 -5.8497 1.7853 5.6533 N 0 0 0 0 0 0 0 0 0 -6.1840 0.4912 5.3590 C 0 0 0 0 0 0 0 0 0 -6.8289 0.1897 4.1576 C 0 0 0 0 0 0 0 0 0 -7.1630 -1.1164 3.8663 C 0 0 0 0 0 0 0 0 0 -6.8604 -2.1283 4.7633 C 0 0 0 0 0 0 0 0 0 -7.1905 -3.4058 4.4728 F 0 0 0 0 0 0 0 0 0 -6.2209 -1.8350 5.9576 C 0 0 0 0 0 0 0 0 0 -3.7553 0.4012 4.8966 H 0 0 0 0 0 0 0 0 0 -2.3466 -0.5430 3.1196 H 0 0 0 0 0 0 0 0 0 -3.6733 2.5110 0.4287 H 0 0 0 0 0 0 0 0 0 -5.0868 3.4646 2.1964 H 0 0 0 0 0 0 0 0 0 -0.6801 0.6750 -0.8346 H 0 0 0 0 0 0 0 0 0 -2.0091 1.8591 -0.8300 H 0 0 0 0 0 0 0 0 0 -1.0518 -1.4156 0.6499 H 0 0 0 0 0 0 0 0 0 -2.7513 -1.5497 1.1614 H 0 0 0 0 0 0 0 0 0 -3.1465 -0.6339 -1.3477 H 0 0 0 0 0 0 0 0 0 -1.5824 -1.4459 -1.5977 H 0 0 0 0 0 0 0 0 0 -1.1169 3.0388 1.0109 H 0 0 0 0 0 0 0 0 0 -0.1042 1.6660 1.5190 H 0 0 0 0 0 0 0 0 0 -5.3789 -0.3064 7.1880 H 0 0 0 0 0 0 0 0 0 -5.5862 3.6176 4.7324 H 0 0 0 0 0 0 0 0 0 -7.0659 0.9776 3.4581 H 0 0 0 0 0 0 0 0 0 -7.6617 -1.3508 2.9374 H 0 0 0 0 0 0 0 0 0 -5.9869 -2.6280 6.6525 H 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 3 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 3 0 0 0 0 16 19 1 0 0 0 0 16 24 2 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 41 1 0 0 0 0 M END > 620277 > K $$$$ 620279 1016 111283D 620279 50 51 0 1 V2000 -3.6874 5.8397 3.7935 C 0 0 0 0 0 0 0 0 0 -2.5695 5.9588 2.9785 C 0 0 0 0 0 0 0 0 0 -1.3716 5.3614 3.3460 C 0 0 0 0 0 0 0 0 0 -1.2744 4.6310 4.5256 C 0 0 0 0 0 0 0 0 0 -2.4022 4.5118 5.3324 C 0 0 0 0 0 0 0 0 0 -3.6003 5.1138 4.9742 C 0 0 0 0 0 0 0 0 0 -0.0900 4.0423 4.8832 N 0 0 0 0 0 0 0 0 0 0.3838 4.1355 6.2461 C 0 0 0 0 0 0 0 0 0 0.7024 3.3249 3.9100 C 0 0 0 0 0 0 0 0 0 -0.0321 2.0430 3.5137 C 0 0 0 0 0 0 0 0 0 0.7526 1.2628 2.5065 C 0 0 0 0 0 0 0 0 0 1.2463 5.3903 6.3974 C 0 0 0 0 0 0 0 0 0 0.4708 6.6311 6.0734 C 0 0 0 0 0 0 0 0 0 1.3617 0.6548 1.7232 N 0 0 0 0 0 0 0 0 0 -0.1327 7.5923 5.8154 N 0 0 0 0 0 0 0 0 0 -4.9745 6.4930 3.3887 C 0 0 0 0 0 0 0 0 0 -5.9992 6.3750 4.1007 N 0 0 0 0 0 0 0 0 0 -8.3065 6.1766 3.5855 C 0 0 0 0 0 0 0 0 0 -9.5104 6.7682 3.2295 C 0 0 0 0 0 0 0 0 0 -7.1778 6.9628 3.7734 C 0 0 0 0 0 0 0 0 0 -9.5896 8.1457 3.0639 C 0 0 0 0 0 0 0 0 0 -8.4649 8.9354 3.2700 C 0 0 0 0 0 0 0 0 0 -7.2607 8.3424 3.6266 C 0 0 0 0 0 0 0 0 0 -10.8889 8.7757 2.6629 C 0 0 0 0 0 0 0 0 0 -11.8614 8.0808 2.4850 O 0 0 0 0 0 0 0 0 0 -10.9487 10.1252 2.5055 O 0 0 0 0 0 0 0 0 0 -12.2297 10.5802 2.1265 C 0 0 0 0 0 0 0 0 0 -12.1321 12.0939 1.9921 C 0 0 0 0 0 0 0 0 0 -2.6252 6.5021 2.0814 H 0 0 0 0 0 0 0 0 0 -0.5361 5.4711 2.7221 H 0 0 0 0 0 0 0 0 0 -2.3632 3.9613 6.2239 H 0 0 0 0 0 0 0 0 0 -4.4399 5.0174 5.5988 H 0 0 0 0 0 0 0 0 0 -0.4228 4.1957 6.9612 H 0 0 0 0 0 0 0 0 0 0.9791 3.2712 6.5035 H 0 0 0 0 0 0 0 0 0 0.8814 3.9203 3.0270 H 0 0 0 0 0 0 0 0 0 1.6635 3.0619 4.3296 H 0 0 0 0 0 0 0 0 0 -0.1901 1.4289 4.3881 H 0 0 0 0 0 0 0 0 0 -0.9899 2.2936 3.0831 H 0 0 0 0 0 0 0 0 0 1.6077 5.4664 7.4120 H 0 0 0 0 0 0 0 0 0 2.0909 5.3301 5.7280 H 0 0 0 0 0 0 0 0 0 -5.0051 7.0503 2.4971 H 0 0 0 0 0 0 0 0 0 -8.2469 5.1363 3.7115 H 0 0 0 0 0 0 0 0 0 -10.3641 6.1743 3.0833 H 0 0 0 0 0 0 0 0 0 -8.5196 9.9798 3.1577 H 0 0 0 0 0 0 0 0 0 -6.4091 8.9372 3.7864 H 0 0 0 0 0 0 0 0 0 -12.5251 10.1515 1.1779 H 0 0 0 0 0 0 0 0 0 -12.9651 10.3310 2.8800 H 0 0 0 0 0 0 0 0 0 -11.8308 12.5179 2.9388 H 0 0 0 0 0 0 0 0 0 -11.3937 12.3392 1.2427 H 0 0 0 0 0 0 0 0 0 -13.0897 12.4998 1.7025 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 14 3 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 3 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > 620279 > K $$$$ 620280 1016 111283D 620280 55 57 0 1 V2000 14.2484 14.6519 -5.7820 C 0 0 0 0 0 0 0 0 0 12.9381 14.6050 -5.3219 C 0 0 0 0 0 0 0 0 0 12.0743 13.6144 -5.7695 C 0 0 0 0 0 0 0 0 0 12.5045 12.6578 -6.6840 C 0 0 0 0 0 0 0 0 0 13.8179 12.7162 -7.1398 C 0 0 0 0 0 0 0 0 0 14.6849 13.7051 -6.6983 C 0 0 0 0 0 0 0 0 0 11.6578 11.6769 -7.1313 N 0 0 0 0 0 0 0 0 0 10.6900 11.0843 -6.2363 C 0 0 0 0 0 0 0 0 0 11.7186 11.2206 -8.5029 C 0 0 0 0 0 0 0 0 0 11.4822 12.3941 -9.4583 C 0 0 0 0 0 0 0 0 0 11.4823 11.9321 -10.8811 C 0 0 0 0 0 0 0 0 0 9.2874 11.6002 -6.5504 C 0 0 0 0 0 0 0 0 0 8.2809 11.0669 -5.5786 C 0 0 0 0 0 0 0 0 0 11.4855 11.5717 -11.9872 N 0 0 0 0 0 0 0 0 0 7.4932 10.6562 -4.8268 N 0 0 0 0 0 0 0 0 0 15.2035 15.7061 -5.3064 C 0 0 0 0 0 0 0 0 0 14.8429 16.5575 -4.4623 N 0 0 0 0 0 0 0 0 0 15.6783 17.5386 -4.0217 C 0 0 0 0 0 0 0 0 0 16.0077 17.7454 -2.7403 C 0 0 0 0 0 0 0 0 0 16.8467 18.8143 -2.6401 N 0 0 0 0 0 0 0 0 0 17.0847 19.3503 -4.0104 N 0 0 0 0 0 0 0 0 0 16.3830 18.5648 -4.8627 C 0 0 0 0 0 0 0 0 0 15.5215 16.9145 -1.5906 C 0 0 0 0 0 0 0 0 0 17.4205 19.3488 -1.4401 C 0 0 0 0 0 0 0 0 0 17.8551 20.4187 -4.3440 C 0 0 0 0 0 0 0 0 0 17.5681 21.6749 -3.8241 C 0 0 0 0 0 0 0 0 0 18.3521 22.7694 -4.1663 C 0 0 0 0 0 0 0 0 0 19.4288 22.6080 -5.0284 C 0 0 0 0 0 0 0 0 0 19.7206 21.3524 -5.5459 C 0 0 0 0 0 0 0 0 0 18.9329 20.2597 -5.2057 C 0 0 0 0 0 0 0 0 0 16.3353 18.6777 -6.0659 O 0 0 0 0 0 0 0 0 0 12.5948 15.3203 -4.6338 H 0 0 0 0 0 0 0 0 0 11.0885 13.5990 -5.4102 H 0 0 0 0 0 0 0 0 0 14.1711 12.0068 -7.8254 H 0 0 0 0 0 0 0 0 0 15.6711 13.7323 -7.0605 H 0 0 0 0 0 0 0 0 0 10.7114 10.0076 -6.3381 H 0 0 0 0 0 0 0 0 0 10.9314 11.3074 -5.2050 H 0 0 0 0 0 0 0 0 0 12.6774 10.7677 -8.7080 H 0 0 0 0 0 0 0 0 0 10.9637 10.4690 -8.6881 H 0 0 0 0 0 0 0 0 0 10.5339 12.8603 -9.2330 H 0 0 0 0 0 0 0 0 0 12.2654 13.1286 -9.3458 H 0 0 0 0 0 0 0 0 0 9.2793 12.6781 -6.5025 H 0 0 0 0 0 0 0 0 0 9.0077 11.2883 -7.5448 H 0 0 0 0 0 0 0 0 0 16.1828 15.7162 -5.6899 H 0 0 0 0 0 0 0 0 0 14.8755 16.1194 -1.9343 H 0 0 0 0 0 0 0 0 0 16.3754 16.4831 -1.0907 H 0 0 0 0 0 0 0 0 0 14.9796 17.5446 -0.9020 H 0 0 0 0 0 0 0 0 0 17.2201 18.7132 -0.5904 H 0 0 0 0 0 0 0 0 0 18.4884 19.4316 -1.5733 H 0 0 0 0 0 0 0 0 0 17.0065 20.3292 -1.2574 H 0 0 0 0 0 0 0 0 0 16.7537 21.7963 -3.1731 H 0 0 0 0 0 0 0 0 0 18.1304 23.7185 -3.7743 H 0 0 0 0 0 0 0 0 0 20.0216 23.4357 -5.2883 H 0 0 0 0 0 0 0 0 0 20.5373 21.2302 -6.1947 H 0 0 0 0 0 0 0 0 0 19.1513 19.3095 -5.5958 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 14 3 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 3 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 22 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 31 2 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END > 620280 > K $$$$ 620358 1016 111283D 620358 55 58 1 1 V2000 3.2028 0.2373 -3.3569 C 0 0 0 0 0 0 0 0 0 3.8109 1.1326 -2.2746 C 0 0 0 0 0 0 0 0 0 2.7145 1.7097 -1.3798 C 0 0 0 0 0 0 0 0 0 1.8312 0.6238 -0.7416 C 0 0 2 0 0 0 0 0 0 1.2838 -0.3429 -1.8331 C 0 0 2 0 0 0 0 0 0 2.3588 -0.9273 -2.7991 C 0 0 1 0 0 0 0 0 0 1.7016 -1.7878 -3.9221 C 0 0 1 0 0 0 0 0 0 3.3153 -1.8830 -2.0566 C 0 0 0 0 0 0 0 0 0 0.8210 -1.1753 -1.3205 H 0 0 0 0 0 0 0 0 0 0.7307 1.3314 0.0663 C 0 0 0 0 0 0 0 0 0 2.5801 -0.0925 0.3541 C 0 0 0 0 0 0 0 0 0 0.1514 0.3417 -2.6256 C 0 0 0 0 0 0 0 0 0 -0.5179 -0.5900 -3.6280 C 0 0 0 0 0 0 0 0 0 0.5024 -1.1183 -4.6330 C 0 0 2 0 0 0 0 0 0 1.2765 -2.6477 -3.4215 H 0 0 0 0 0 0 0 0 0 2.6904 -2.3590 -4.9677 C 0 0 0 0 0 0 0 0 0 2.0196 -3.1064 -6.1303 C 0 0 0 0 0 0 0 0 0 0.8261 -2.3344 -6.7059 C 0 0 1 0 0 0 0 0 0 -0.1724 -2.1452 -5.5598 C 0 0 0 0 0 0 0 0 0 0.9372 -0.1470 -5.6943 C 0 0 0 0 0 0 0 0 0 1.1710 -0.8964 -6.9589 C 0 0 0 0 0 0 0 0 0 1.6131 -0.3702 -8.1080 C 0 0 0 0 0 0 0 0 0 0.2061 -3.0015 -7.7810 O 0 0 0 0 0 0 0 0 0 1.0791 1.0442 -5.5557 O 0 0 0 0 0 0 0 0 0 2.1452 -1.1249 0.8082 O 0 0 0 0 0 0 0 0 0 3.7413 0.4378 0.8281 O 0 0 0 0 0 0 0 0 0 4.2024 -0.1867 2.0091 C 0 0 0 0 0 0 0 0 0 2.5904 0.8720 -3.9752 H 0 0 0 0 0 0 0 0 0 4.0114 -0.1392 -3.9654 H 0 0 0 0 0 0 0 0 0 4.5236 0.5802 -1.6802 H 0 0 0 0 0 0 0 0 0 4.3355 1.9483 -2.7518 H 0 0 0 0 0 0 0 0 0 3.1745 2.3169 -0.6124 H 0 0 0 0 0 0 0 0 0 2.1001 2.3571 -1.9890 H 0 0 0 0 0 0 0 0 0 3.8185 -1.4105 -1.2316 H 0 0 0 0 0 0 0 0 0 2.7737 -2.7378 -1.6778 H 0 0 0 0 0 0 0 0 0 4.0962 -2.2310 -2.7156 H 0 0 0 0 0 0 0 0 0 1.1609 1.8974 0.8817 H 0 0 0 0 0 0 0 0 0 0.1796 2.0253 -0.5507 H 0 0 0 0 0 0 0 0 0 0.0472 0.6003 0.4751 H 0 0 0 0 0 0 0 0 0 -0.6352 0.6541 -1.9558 H 0 0 0 0 0 0 0 0 0 0.5213 1.2124 -3.1467 H 0 0 0 0 0 0 0 0 0 -0.9569 -1.4181 -3.0888 H 0 0 0 0 0 0 0 0 0 -1.3050 -0.0584 -4.1440 H 0 0 0 0 0 0 0 0 0 3.2542 -1.5461 -5.4008 H 0 0 0 0 0 0 0 0 0 3.3873 -3.0422 -4.5072 H 0 0 0 0 0 0 0 0 0 2.7482 -3.2732 -6.9105 H 0 0 0 0 0 0 0 0 0 1.6705 -4.0678 -5.7810 H 0 0 0 0 0 0 0 0 0 -0.3882 -3.0763 -5.0547 H 0 0 0 0 0 0 0 0 0 -1.0980 -1.7510 -5.9588 H 0 0 0 0 0 0 0 0 0 1.8218 0.6575 -8.1662 H 0 0 0 0 0 0 0 0 0 1.7502 -0.9784 -8.9525 H 0 0 0 0 0 0 0 0 0 0.8327 -3.1137 -8.4884 H 0 0 0 0 0 0 0 0 0 5.1328 0.2769 2.3031 H 0 0 0 0 0 0 0 0 0 3.4875 -0.0708 2.8119 H 0 0 0 0 0 0 0 0 0 4.3831 -1.2388 1.8374 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 11 1 1 0 0 0 4 5 1 0 0 0 0 4 10 1 6 0 0 0 5 6 1 1 0 0 0 5 12 1 6 0 0 0 5 9 1 0 0 0 0 6 7 1 6 0 0 0 6 8 1 1 0 0 0 7 14 1 6 0 0 0 7 16 1 1 0 0 0 7 15 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 26 1 0 0 0 0 11 25 2 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 20 1 1 0 0 0 14 19 1 6 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 23 1 0 0 0 0 18 21 1 0 0 0 0 18 19 1 6 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 24 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M END > 620358 > K $$$$ 621094 1016 111283D 621094 36 38 1 1 V2000 -0.4616 3.0279 -5.1083 N 0 0 0 0 0 0 0 0 0 0.2542 0.6494 -5.2681 C 0 0 0 0 0 0 0 0 0 1.5475 0.2692 -5.3973 N 0 0 0 0 0 0 0 0 0 2.3004 1.1374 -4.8913 N 0 0 0 0 0 0 0 0 0 1.6442 2.0521 -4.3414 C 0 0 0 0 0 0 0 0 0 0.1554 1.9041 -4.4635 C 0 0 1 0 0 0 0 0 0 2.2967 3.1942 -3.6249 C 0 0 0 0 0 0 0 0 0 -0.5767 3.9727 -4.5461 N 0 0 0 0 0 0 0 0 0 -1.1215 5.1100 -5.0564 C 0 0 0 0 0 0 0 0 0 -1.6316 5.1760 -6.3485 C 0 0 0 0 0 0 0 0 0 -2.1739 6.3627 -6.8259 C 0 0 0 0 0 0 0 0 0 -2.2088 7.4876 -6.0125 C 0 0 0 0 0 0 0 0 0 -1.7038 7.4252 -4.7210 C 0 0 0 0 0 0 0 0 0 -1.1626 6.2376 -4.2458 C 0 0 0 0 0 0 0 0 0 -0.6930 0.0629 -5.7350 O 0 0 0 0 0 0 0 0 0 2.0154 -0.8708 -5.9841 C 0 0 0 0 0 0 0 0 0 1.2292 -2.1457 -6.1801 C 0 0 0 0 0 0 0 0 0 3.1573 -0.8604 -6.3794 O 0 0 0 0 0 0 0 0 0 1.6649 -3.0469 -7.1448 C 0 0 0 0 0 0 0 0 0 0.0964 -2.4542 -5.4337 C 0 0 0 0 0 0 0 0 0 -0.5984 -3.6279 -5.6881 C 0 0 0 0 0 0 0 0 0 -0.1593 -4.4756 -6.6457 N 0 0 0 0 0 0 0 0 0 0.9542 -4.2177 -7.3687 C 0 0 0 0 0 0 0 0 0 -2.7251 8.6242 -6.4686 F 0 0 0 0 0 0 0 0 0 -0.3006 1.6914 -3.5095 H 0 0 0 0 0 0 0 0 0 3.3174 2.9397 -3.3821 H 0 0 0 0 0 0 0 0 0 2.2890 4.0644 -4.2639 H 0 0 0 0 0 0 0 0 0 1.7565 3.4133 -2.7164 H 0 0 0 0 0 0 0 0 0 -1.6075 4.3270 -6.9655 H 0 0 0 0 0 0 0 0 0 -2.5583 6.4128 -7.8018 H 0 0 0 0 0 0 0 0 0 -1.7313 8.2757 -4.1056 H 0 0 0 0 0 0 0 0 0 -0.7815 6.1894 -3.2688 H 0 0 0 0 0 0 0 0 0 2.5290 -2.8449 -7.7072 H 0 0 0 0 0 0 0 0 0 -0.2450 -1.8146 -4.6762 H 0 0 0 0 0 0 0 0 0 -1.4632 -3.8590 -5.1386 H 0 0 0 0 0 0 0 0 0 1.2776 -4.9026 -8.0965 H 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 6 1 0 0 0 0 2 15 2 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 6 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 24 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 16 18 2 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 23 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 23 36 1 0 0 0 0 M END > 621094 > K $$$$ 621486 1016 111283D 621486 45 47 0 2 V2000 7.3539 -5.1330 9.2220 C 0 0 0 0 0 0 0 0 0 6.0802 -5.2791 8.6772 C 0 0 0 0 0 0 0 0 0 5.7595 -4.6225 7.4953 C 0 0 0 0 0 0 0 0 0 6.7020 -3.8167 6.8570 C 0 0 0 0 0 0 0 0 0 7.9699 -3.6241 7.4299 C 0 0 0 0 0 0 0 0 0 8.2853 -4.2973 8.6106 C 0 0 0 0 0 0 0 0 0 8.8577 -2.7695 6.7938 N 0 2 0 0 0 0 0 0 0 9.9877 -2.5683 7.3177 O 0 0 0 0 0 0 0 0 0 8.5702 -2.1212 5.6051 C 0 0 0 0 0 0 0 0 0 7.3403 -2.4109 5.0067 C 0 0 0 0 0 0 0 0 0 6.4182 -3.1971 5.6607 N 0 2 0 0 0 0 0 0 0 5.2758 -3.3619 5.1458 O 0 0 0 0 0 0 0 0 0 9.5365 -1.1379 4.9548 C 0 0 0 0 0 0 0 0 0 7.0897 -1.8651 3.6356 C 0 0 0 0 0 0 0 0 0 6.6286 -0.7613 3.5248 O 0 0 0 0 0 0 0 0 0 7.4819 -2.8026 2.5355 C 0 0 0 0 0 0 0 0 0 7.4883 -4.0916 2.9046 C 0 0 0 0 0 0 0 0 0 8.3021 -5.1849 2.3268 C 0 0 0 0 0 0 0 0 0 9.0865 -5.8730 3.2506 C 0 0 0 0 0 0 0 0 0 9.8449 -6.9467 2.8032 C 0 0 0 0 0 0 0 0 0 9.8321 -7.2968 1.4595 C 0 0 0 0 0 0 0 0 0 9.0660 -6.5778 0.5496 C 0 0 0 0 0 0 0 0 0 8.2902 -5.5096 0.9778 C 0 0 0 0 0 0 0 0 0 5.0365 -6.1424 9.3473 C 0 0 0 0 0 0 0 0 0 7.7264 -5.8822 10.4780 C 0 0 0 0 0 0 0 0 0 9.1240 -5.5032 4.5878 N 0 3 0 0 0 0 0 0 0 9.8848 -6.1517 5.3406 O 0 0 0 0 0 0 0 0 0 8.3483 -4.3953 5.2534 O 0 5 0 0 0 0 0 0 0 4.7925 -4.7465 7.0930 H 0 0 0 0 0 0 0 0 0 9.2343 -4.1823 9.0546 H 0 0 0 0 0 0 0 0 0 9.9162 -0.4325 5.6807 H 0 0 0 0 0 0 0 0 0 10.3665 -1.6607 4.4998 H 0 0 0 0 0 0 0 0 0 9.0661 -0.5440 4.1796 H 0 0 0 0 0 0 0 0 0 7.7411 -2.4658 1.5715 H 0 0 0 0 0 0 0 0 0 6.8869 -4.4032 3.7027 H 0 0 0 0 0 0 0 0 0 10.4310 -7.4973 3.4794 H 0 0 0 0 0 0 0 0 0 10.4079 -8.1127 1.1290 H 0 0 0 0 0 0 0 0 0 9.0733 -6.8452 -0.4682 H 0 0 0 0 0 0 0 0 0 7.7067 -4.9673 0.2878 H 0 0 0 0 0 0 0 0 0 4.9178 -5.8599 10.3849 H 0 0 0 0 0 0 0 0 0 4.0714 -6.0495 8.8681 H 0 0 0 0 0 0 0 0 0 5.3337 -7.1815 9.3074 H 0 0 0 0 0 0 0 0 0 7.5485 -6.9404 10.3392 H 0 0 0 0 0 0 0 0 0 8.7682 -5.7493 10.7335 H 0 0 0 0 0 0 0 0 0 7.1237 -5.5429 11.3096 H 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 24 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 11 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 13 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 26 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 4 7 2 11 2 26 1 28 -1 M END > 621486 > K $$$$ 621889 1016 111283D 621889 29 29 1 2 V2000 -0.4107 2.3716 0.5105 C 0 0 0 0 0 0 0 0 0 -0.7776 0.9073 0.7605 C 0 0 0 0 0 0 0 0 0 -0.2027 0.1708 -0.4479 C 0 0 0 0 0 0 0 0 0 0.9503 1.0579 -0.7895 C 0 0 0 0 0 0 0 0 0 1.7451 0.7955 -1.6589 O 0 0 0 0 0 0 0 0 0 1.0423 2.3055 0.0324 C 0 0 1 0 0 0 0 0 0 1.5036 3.5459 -0.7505 C 0 0 0 0 0 0 0 0 0 2.9600 3.7635 -0.9520 N 0 3 0 0 0 0 0 0 0 3.6101 2.6353 -1.6511 C 0 0 0 0 0 0 0 0 0 3.1301 4.9704 -1.7886 C 0 0 0 0 0 0 0 0 0 3.6544 3.9937 0.3319 C 0 0 0 0 0 0 0 0 0 -1.0491 2.7700 -0.2669 H 0 0 0 0 0 0 0 0 0 -0.5157 2.9679 1.4061 H 0 0 0 0 0 0 0 0 0 -0.2884 0.5630 1.6618 H 0 0 0 0 0 0 0 0 0 -1.8449 0.7614 0.8503 H 0 0 0 0 0 0 0 0 0 0.1098 -0.8337 -0.2000 H 0 0 0 0 0 0 0 0 0 -0.9037 0.1617 -1.2701 H 0 0 0 0 0 0 0 0 0 1.6773 2.1199 0.8858 H 0 0 0 0 0 0 0 0 0 0.9917 3.5101 -1.7055 H 0 0 0 0 0 0 0 0 0 1.1005 4.3992 -0.2180 H 0 0 0 0 0 0 0 0 0 3.6198 1.7399 -1.0430 H 0 0 0 0 0 0 0 0 0 3.1050 2.3980 -2.5796 H 0 0 0 0 0 0 0 0 0 4.6430 2.8524 -1.8929 H 0 0 0 0 0 0 0 0 0 4.1760 5.1923 -1.9632 H 0 0 0 0 0 0 0 0 0 2.6623 4.8506 -2.7583 H 0 0 0 0 0 0 0 0 0 2.6915 5.8439 -1.3219 H 0 0 0 0 0 0 0 0 0 3.2234 4.8278 0.8718 H 0 0 0 0 0 0 0 0 0 3.6083 3.1271 0.9783 H 0 0 0 0 0 0 0 0 0 4.7040 4.2153 0.1801 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 6 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M CHG 1 8 1 M END > 621889 > K $$$$ 622190 1016 111283D 622190 28 30 0 1 V2000 0.0231 0.1859 0.6478 O 0 0 0 0 0 0 0 0 0 -0.0136 1.3334 0.2780 C 0 0 0 0 0 0 0 0 0 1.3026 1.9662 -0.0439 C 0 0 0 0 0 0 0 0 0 1.3802 3.1805 -0.6059 C 0 0 0 0 0 0 0 0 0 2.5762 3.7908 -0.8721 O 0 0 0 0 0 0 0 0 0 3.7290 3.3587 -0.1680 C 0 0 0 0 0 0 0 0 0 0.0933 3.8860 -0.9571 C 0 0 0 0 0 0 0 0 0 0.1118 4.9491 -1.5316 O 0 0 0 0 0 0 0 0 0 -1.2381 3.2806 -0.5943 C 0 0 0 0 0 0 0 0 0 -1.3107 2.0951 0.1338 C 0 0 0 0 0 0 0 0 0 -2.5394 1.6835 0.6642 C 0 0 0 0 0 0 0 0 0 -3.7006 2.3121 0.2151 C 0 0 0 0 0 0 0 0 0 -3.6346 3.4182 -0.6188 C 0 0 0 0 0 0 0 0 0 -2.4007 3.9239 -0.9968 C 0 0 0 0 0 0 0 0 0 -2.7365 0.6865 1.6228 C 0 0 0 0 0 0 0 0 0 -1.7751 0.0983 2.3777 N 0 0 0 0 0 0 0 0 0 -3.9770 0.2217 1.8845 N 0 0 0 0 0 0 0 0 0 -5.0776 0.7995 1.3693 C 0 0 0 0 0 0 0 0 0 -4.9281 1.8740 0.5712 N 0 0 0 0 0 0 0 0 0 2.1756 1.4309 0.1815 H 0 0 0 0 0 0 0 0 0 3.5223 3.2247 0.8858 H 0 0 0 0 0 0 0 0 0 4.0961 2.4320 -0.5858 H 0 0 0 0 0 0 0 0 0 4.5022 4.1069 -0.2632 H 0 0 0 0 0 0 0 0 0 -4.5192 3.8718 -0.9579 H 0 0 0 0 0 0 0 0 0 -2.3489 4.7910 -1.5885 H 0 0 0 0 0 0 0 0 0 -1.9853 -0.7151 2.8621 H 0 0 0 0 0 0 0 0 0 -0.8864 0.4690 2.4576 H 0 0 0 0 0 0 0 0 0 -6.0326 0.4206 1.5903 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 10 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 19 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 M END > 622190 > K $$$$ 622586 1016 111283D 622586 44 45 0 1 V2000 -1.6252 2.6804 2.5187 N 0 0 0 0 0 0 0 0 0 -0.8025 1.6847 1.8792 C 0 0 0 0 0 0 0 0 0 -1.0445 3.4978 3.5551 C 0 0 0 0 0 0 0 0 0 -2.9297 2.8498 2.1492 C 0 0 0 0 0 0 0 0 0 -3.8226 3.9563 2.8001 S 0 0 0 0 0 0 0 0 0 -3.4836 2.0506 1.2026 N 0 0 0 0 0 0 0 0 0 -3.9537 2.4604 0.1155 C 0 0 0 0 0 0 0 0 0 -4.6310 1.6187 -0.7189 N 0 0 0 0 0 0 0 0 0 -5.0590 2.1355 -1.9073 C 0 0 0 0 0 0 0 0 0 -4.6587 3.8452 -2.2230 S 0 0 0 0 0 0 0 0 0 -3.7706 4.1474 -0.4335 S 0 0 0 0 0 0 0 0 0 -4.8689 0.3185 -0.3779 C 0 0 0 0 0 0 0 0 0 -4.4833 -0.7158 -1.2223 C 0 0 0 0 0 0 0 0 0 -4.7251 -2.0374 -0.8707 C 0 0 0 0 0 0 0 0 0 -5.3612 -2.3431 0.3294 C 0 0 0 0 0 0 0 0 0 -5.6472 -3.6037 0.7652 O 0 0 0 0 0 0 0 0 0 -5.2660 -4.6973 -0.0453 C 0 0 0 0 0 0 0 0 0 -5.7460 -1.3063 1.1682 C 0 0 0 0 0 0 0 0 0 -5.5010 0.0155 0.8217 C 0 0 0 0 0 0 0 0 0 -5.7046 1.4353 -2.7215 N 0 0 0 0 0 0 0 0 0 -6.0748 1.8508 -3.9588 C 0 0 0 0 0 0 0 0 0 -4.9488 2.1371 -5.0052 S 0 0 0 0 0 0 0 0 0 -7.3959 2.0072 -4.2688 N 0 0 0 0 0 0 0 0 0 -8.4164 1.8015 -3.2724 C 0 0 0 0 0 0 0 0 0 -7.7981 2.3824 -5.6013 C 0 0 0 0 0 0 0 0 0 -1.3726 1.0314 1.2341 H 0 0 0 0 0 0 0 0 0 -0.0522 2.1821 1.2812 H 0 0 0 0 0 0 0 0 0 -0.3150 1.0768 2.6273 H 0 0 0 0 0 0 0 0 0 0.0082 3.2863 3.6775 H 0 0 0 0 0 0 0 0 0 -1.1555 4.5451 3.3107 H 0 0 0 0 0 0 0 0 0 -1.5450 3.3011 4.4931 H 0 0 0 0 0 0 0 0 0 -4.0038 -0.4960 -2.1312 H 0 0 0 0 0 0 0 0 0 -4.4206 -2.7996 -1.5229 H 0 0 0 0 0 0 0 0 0 -4.1934 -4.7149 -0.1785 H 0 0 0 0 0 0 0 0 0 -5.5661 -5.6110 0.4465 H 0 0 0 0 0 0 0 0 0 -5.7575 -4.6469 -1.0068 H 0 0 0 0 0 0 0 0 0 -6.2276 -1.5293 2.0740 H 0 0 0 0 0 0 0 0 0 -5.7969 0.7894 1.4671 H 0 0 0 0 0 0 0 0 0 -8.0059 1.5720 -2.2993 H 0 0 0 0 0 0 0 0 0 -9.0115 2.6987 -3.1813 H 0 0 0 0 0 0 0 0 0 -9.0526 0.9824 -3.5747 H 0 0 0 0 0 0 0 0 0 -7.3346 3.3188 -5.8788 H 0 0 0 0 0 0 0 0 0 -7.4950 1.6177 -6.3029 H 0 0 0 0 0 0 0 0 0 -8.8704 2.5009 -5.6663 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 20 2 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > 622586 > K $$$$ 622589 1016 111283D 622589 43 45 0 1 V2000 -4.8256 7.7734 2.9367 N 0 0 0 0 0 0 0 0 0 -5.7525 8.0889 3.9939 C 0 0 0 0 0 0 0 0 0 -4.9914 8.4317 1.6637 C 0 0 0 0 0 0 0 0 0 -3.8167 6.8721 3.1450 C 0 0 0 0 0 0 0 0 0 -3.5235 6.2680 4.5556 S 0 0 0 0 0 0 0 0 0 -3.0277 6.4722 2.1187 N 0 0 0 0 0 0 0 0 0 -3.4062 5.7210 1.1893 C 0 0 0 0 0 0 0 0 0 -2.5606 5.4095 0.1649 N 0 0 0 0 0 0 0 0 0 -3.0217 4.5449 -0.7857 C 0 0 0 0 0 0 0 0 0 -4.7235 4.0321 -0.6255 S 0 0 0 0 0 0 0 0 0 -5.0404 5.0100 1.1183 S 0 0 0 0 0 0 0 0 0 -0.9132 6.6535 -1.0328 C 0 0 0 0 0 0 0 0 0 0.3557 7.2162 -1.1143 C 0 0 0 0 0 0 0 0 0 1.2209 7.0515 -0.0436 C 0 0 0 0 0 0 0 0 0 0.8370 6.3494 1.0756 C 0 0 0 0 0 0 0 0 0 -0.4273 5.7905 1.1677 C 0 0 0 0 0 0 0 0 0 -1.3081 5.9465 0.1013 C 0 0 0 0 0 0 0 0 0 1.8252 6.3030 1.9935 O 0 0 0 0 0 0 0 0 0 2.8675 7.0297 1.3557 C 0 0 0 0 0 0 0 0 0 2.4835 7.5131 0.0744 O 0 0 0 0 0 0 0 0 0 -2.2742 4.1377 -1.7068 N 0 0 0 0 0 0 0 0 0 -2.6811 3.3905 -2.7667 C 0 0 0 0 0 0 0 0 0 -3.7232 4.0150 -3.7521 S 0 0 0 0 0 0 0 0 0 -2.1880 2.1314 -2.9650 N 0 0 0 0 0 0 0 0 0 -1.2797 1.5353 -2.0186 C 0 0 0 0 0 0 0 0 0 -2.5679 1.3688 -4.1289 C 0 0 0 0 0 0 0 0 0 -6.2535 7.1897 4.3235 H 0 0 0 0 0 0 0 0 0 -5.2208 8.5250 4.8278 H 0 0 0 0 0 0 0 0 0 -6.5017 8.7935 3.6609 H 0 0 0 0 0 0 0 0 0 -4.1563 8.2638 0.9990 H 0 0 0 0 0 0 0 0 0 -5.8906 8.0690 1.1862 H 0 0 0 0 0 0 0 0 0 -5.0808 9.4977 1.8153 H 0 0 0 0 0 0 0 0 0 -1.5831 6.7648 -1.8341 H 0 0 0 0 0 0 0 0 0 0.6560 7.7541 -1.9641 H 0 0 0 0 0 0 0 0 0 -0.7094 5.2585 2.0272 H 0 0 0 0 0 0 0 0 0 3.1477 7.8656 1.9818 H 0 0 0 0 0 0 0 0 0 3.7278 6.3842 1.2440 H 0 0 0 0 0 0 0 0 0 -1.0869 2.1764 -1.1704 H 0 0 0 0 0 0 0 0 0 -1.7041 0.6116 -1.6519 H 0 0 0 0 0 0 0 0 0 -0.3396 1.3228 -2.5066 H 0 0 0 0 0 0 0 0 0 -2.2254 1.8722 -5.0221 H 0 0 0 0 0 0 0 0 0 -2.1351 0.3786 -4.1081 H 0 0 0 0 0 0 0 0 0 -3.6433 1.2675 -4.1723 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 2 0 0 0 0 10 11 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 20 1 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END > 622589 > K $$$$ 622608 1016 111283D 622608 26 27 0 1 V2000 1.1393 6.9776 0.8851 N 0 0 0 0 0 0 0 0 0 2.5779 6.9710 0.8481 C 0 0 0 0 0 0 0 0 0 0.4315 7.6581 1.9426 C 0 0 0 0 0 0 0 0 0 0.4292 6.3363 -0.0861 C 0 0 0 0 0 0 0 0 0 -0.8210 6.3268 -0.0418 N 0 0 0 0 0 0 0 0 0 -1.5196 5.7000 -1.0207 C 0 0 0 0 0 0 0 0 0 -0.5616 4.9138 -2.2938 S 0 0 0 0 0 0 0 0 0 1.1929 5.4841 -1.4570 S 0 0 0 0 0 0 0 0 0 -2.7721 5.6845 -1.0159 N 0 0 0 0 0 0 0 0 0 -3.5415 6.3216 0.0218 C 0 0 0 0 0 0 0 0 0 -3.3004 7.8031 0.0724 C 0 0 0 0 0 0 0 0 0 -3.1511 8.5977 -1.0487 C 0 0 0 0 0 0 0 0 0 -2.9320 9.8763 -0.5894 C 0 0 0 0 0 0 0 0 0 -2.9628 9.8015 0.7901 C 0 0 0 0 0 0 0 0 0 -3.2026 8.5221 1.2458 O 0 0 0 0 0 0 0 0 0 2.9983 7.5158 1.6812 H 0 0 0 0 0 0 0 0 0 2.9376 5.9528 0.8903 H 0 0 0 0 0 0 0 0 0 2.9212 7.4297 -0.0681 H 0 0 0 0 0 0 0 0 0 -0.1872 6.9510 2.4774 H 0 0 0 0 0 0 0 0 0 1.1053 8.1250 2.6461 H 0 0 0 0 0 0 0 0 0 -0.2071 8.4209 1.5191 H 0 0 0 0 0 0 0 0 0 -4.5922 6.1494 -0.1575 H 0 0 0 0 0 0 0 0 0 -3.2855 5.9021 0.9843 H 0 0 0 0 0 0 0 0 0 -3.1949 8.2843 -2.0496 H 0 0 0 0 0 0 0 0 0 -2.7730 10.7354 -1.1714 H 0 0 0 0 0 0 0 0 0 -2.8196 10.6284 1.4223 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 M END > 622608 > K $$$$ 622616 1016 111283D 622616 37 38 0 1 V2000 8.7299 3.0550 -5.4589 C 0 0 0 0 0 0 0 0 0 10.1113 2.9570 -5.5554 C 0 0 0 0 0 0 0 0 0 10.7446 2.7078 -6.7313 O 0 0 0 0 0 0 0 0 0 10.8819 3.1178 -4.4144 C 0 0 0 0 0 0 0 0 0 10.2851 3.3716 -3.1842 C 0 0 0 0 0 0 0 0 0 11.0582 3.5248 -2.0758 O 0 0 0 0 0 0 0 0 0 8.8975 3.4676 -3.0870 C 0 0 0 0 0 0 0 0 0 8.1242 3.3074 -4.2358 C 0 0 0 0 0 0 0 0 0 6.7648 3.3837 -4.2501 O 0 0 0 0 0 0 0 0 0 6.1254 3.5235 -3.0575 C 0 0 0 0 0 0 0 0 0 4.9180 3.4993 -3.0520 O 0 0 0 0 0 0 0 0 0 6.8518 3.7064 -1.7543 C 0 0 0 0 0 0 0 0 0 8.1965 3.7383 -1.7723 C 0 0 0 0 0 0 0 0 0 9.0159 4.0311 -0.5396 C 0 0 0 0 0 0 0 0 0 6.0043 3.8441 -0.5113 C 0 0 0 0 0 0 0 0 0 5.4100 5.2462 -0.3714 C 0 0 0 0 0 0 0 0 0 6.4968 6.2732 -0.3299 C 0 0 0 0 0 0 0 0 0 6.8142 6.7831 0.7184 O 0 0 0 0 0 0 0 0 0 7.1089 6.6032 -1.4966 O 0 0 0 0 0 0 0 0 0 8.1899 7.4952 -1.3325 C 0 0 0 0 0 0 0 0 0 8.8427 7.6213 -2.7022 C 0 0 0 0 0 0 0 0 0 8.1339 2.9377 -6.3148 H 0 0 0 0 0 0 0 0 0 10.1194 2.6213 -7.4438 H 0 0 0 0 0 0 0 0 0 11.9261 3.0454 -4.4895 H 0 0 0 0 0 0 0 0 0 11.9843 3.4415 -2.2786 H 0 0 0 0 0 0 0 0 0 9.7381 4.7999 -0.7717 H 0 0 0 0 0 0 0 0 0 8.4320 4.3908 0.2919 H 0 0 0 0 0 0 0 0 0 9.5387 3.1351 -0.2386 H 0 0 0 0 0 0 0 0 0 5.1857 3.1424 -0.5793 H 0 0 0 0 0 0 0 0 0 6.5583 3.5914 0.3809 H 0 0 0 0 0 0 0 0 0 4.7672 5.4593 -1.2128 H 0 0 0 0 0 0 0 0 0 4.8283 5.3058 0.5373 H 0 0 0 0 0 0 0 0 0 7.8463 8.4653 -0.9973 H 0 0 0 0 0 0 0 0 0 8.9103 7.1060 -0.6267 H 0 0 0 0 0 0 0 0 0 8.1324 8.0402 -3.3995 H 0 0 0 0 0 0 0 0 0 9.7115 8.2597 -2.6419 H 0 0 0 0 0 0 0 0 0 9.1377 6.6398 -3.0433 H 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 25 1 0 0 0 0 7 13 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END > 622616 > K $$$$ 622627 1016 111283D 622627 22 22 0 2 V2000 0.2158 1.6925 0.0862 C 0 0 0 0 0 0 0 0 0 -0.0955 0.3444 0.2188 C 0 0 0 0 0 0 0 0 0 0.8869 -0.6334 0.1548 C 0 0 0 0 0 0 0 0 0 2.2029 -0.2333 -0.0329 C 0 0 0 0 0 0 0 0 0 2.5340 1.1106 -0.1688 C 0 0 0 0 0 0 0 0 0 1.5372 2.0905 -0.1354 C 0 0 0 0 0 0 0 0 0 1.8789 3.5480 -0.3339 C 0 0 0 0 0 0 0 0 0 -0.8403 2.5491 0.1867 N 0 3 0 0 0 0 0 0 0 -2.0111 2.1149 0.2811 O 0 0 0 0 0 0 0 0 0 -0.6698 3.9877 0.1928 O 0 5 0 0 0 0 0 0 0 3.8619 1.3744 -0.3313 N 0 3 0 0 0 0 0 0 0 4.6902 0.4435 -0.4546 O 0 0 0 0 0 0 0 0 0 4.3817 2.7264 -0.3676 O 0 5 0 0 0 0 0 0 0 0.4978 -2.0858 0.2909 C 0 0 0 0 0 0 0 0 0 1.5747 -2.9447 0.2029 F 0 0 0 0 0 0 0 0 0 -0.1136 -2.2636 1.5144 F 0 0 0 0 0 0 0 0 0 -0.3926 -2.3939 -0.7170 F 0 0 0 0 0 0 0 0 0 2.2395 4.2627 1.2799 Cl 0 0 0 0 0 0 0 0 0 -1.0958 0.0572 0.3711 H 0 0 0 0 0 0 0 0 0 2.9655 -0.9563 -0.0736 H 0 0 0 0 0 0 0 0 0 2.7176 3.6841 -0.9960 H 0 0 0 0 0 0 0 0 0 1.0807 4.0920 -0.8106 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 M CHG 4 8 1 10 -1 11 1 13 -1 M END > 622627 > K $$$$ 622640 1016 111283D 622640 23 23 0 2 V2000 2.3762 1.3931 0.0996 C 0 0 0 0 0 0 0 0 0 2.3743 0.0043 0.0601 C 0 0 0 0 0 0 0 0 0 1.1840 -0.7107 0.0434 C 0 0 0 0 0 0 0 0 0 -0.0140 -0.0077 0.0799 C 0 0 0 0 0 0 0 0 0 -0.0247 1.3820 0.1195 C 0 0 0 0 0 0 0 0 0 1.1726 2.0924 0.0851 C 0 0 0 0 0 0 0 0 0 1.1699 3.5894 0.0238 C 0 0 0 0 0 0 0 0 0 3.5873 2.0065 0.1541 N 0 3 0 0 0 0 0 0 0 4.6516 1.3618 0.0149 O 0 0 0 0 0 0 0 0 0 3.6694 3.4333 0.3829 O 0 5 0 0 0 0 0 0 0 -1.2378 1.9895 0.1948 N 0 3 0 0 0 0 0 0 0 -2.3022 1.3417 0.0722 O 0 0 0 0 0 0 0 0 0 -1.3206 3.4158 0.4270 O 0 5 0 0 0 0 0 0 0 1.2302 -2.2178 -0.0115 C 0 0 0 0 0 0 0 0 0 -0.0217 -2.7977 -0.0199 F 0 0 0 0 0 0 0 0 0 1.8994 -2.5953 -1.1568 F 0 0 0 0 0 0 0 0 0 1.9206 -2.6704 1.0930 F 0 0 0 0 0 0 0 0 0 1.1609 4.0978 -1.0709 O 0 0 0 0 0 0 0 0 0 1.1776 4.3751 1.1276 N 0 0 0 0 0 0 0 0 0 3.2891 -0.5147 0.0444 H 0 0 0 0 0 0 0 0 0 -0.9275 -0.5287 0.0791 H 0 0 0 0 0 0 0 0 0 1.1756 5.3373 1.0135 H 0 0 0 0 0 0 0 0 0 1.1849 3.9961 2.0171 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 M CHG 4 8 1 10 -1 11 1 13 -1 M END > 622640 > K $$$$ 622684 1016 111283D 622684 30 30 0 1 V2000 0.8765 2.2527 -1.1807 C 0 0 0 0 0 0 0 0 0 1.0304 0.9460 -1.6260 C 0 0 0 0 0 0 0 0 0 2.2987 0.3877 -1.7176 C 0 0 0 0 0 0 0 0 0 3.4128 1.1364 -1.3612 C 0 0 0 0 0 0 0 0 0 3.2578 2.4429 -0.9160 C 0 0 0 0 0 0 0 0 0 1.9901 3.0070 -0.8287 C 0 0 0 0 0 0 0 0 0 1.8284 4.4232 -0.3546 C 0 0 0 0 0 0 0 0 0 2.0306 4.4603 1.4499 S 0 0 0 0 0 0 0 0 0 1.5971 6.1200 1.9415 C 0 0 0 0 0 0 0 0 0 1.2156 6.9204 1.0605 N 0 0 0 0 0 0 0 0 0 1.6660 6.5399 3.2312 N 0 0 0 0 0 0 0 0 0 2.0945 5.7597 4.2486 C 0 0 0 0 0 0 0 0 0 2.4859 4.6325 4.0639 O 0 0 0 0 0 0 0 0 0 2.0681 6.2949 5.4969 O 0 0 0 0 0 0 0 0 0 2.5592 5.4106 6.4835 C 0 0 0 0 0 0 0 0 0 2.3143 6.0453 7.8467 C 0 0 0 0 0 0 0 0 0 -0.0860 2.6684 -1.1119 H 0 0 0 0 0 0 0 0 0 0.1869 0.3800 -1.8935 H 0 0 0 0 0 0 0 0 0 2.4155 -0.5999 -2.0560 H 0 0 0 0 0 0 0 0 0 4.3726 0.7145 -1.4281 H 0 0 0 0 0 0 0 0 0 4.1040 3.0040 -0.6458 H 0 0 0 0 0 0 0 0 0 2.5773 5.0545 -0.8108 H 0 0 0 0 0 0 0 0 0 0.8493 4.7999 -0.6134 H 0 0 0 0 0 0 0 0 0 0.9703 7.8311 1.2837 H 0 0 0 0 0 0 0 0 0 1.3991 7.4415 3.4561 H 0 0 0 0 0 0 0 0 0 2.0468 4.4581 6.4452 H 0 0 0 0 0 0 0 0 0 3.6206 5.2508 6.3477 H 0 0 0 0 0 0 0 0 0 2.7022 5.4041 8.6245 H 0 0 0 0 0 0 0 0 0 2.8070 7.0054 7.8921 H 0 0 0 0 0 0 0 0 0 1.2526 6.1823 7.9909 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END > 622684 > K $$$$ 622690 1016 111283D 622690 28 29 0 2 V2000 0.5927 2.3391 0.0042 S 0 0 0 0 0 0 0 0 0 2.4023 1.4443 -0.0191 S 0 0 0 0 0 0 0 0 0 1.7062 -0.1942 -0.0188 C 0 0 0 0 0 0 0 0 0 0.3462 -0.2551 -0.0041 N 0 0 0 0 0 0 0 0 0 -0.3217 0.8059 0.0069 C 0 0 0 0 0 0 0 0 0 -1.6861 0.7873 0.0202 N 0 0 0 0 0 0 0 0 0 -2.4171 2.0289 0.0328 C 0 0 0 0 0 0 0 0 0 -2.4287 -0.4495 0.0220 C 0 0 0 0 0 0 0 0 0 2.4458 -1.3104 -0.0322 C 0 3 0 0 0 0 0 0 0 1.9424 -2.5983 -0.0312 C 0 0 0 0 0 0 0 0 0 3.0240 -3.4567 -0.0478 C 0 0 0 0 0 0 0 0 0 4.1564 -2.7345 -0.0586 N 0 5 0 0 0 0 0 0 0 3.8270 -1.4318 -0.0493 C 0 0 0 0 0 0 0 0 0 4.8639 -0.3497 -0.0574 C 0 0 0 0 0 0 0 0 0 2.9702 -4.9521 -0.0532 C 0 0 0 0 0 0 0 0 0 -2.1762 2.6083 -0.8473 H 0 0 0 0 0 0 0 0 0 -3.4840 1.8547 0.0420 H 0 0 0 0 0 0 0 0 0 -2.1598 2.6001 0.9136 H 0 0 0 0 0 0 0 0 0 -1.7864 -1.3184 0.0125 H 0 0 0 0 0 0 0 0 0 -3.0484 -0.4960 0.9063 H 0 0 0 0 0 0 0 0 0 -3.0647 -0.4887 -0.8509 H 0 0 0 0 0 0 0 0 0 0.9333 -2.8823 -0.0203 H 0 0 0 0 0 0 0 0 0 5.8417 -0.8091 -0.0716 H 0 0 0 0 0 0 0 0 0 4.7540 0.2632 -0.9394 H 0 0 0 0 0 0 0 0 0 4.7760 0.2555 0.8323 H 0 0 0 0 0 0 0 0 0 3.9783 -5.3396 -0.0641 H 0 0 0 0 0 0 0 0 0 2.4638 -5.3026 0.8338 H 0 0 0 0 0 0 0 0 0 2.4475 -5.2955 -0.9335 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 9 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M CHG 2 9 1 12 -1 M END > 622690 > K $$$$ 622732 1016 111283D 622732 35 38 0 1 V2000 1.4350 -0.6985 -0.8777 C 0 0 0 0 0 0 0 0 0 0.7592 -0.2461 -2.0030 C 0 0 0 0 0 0 0 0 0 -0.4126 -1.2628 -2.7898 Cl 0 0 0 0 0 0 0 0 0 1.0205 1.0223 -2.5014 C 0 0 0 0 0 0 0 0 0 1.9587 1.8316 -1.8760 C 0 0 0 0 0 0 0 0 0 2.6409 1.3889 -0.7463 C 0 0 0 0 0 0 0 0 0 2.3729 0.1159 -0.2547 C 0 0 0 0 0 0 0 0 0 3.5678 2.1715 -0.1154 N 0 0 0 0 0 0 0 0 0 3.5957 3.5394 -0.1781 C 0 0 0 0 0 0 0 0 0 2.3961 4.2446 -0.1346 C 0 0 0 0 0 0 0 0 0 2.3770 5.6310 -0.1784 C 0 0 0 0 0 0 0 0 0 3.5712 6.3310 -0.2611 C 0 0 0 0 0 0 0 0 0 4.7754 5.6433 -0.3105 C 0 0 0 0 0 0 0 0 0 4.7950 4.2439 -0.2791 C 0 0 0 0 0 0 0 0 0 6.0208 3.5846 -0.3545 C 0 0 0 0 0 0 0 0 0 7.1711 4.3528 -0.4388 C 0 0 0 0 0 0 0 0 0 8.5092 4.0189 -0.5216 C 0 0 0 0 0 0 0 0 0 9.2277 5.1628 -0.5838 N 0 0 0 0 0 0 0 0 0 8.3574 6.2008 -0.5291 N 0 0 0 0 0 0 0 0 0 8.7263 7.5847 -0.5519 C 0 0 0 0 0 0 0 0 0 7.1019 5.7274 -0.4511 C 0 0 0 0 0 0 0 0 0 5.9191 6.3713 -0.3901 N 0 0 0 0 0 0 0 0 0 1.2348 -1.6572 -0.4991 H 0 0 0 0 0 0 0 0 0 0.5102 1.3701 -3.3510 H 0 0 0 0 0 0 0 0 0 2.1513 2.7859 -2.2676 H 0 0 0 0 0 0 0 0 0 2.8807 -0.2338 0.5953 H 0 0 0 0 0 0 0 0 0 4.2493 1.7249 0.4127 H 0 0 0 0 0 0 0 0 0 1.4871 3.7241 -0.0651 H 0 0 0 0 0 0 0 0 0 1.4624 6.1471 -0.1481 H 0 0 0 0 0 0 0 0 0 3.5658 7.3806 -0.2868 H 0 0 0 0 0 0 0 0 0 6.0860 2.5371 -0.3496 H 0 0 0 0 0 0 0 0 0 8.9024 3.0457 -0.5341 H 0 0 0 0 0 0 0 0 0 8.7659 7.9240 -1.5767 H 0 0 0 0 0 0 0 0 0 8.0038 8.1767 -0.0085 H 0 0 0 0 0 0 0 0 0 9.6991 7.7072 -0.0991 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 2 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 14 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 22 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 M END > 622732 > K $$$$ 623051 1016 111283D 623051 38 41 0 1 V2000 -0.3060 4.3367 -1.5911 C 0 0 0 0 0 0 0 0 0 -1.3051 3.3988 -1.8321 C 0 0 0 0 0 0 0 0 0 -1.1404 2.0717 -1.4428 C 0 0 0 0 0 0 0 0 0 0.0269 1.6608 -0.8057 C 0 0 0 0 0 0 0 0 0 0.8513 3.9129 -0.9558 C 0 0 0 0 0 0 0 0 0 1.0208 2.6005 -0.5676 C 0 0 0 0 0 0 0 0 0 1.9431 4.6053 -0.6140 N 0 0 0 0 0 0 0 0 0 2.7478 3.6943 -0.0259 C 0 0 0 0 0 0 0 0 0 2.2373 2.4119 0.0396 O 0 0 0 0 0 0 0 0 0 4.1003 4.0262 0.5236 C 0 0 0 0 0 0 0 0 0 5.0133 4.4791 -0.5706 C 0 0 0 0 0 0 0 0 0 5.9211 5.6629 -0.3565 C 0 0 0 0 0 0 0 0 0 5.8892 6.3930 0.7955 N 0 0 0 0 0 0 0 0 0 4.9306 6.1758 1.7389 C 0 0 0 0 0 0 0 0 0 3.9785 5.0108 1.6432 C 0 0 0 0 0 0 0 0 0 3.1097 4.8522 2.4685 O 0 0 0 0 0 0 0 0 0 4.8519 6.9393 2.6715 O 0 0 0 0 0 0 0 0 0 6.8326 7.3552 1.0087 C 0 0 0 0 0 0 0 0 0 8.1622 6.9926 1.2117 C 0 0 0 0 0 0 0 0 0 9.1242 7.9747 1.4162 C 0 0 0 0 0 0 0 0 0 8.7654 9.3153 1.4314 C 0 0 0 0 0 0 0 0 0 7.4398 9.6784 1.2373 C 0 0 0 0 0 0 0 0 0 6.4762 8.6997 1.0274 C 0 0 0 0 0 0 0 0 0 5.0133 3.8790 -1.6200 O 0 0 0 0 0 0 0 0 0 6.7005 5.9817 -1.2225 O 0 0 0 0 0 0 0 0 0 9.9793 10.5344 1.6941 Cl 0 0 0 0 0 0 0 0 0 8.5827 5.5485 1.2158 C 0 0 0 0 0 0 0 0 0 -0.4202 5.3392 -1.8803 H 0 0 0 0 0 0 0 0 0 -2.1917 3.6948 -2.3122 H 0 0 0 0 0 0 0 0 0 -1.9051 1.3755 -1.6324 H 0 0 0 0 0 0 0 0 0 0.1542 0.6608 -0.5107 H 0 0 0 0 0 0 0 0 0 4.5123 3.1171 0.9319 H 0 0 0 0 0 0 0 0 0 10.1293 7.7063 1.5619 H 0 0 0 0 0 0 0 0 0 7.1692 10.6934 1.2495 H 0 0 0 0 0 0 0 0 0 5.4747 8.9797 0.8806 H 0 0 0 0 0 0 0 0 0 8.8886 5.2680 0.2181 H 0 0 0 0 0 0 0 0 0 9.4091 5.4024 1.8954 H 0 0 0 0 0 0 0 0 0 7.7683 4.9125 1.5296 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 2 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 15 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 24 2 0 0 0 0 11 12 1 0 0 0 0 12 25 2 0 0 0 0 12 13 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 17 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 27 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 26 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 27 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 M END > 623051 > K $$$$ 623059 1016 111283D 623059 39 41 0 1 V2000 4.4911 1.0098 -6.2739 C 0 0 0 0 0 0 0 0 0 5.3230 -0.1023 -6.3653 C 0 0 0 0 0 0 0 0 0 5.0056 -1.0085 -7.3348 O 0 0 0 0 0 0 0 0 0 5.8247 -2.1518 -7.4865 C 0 0 0 0 0 0 0 0 0 6.4007 -0.2270 -5.4905 C 0 0 0 0 0 0 0 0 0 6.6155 0.7655 -4.5468 C 0 0 0 0 0 0 0 0 0 5.7832 1.8662 -4.4546 C 0 0 0 0 0 0 0 0 0 4.7100 2.0004 -5.3225 C 0 0 0 0 0 0 0 0 0 6.1294 2.7285 -3.4797 N 0 0 0 0 0 0 0 0 0 7.2300 2.3108 -2.8200 C 0 0 0 0 0 0 0 0 0 7.8606 0.8264 -3.3909 S 0 0 0 0 0 0 0 0 0 7.8108 2.9788 -1.7963 N 0 0 0 0 0 0 0 0 0 7.2972 4.1205 -1.2714 C 0 0 0 0 0 0 0 0 0 6.2334 4.5568 -1.6421 O 0 0 0 0 0 0 0 0 0 8.0605 4.8573 -0.2077 C 0 0 0 0 0 0 0 0 0 9.1491 4.4610 0.1400 O 0 0 0 0 0 0 0 0 0 7.4857 6.0810 0.4316 C 0 0 0 0 0 0 0 0 0 7.5972 5.8595 1.9069 C 0 0 0 0 0 0 0 0 0 8.3743 6.5404 2.5326 O 0 0 0 0 0 0 0 0 0 6.7781 4.8177 2.6225 C 0 0 0 0 0 0 0 0 0 7.0222 4.5896 3.9717 C 0 0 0 0 0 0 0 0 0 6.3016 3.6243 4.6625 C 0 0 0 0 0 0 0 0 0 5.3282 2.8832 4.0062 C 0 0 0 0 0 0 0 0 0 5.0702 3.1157 2.6621 C 0 0 0 0 0 0 0 0 0 5.7908 4.0821 1.9726 C 0 0 0 0 0 0 0 0 0 4.4323 1.6645 4.8655 Cl 0 0 0 0 0 0 0 0 0 3.6836 1.0967 -6.9395 H 0 0 0 0 0 0 0 0 0 6.8368 -1.8650 -7.7354 H 0 0 0 0 0 0 0 0 0 5.8212 -2.7464 -6.5838 H 0 0 0 0 0 0 0 0 0 5.4315 -2.7529 -8.2933 H 0 0 0 0 0 0 0 0 0 7.0469 -1.0517 -5.5328 H 0 0 0 0 0 0 0 0 0 4.0768 2.8358 -5.2597 H 0 0 0 0 0 0 0 0 0 8.6316 2.6248 -1.4214 H 0 0 0 0 0 0 0 0 0 8.0740 6.9421 0.1515 H 0 0 0 0 0 0 0 0 0 6.4561 6.2381 0.1447 H 0 0 0 0 0 0 0 0 0 7.7573 5.1495 4.4731 H 0 0 0 0 0 0 0 0 0 6.4930 3.4542 5.6809 H 0 0 0 0 0 0 0 0 0 4.3292 2.5595 2.1669 H 0 0 0 0 0 0 0 0 0 5.5776 4.2466 0.9576 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 11 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END > 623059 > K $$$$ 623093 1016 111283D 623093 56 59 0 1 V2000 1.9912 -15.2034 3.1781 N 0 0 0 0 0 0 0 0 0 1.3989 -16.2975 3.3149 C 0 0 0 0 0 0 0 0 0 0.7181 -16.8818 2.1132 C 0 0 0 0 0 0 0 0 0 0.1276 -17.9335 2.1923 O 0 0 0 0 0 0 0 0 0 0.7905 -16.1992 0.9385 N 0 0 0 0 0 0 0 0 0 1.4290 -14.9825 0.9483 C 0 0 0 0 0 0 0 0 0 2.1090 -14.5927 2.0806 N 0 0 0 0 0 0 0 0 0 1.3974 -16.9679 4.6527 C 0 0 0 0 0 0 0 0 0 0.1959 -17.5157 5.0890 C 0 0 0 0 0 0 0 0 0 0.1057 -18.0998 6.3435 C 0 0 0 0 0 0 0 0 0 1.2245 -18.1362 7.1624 C 0 0 0 0 0 0 0 0 0 2.4292 -17.6117 6.7134 C 0 0 0 0 0 0 0 0 0 2.5434 -17.0434 5.4490 C 0 0 0 0 0 0 0 0 0 3.7956 -16.6036 5.0973 N 0 0 0 0 0 0 0 0 0 4.3186 -16.6026 3.8290 C 0 0 0 0 0 0 0 0 0 3.7190 -17.1847 2.9549 O 0 0 0 0 0 0 0 0 0 5.6213 -15.9044 3.4822 C 0 0 0 0 0 0 0 0 0 6.5386 -16.0093 4.5103 F 0 0 0 0 0 0 0 0 0 6.2008 -16.4347 2.3447 F 0 0 0 0 0 0 0 0 0 5.4277 -14.5556 3.2588 F 0 0 0 0 0 0 0 0 0 1.3831 -14.0361 -0.2983 S 0 0 0 0 0 0 0 0 0 -1.1760 -17.3956 -0.1659 S 0 0 0 0 0 0 0 0 0 0.2405 -16.7361 -0.1925 C 0 0 0 0 0 0 0 0 0 0.9187 -16.7062 -1.3754 N 0 0 0 0 0 0 0 0 0 2.2832 -16.6733 -1.4531 C 0 0 0 0 0 0 0 0 0 2.8938 -16.0947 -2.5599 C 0 0 0 0 0 0 0 0 0 4.2790 -16.0246 -2.6436 C 0 0 0 0 0 0 0 0 0 5.0658 -16.5405 -1.6221 C 0 0 0 0 0 0 0 0 0 4.4652 -17.1379 -0.5229 C 0 0 0 0 0 0 0 0 0 3.0817 -17.2089 -0.4461 C 0 0 0 0 0 0 0 0 0 2.9515 -13.5230 2.0961 C 0 0 0 0 0 0 0 0 0 2.8293 -12.4832 3.2570 S 0 0 0 0 0 0 0 0 0 3.8891 -13.3786 1.1169 N 0 0 0 0 0 0 0 0 0 4.4812 -12.1921 0.8046 C 0 0 0 0 0 0 0 0 0 5.8676 -12.1157 0.7693 C 0 0 0 0 0 0 0 0 0 6.4974 -10.9160 0.4631 C 0 0 0 0 0 0 0 0 0 5.7409 -9.7870 0.1779 C 0 0 0 0 0 0 0 0 0 4.3543 -9.8597 0.2018 C 0 0 0 0 0 0 0 0 0 3.7271 -11.0588 0.5177 C 0 0 0 0 0 0 0 0 0 -0.6549 -17.4871 4.4718 H 0 0 0 0 0 0 0 0 0 -0.8051 -18.5099 6.6697 H 0 0 0 0 0 0 0 0 0 1.1596 -18.5617 8.1203 H 0 0 0 0 0 0 0 0 0 3.2692 -17.6494 7.3419 H 0 0 0 0 0 0 0 0 0 4.3683 -16.2722 5.8069 H 0 0 0 0 0 0 0 0 0 0.4040 -16.7110 -2.1984 H 0 0 0 0 0 0 0 0 0 2.3049 -15.7048 -3.3371 H 0 0 0 0 0 0 0 0 0 4.7327 -15.5804 -3.4801 H 0 0 0 0 0 0 0 0 0 6.1128 -16.4808 -1.6792 H 0 0 0 0 0 0 0 0 0 5.0522 -17.5371 0.2509 H 0 0 0 0 0 0 0 0 0 2.6433 -17.6761 0.3849 H 0 0 0 0 0 0 0 0 0 4.1522 -14.1701 0.6210 H 0 0 0 0 0 0 0 0 0 6.4410 -12.9694 0.9791 H 0 0 0 0 0 0 0 0 0 7.5462 -10.8624 0.4475 H 0 0 0 0 0 0 0 0 0 6.2163 -8.8795 -0.0556 H 0 0 0 0 0 0 0 0 0 3.7808 -9.0076 -0.0196 H 0 0 0 0 0 0 0 0 0 2.6786 -11.1084 0.5363 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 23 1 0 0 0 0 5 6 1 0 0 0 0 6 21 2 0 0 0 0 6 7 1 0 0 0 0 7 31 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 35 2 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 52 1 0 0 0 0 36 37 2 0 0 0 0 36 53 1 0 0 0 0 37 38 1 0 0 0 0 37 54 1 0 0 0 0 38 39 2 0 0 0 0 38 55 1 0 0 0 0 39 56 1 0 0 0 0 M END > 623093 > K $$$$ 623095 1016 111283D 623095 50 53 0 1 V2000 7.1874 -3.9729 -12.7496 N 0 0 0 0 0 0 0 0 0 5.9970 -3.6270 -12.5212 C 0 0 0 0 0 0 0 0 0 5.5472 -2.3323 -13.1514 C 0 0 0 0 0 0 0 0 0 4.4284 -1.9054 -12.9908 O 0 0 0 0 0 0 0 0 0 6.4271 -1.6353 -13.9143 N 0 0 0 0 0 0 0 0 0 7.5582 -2.1275 -14.1184 C 0 0 0 0 0 0 0 0 0 7.9313 -3.3226 -13.5683 N 0 0 0 0 0 0 0 0 0 5.0185 -4.4165 -11.6802 C 0 0 0 0 0 0 0 0 0 3.7277 -4.5040 -12.1964 C 0 0 0 0 0 0 0 0 0 2.7367 -5.2250 -11.5473 C 0 0 0 0 0 0 0 0 0 3.0337 -5.8781 -10.3618 C 0 0 0 0 0 0 0 0 0 4.3124 -5.7850 -9.8312 C 0 0 0 0 0 0 0 0 0 5.3085 -5.0463 -10.4636 C 0 0 0 0 0 0 0 0 0 6.5043 -5.0159 -9.7994 N 0 0 0 0 0 0 0 0 0 7.3680 -3.9577 -9.7930 C 0 0 0 0 0 0 0 0 0 6.9670 -2.8933 -10.2036 O 0 0 0 0 0 0 0 0 0 8.7901 -4.0828 -9.2829 C 0 0 0 0 0 0 0 0 0 8.8368 -3.7495 -7.9425 F 0 0 0 0 0 0 0 0 0 9.2628 -5.3770 -9.4033 F 0 0 0 0 0 0 0 0 0 9.6530 -3.2528 -9.9734 F 0 0 0 0 0 0 0 0 0 8.7843 -1.3397 -15.1323 S 0 0 0 0 0 0 0 0 0 9.8475 -2.7406 -14.9073 C 0 0 0 0 0 0 0 0 0 9.1656 -3.7241 -13.9928 C 0 0 0 0 0 0 0 0 0 9.6687 -4.7723 -13.6652 O 0 0 0 0 0 0 0 0 0 11.0603 -2.9101 -15.4615 C 0 0 0 0 0 0 0 0 0 11.8294 -1.8432 -16.2145 C 0 0 0 0 0 0 0 0 0 12.7508 -2.2188 -17.1861 C 0 0 0 0 0 0 0 0 0 13.4665 -1.2640 -17.9008 C 0 0 0 0 0 0 0 0 0 13.2901 0.0977 -17.6679 C 0 0 0 0 0 0 0 0 0 13.9953 1.0487 -18.3720 N 0 0 0 0 0 0 0 0 0 14.6799 0.7247 -19.6017 C 0 0 0 0 0 0 0 0 0 14.0819 2.4152 -17.9106 C 0 0 0 0 0 0 0 0 0 12.3697 0.4663 -16.6908 C 0 0 0 0 0 0 0 0 0 11.6573 -0.4847 -15.9708 C 0 0 0 0 0 0 0 0 0 3.4868 -4.0210 -13.0981 H 0 0 0 0 0 0 0 0 0 1.7687 -5.2755 -11.9535 H 0 0 0 0 0 0 0 0 0 2.2944 -6.4385 -9.8688 H 0 0 0 0 0 0 0 0 0 4.5258 -6.2822 -8.9306 H 0 0 0 0 0 0 0 0 0 6.7592 -5.7993 -9.2854 H 0 0 0 0 0 0 0 0 0 11.5078 -3.8556 -15.3647 H 0 0 0 0 0 0 0 0 0 12.9120 -3.2366 -17.3893 H 0 0 0 0 0 0 0 0 0 14.1519 -1.5860 -18.6272 H 0 0 0 0 0 0 0 0 0 14.0639 0.0926 -20.2247 H 0 0 0 0 0 0 0 0 0 14.9129 1.6144 -20.1704 H 0 0 0 0 0 0 0 0 0 15.6047 0.2139 -19.3748 H 0 0 0 0 0 0 0 0 0 14.2875 2.4425 -16.8501 H 0 0 0 0 0 0 0 0 0 14.8742 2.9548 -18.4104 H 0 0 0 0 0 0 0 0 0 13.1488 2.9239 -18.1069 H 0 0 0 0 0 0 0 0 0 12.2014 1.4811 -16.4859 H 0 0 0 0 0 0 0 0 0 10.9879 -0.1555 -15.2349 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 21 1 0 0 0 0 6 7 1 0 0 0 0 7 23 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 34 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 28 29 2 0 0 0 0 28 42 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 33 34 2 0 0 0 0 33 49 1 0 0 0 0 34 50 1 0 0 0 0 M END > 623095 > K $$$$ 623135 1016 111283D 623135 42 45 0 1 V2000 2.7548 5.6488 0.2790 C 0 0 0 0 0 0 0 0 0 4.0022 6.1910 0.4539 C 0 0 0 0 0 0 0 0 0 2.6135 4.2511 0.1829 C 0 0 0 0 0 0 0 0 0 3.7993 3.4206 0.2449 C 0 0 0 0 0 0 0 0 0 5.0538 4.0259 0.4505 C 0 0 0 0 0 0 0 0 0 5.1351 5.3911 0.5451 C 0 0 0 0 0 0 0 0 0 1.3482 3.6642 0.0173 C 0 0 0 0 0 0 0 0 0 1.2191 2.2744 0.0135 C 0 0 0 0 0 0 0 0 0 2.4220 1.4608 -0.1014 C 0 0 0 0 0 0 0 0 0 3.6857 2.0333 0.0838 C 0 0 0 0 0 0 0 0 0 -0.0493 1.5785 0.1571 C 0 0 0 0 0 0 0 0 0 -0.1256 0.2175 -0.2307 C 0 0 0 0 0 0 0 0 0 1.0703 -0.5190 -0.5484 C 0 0 0 0 0 0 0 0 0 2.3046 0.0633 -0.4468 C 0 0 0 0 0 0 0 0 0 -1.1939 2.1497 0.7295 C 0 0 0 0 0 0 0 0 0 -2.4065 1.4844 0.7039 C 0 0 0 0 0 0 0 0 0 -2.4977 0.2039 0.1759 C 0 0 0 0 0 0 0 0 0 -1.3672 -0.4345 -0.2723 C 0 0 0 0 0 0 0 0 0 4.9199 1.1580 0.1085 C 0 0 0 0 0 0 0 0 0 0.1591 4.5650 -0.2252 C 0 0 0 0 0 0 0 0 0 0.9908 -1.8067 -0.9493 F 0 0 0 0 0 0 0 0 0 6.6482 0.4359 -1.4200 C 0 0 0 0 0 0 0 0 0 7.2809 0.4272 -2.7873 C 0 0 0 0 0 0 0 0 0 5.4913 1.0985 -1.2171 O 0 0 0 0 0 0 0 0 0 7.1751 -0.1493 -0.5050 O 0 0 0 0 0 0 0 0 0 1.9187 6.3225 0.2229 H 0 0 0 0 0 0 0 0 0 4.1004 7.2572 0.5220 H 0 0 0 0 0 0 0 0 0 5.9626 3.4579 0.5380 H 0 0 0 0 0 0 0 0 0 6.0950 5.8470 0.6923 H 0 0 0 0 0 0 0 0 0 3.1662 -0.5552 -0.6436 H 0 0 0 0 0 0 0 0 0 -1.1503 3.0888 1.2513 H 0 0 0 0 0 0 0 0 0 -3.2831 1.9618 1.1011 H 0 0 0 0 0 0 0 0 0 -3.4486 -0.2886 0.1182 H 0 0 0 0 0 0 0 0 0 -1.4399 -1.4381 -0.6519 H 0 0 0 0 0 0 0 0 0 5.6450 1.5772 0.8044 H 0 0 0 0 0 0 0 0 0 4.6448 0.1563 0.4364 H 0 0 0 0 0 0 0 0 0 -0.2452 4.9072 0.7248 H 0 0 0 0 0 0 0 0 0 0.4753 5.4237 -0.8166 H 0 0 0 0 0 0 0 0 0 -0.6062 4.0147 -0.7708 H 0 0 0 0 0 0 0 0 0 7.5066 1.4486 -3.0899 H 0 0 0 0 0 0 0 0 0 8.2014 -0.1541 -2.7564 H 0 0 0 0 0 0 0 0 0 6.5930 -0.0200 -3.5032 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 26 1 0 0 0 0 2 6 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 7 2 0 0 0 0 4 10 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 20 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 21 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > 623135 > K $$$$ 623527 1016 111283D 623527 119120 1 2 V2000 -6.0396 -28.0482 29.3674 C 0 0 0 0 0 0 0 0 0 -6.6575 -26.6651 29.1735 C 0 0 0 0 0 0 0 0 0 -5.6128 -25.5592 29.3323 C 0 0 0 0 0 0 0 0 0 -6.2405 -24.1780 29.1317 C 0 0 0 0 0 0 0 0 0 -5.2281 -23.0343 29.2559 C 0 0 0 0 0 0 0 0 0 -4.5405 -22.9141 30.6219 C 0 0 0 0 0 0 0 0 0 -5.4929 -22.7407 31.8097 C 0 0 0 0 0 0 0 0 0 -6.2858 -21.4311 31.7467 C 0 0 0 0 0 0 0 0 0 -7.2428 -21.2331 32.9273 C 0 0 0 0 0 0 0 0 0 -8.3020 -22.3267 33.0930 C 0 0 0 0 0 0 0 0 0 -9.2096 -22.4981 31.8684 C 0 0 0 0 0 0 0 0 0 -10.2294 -23.6301 32.0270 C 0 0 0 0 0 0 0 0 0 -9.5433 -24.9937 32.1247 C 0 0 0 0 0 0 0 0 0 -10.5343 -26.1495 32.2737 C 0 0 0 0 0 0 0 0 0 -9.8265 -27.5014 32.4160 C 0 0 0 0 0 0 0 0 0 -8.9703 -27.5897 33.6833 C 0 0 0 0 0 0 0 0 0 -8.2814 -28.9467 33.8200 C 0 0 0 0 0 0 0 0 0 -7.3893 -28.9792 35.0612 C 0 0 0 0 0 0 0 0 0 -6.7615 -30.2408 35.1658 O 0 0 0 0 0 0 0 0 0 -5.5450 -30.3462 34.4477 C 0 0 0 0 0 0 0 0 0 -4.9566 -31.7397 34.6542 C 0 0 1 0 0 0 0 0 0 -3.8698 -31.9839 33.6036 C 0 0 0 0 0 0 0 0 0 -2.9083 -30.9476 33.6629 O 0 0 0 0 0 0 0 0 0 -1.8713 -31.0905 32.7113 C 0 0 0 0 0 0 0 0 0 -0.7777 -30.0779 33.0324 C 0 0 0 0 0 0 0 0 0 -1.2994 -28.7709 32.8810 O 0 0 0 0 0 0 0 0 0 -0.4482 -27.7491 33.3598 C 0 0 0 0 0 0 0 0 0 -1.3513 -26.8686 34.2334 C 0 0 0 0 0 0 0 0 0 -0.7371 -25.6654 34.8420 N 0 3 0 0 0 0 0 0 0 -4.4235 -31.8156 35.9654 O 0 0 0 0 0 0 0 0 0 -4.2014 -33.0718 36.4368 C 0 0 0 0 0 0 0 0 0 -3.6752 -33.2134 37.6731 N 0 0 0 0 0 0 0 0 0 -3.4364 -34.4338 38.2028 C 0 0 0 0 0 0 0 0 0 -3.7300 -35.5740 37.4702 C 0 0 0 0 0 0 0 0 0 -4.2670 -35.4194 36.2012 C 0 0 0 0 0 0 0 0 0 -4.4889 -34.1795 35.7115 N 0 0 0 0 0 0 0 0 0 -1.6167 -25.0029 35.8274 C 0 0 0 0 0 0 0 0 0 0.4107 -26.1283 35.6557 C 0 0 0 0 0 0 0 0 0 0.5722 -25.1496 36.8086 C 0 0 0 0 0 0 0 0 0 -0.8952 -24.9959 37.1775 C 0 0 0 0 0 0 0 0 0 -0.3699 -24.7455 33.7283 C 0 0 0 0 0 0 0 0 0 0.0859 -23.2921 33.9647 C 0 0 0 0 0 0 0 0 0 0.7059 -22.6118 32.7331 C 0 0 0 0 0 0 0 0 0 2.2402 -22.6407 32.6681 C 0 0 0 0 0 0 0 0 0 2.8686 -23.9737 32.2569 C 0 0 0 0 0 0 0 0 0 2.5960 -25.0429 33.2620 C 0 0 0 0 0 0 0 0 0 2.6427 -26.2419 32.9578 O 0 0 0 0 0 0 0 0 0 2.2795 -24.6948 34.5294 O 0 5 0 0 0 0 0 0 0 -5.6134 -28.1280 30.3571 H 0 0 0 0 0 0 0 0 0 -6.8042 -28.8026 29.2512 H 0 0 0 0 0 0 0 0 0 -5.2666 -28.2134 28.6305 H 0 0 0 0 0 0 0 0 0 -7.0913 -26.6108 28.1850 H 0 0 0 0 0 0 0 0 0 -7.4394 -26.5280 29.9065 H 0 0 0 0 0 0 0 0 0 -5.1870 -25.6240 30.3230 H 0 0 0 0 0 0 0 0 0 -4.8285 -25.6998 28.6018 H 0 0 0 0 0 0 0 0 0 -6.6697 -24.1376 28.1403 H 0 0 0 0 0 0 0 0 0 -7.0382 -24.0363 29.8458 H 0 0 0 0 0 0 0 0 0 -4.4642 -23.1703 28.5033 H 0 0 0 0 0 0 0 0 0 -5.7379 -22.1068 29.0392 H 0 0 0 0 0 0 0 0 0 -3.9438 -23.7993 30.7879 H 0 0 0 0 0 0 0 0 0 -3.8694 -22.0674 30.5908 H 0 0 0 0 0 0 0 0 0 -6.1677 -23.5827 31.8420 H 0 0 0 0 0 0 0 0 0 -4.9081 -22.7442 32.7185 H 0 0 0 0 0 0 0 0 0 -5.5857 -20.6076 31.7404 H 0 0 0 0 0 0 0 0 0 -6.8539 -21.3908 30.8299 H 0 0 0 0 0 0 0 0 0 -6.6609 -21.1889 33.8372 H 0 0 0 0 0 0 0 0 0 -7.7451 -20.2845 32.8022 H 0 0 0 0 0 0 0 0 0 -7.7896 -23.2498 33.3142 H 0 0 0 0 0 0 0 0 0 -8.9199 -22.0777 33.9443 H 0 0 0 0 0 0 0 0 0 -9.7443 -21.5733 31.7046 H 0 0 0 0 0 0 0 0 0 -8.6134 -22.7064 30.9926 H 0 0 0 0 0 0 0 0 0 -10.8255 -23.4576 32.9121 H 0 0 0 0 0 0 0 0 0 -10.8823 -23.6299 31.1655 H 0 0 0 0 0 0 0 0 0 -8.9374 -25.1529 31.2441 H 0 0 0 0 0 0 0 0 0 -8.9069 -24.9829 32.9938 H 0 0 0 0 0 0 0 0 0 -11.1545 -25.9810 33.1429 H 0 0 0 0 0 0 0 0 0 -11.1694 -26.1808 31.3995 H 0 0 0 0 0 0 0 0 0 -10.5795 -28.2760 32.4537 H 0 0 0 0 0 0 0 0 0 -9.2057 -27.6699 31.5471 H 0 0 0 0 0 0 0 0 0 -8.1975 -26.8366 33.6516 H 0 0 0 0 0 0 0 0 0 -9.5964 -27.4160 34.5474 H 0 0 0 0 0 0 0 0 0 -9.0226 -29.7289 33.9009 H 0 0 0 0 0 0 0 0 0 -7.6770 -29.1263 32.9432 H 0 0 0 0 0 0 0 0 0 -6.6671 -28.1741 35.0305 H 0 0 0 0 0 0 0 0 0 -8.0095 -28.8427 35.9360 H 0 0 0 0 0 0 0 0 0 -5.7292 -30.1894 33.3947 H 0 0 0 0 0 0 0 0 0 -4.8203 -29.6228 34.7946 H 0 0 0 0 0 0 0 0 0 -5.7613 -32.4487 34.5166 H 0 0 0 0 0 0 0 0 0 -3.4058 -32.9402 33.7979 H 0 0 0 0 0 0 0 0 0 -4.3287 -32.0095 32.6250 H 0 0 0 0 0 0 0 0 0 -1.4432 -32.0827 32.7512 H 0 0 0 0 0 0 0 0 0 -2.2445 -30.8956 31.7158 H 0 0 0 0 0 0 0 0 0 -0.4583 -30.2563 34.0501 H 0 0 0 0 0 0 0 0 0 0.0574 -30.2242 32.3613 H 0 0 0 0 0 0 0 0 0 0.3845 -28.1231 33.9412 H 0 0 0 0 0 0 0 0 0 -0.0519 -27.2039 32.5156 H 0 0 0 0 0 0 0 0 0 -2.1974 -26.5969 33.6171 H 0 0 0 0 0 0 0 0 0 -1.7337 -27.5294 35.0004 H 0 0 0 0 0 0 0 0 0 -3.0290 -34.5160 39.1678 H 0 0 0 0 0 0 0 0 0 -3.5508 -36.5297 37.8663 H 0 0 0 0 0 0 0 0 0 -4.5014 -36.2627 35.6200 H 0 0 0 0 0 0 0 0 0 -1.8271 -23.9754 35.5685 H 0 0 0 0 0 0 0 0 0 -2.5724 -25.4963 35.9450 H 0 0 0 0 0 0 0 0 0 0.1983 -27.0770 36.1318 H 0 0 0 0 0 0 0 0 0 1.3243 -26.3013 35.1085 H 0 0 0 0 0 0 0 0 0 1.1608 -25.5610 37.6160 H 0 0 0 0 0 0 0 0 0 1.0090 -24.2187 36.4884 H 0 0 0 0 0 0 0 0 0 -1.0790 -24.0939 37.7434 H 0 0 0 0 0 0 0 0 0 -1.2052 -25.8568 37.7537 H 0 0 0 0 0 0 0 0 0 0.3716 -25.2256 33.1206 H 0 0 0 0 0 0 0 0 0 -1.2201 -24.6329 33.0705 H 0 0 0 0 0 0 0 0 0 -0.7867 -22.7159 34.2312 H 0 0 0 0 0 0 0 0 0 0.7865 -23.2022 34.7756 H 0 0 0 0 0 0 0 0 0 0.2872 -23.0072 31.8191 H 0 0 0 0 0 0 0 0 0 0.4422 -21.5656 32.7936 H 0 0 0 0 0 0 0 0 0 2.5566 -21.9081 31.9399 H 0 0 0 0 0 0 0 0 0 2.6437 -22.3479 33.6280 H 0 0 0 0 0 0 0 0 0 2.4961 -24.2847 31.2934 H 0 0 0 0 0 0 0 0 0 3.9402 -23.8502 32.1985 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 52 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 54 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 56 1 0 0 0 0 4 57 1 0 0 0 0 5 6 1 0 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 6 7 1 0 0 0 0 6 60 1 0 0 0 0 6 61 1 0 0 0 0 7 8 1 0 0 0 0 7 62 1 0 0 0 0 7 63 1 0 0 0 0 8 9 1 0 0 0 0 8 64 1 0 0 0 0 8 65 1 0 0 0 0 9 10 1 0 0 0 0 9 66 1 0 0 0 0 9 67 1 0 0 0 0 10 11 1 0 0 0 0 10 68 1 0 0 0 0 10 69 1 0 0 0 0 11 12 1 0 0 0 0 11 70 1 0 0 0 0 11 71 1 0 0 0 0 12 13 1 0 0 0 0 12 72 1 0 0 0 0 12 73 1 0 0 0 0 13 14 1 0 0 0 0 13 74 1 0 0 0 0 13 75 1 0 0 0 0 14 15 1 0 0 0 0 14 76 1 0 0 0 0 14 77 1 0 0 0 0 15 16 1 0 0 0 0 15 78 1 0 0 0 0 15 79 1 0 0 0 0 16 17 1 0 0 0 0 16 80 1 0 0 0 0 16 81 1 0 0 0 0 17 18 1 0 0 0 0 17 82 1 0 0 0 0 17 83 1 0 0 0 0 18 19 1 0 0 0 0 18 84 1 0 0 0 0 18 85 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 86 1 0 0 0 0 20 87 1 0 0 0 0 21 30 1 0 0 0 0 21 22 1 0 0 0 0 21 88 1 1 0 0 0 22 23 1 0 0 0 0 22 89 1 0 0 0 0 22 90 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 91 1 0 0 0 0 24 92 1 0 0 0 0 25 26 1 0 0 0 0 25 93 1 0 0 0 0 25 94 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 95 1 0 0 0 0 27 96 1 0 0 0 0 28 29 1 0 0 0 0 28 97 1 0 0 0 0 28 98 1 0 0 0 0 29 41 1 0 0 0 0 29 37 1 0 0 0 0 29 38 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 99 1 0 0 0 0 34 35 1 0 0 0 0 34100 1 0 0 0 0 35 36 2 0 0 0 0 35101 1 0 0 0 0 37 40 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 38 39 1 0 0 0 0 38104 1 0 0 0 0 38105 1 0 0 0 0 39 40 1 0 0 0 0 39106 1 0 0 0 0 39107 1 0 0 0 0 40108 1 0 0 0 0 40109 1 0 0 0 0 41 42 1 0 0 0 0 41110 1 0 0 0 0 41111 1 0 0 0 0 42 43 1 0 0 0 0 42112 1 0 0 0 0 42113 1 0 0 0 0 43 44 1 0 0 0 0 43114 1 0 0 0 0 43115 1 0 0 0 0 44 45 1 0 0 0 0 44116 1 0 0 0 0 44117 1 0 0 0 0 45 46 1 0 0 0 0 45118 1 0 0 0 0 45119 1 0 0 0 0 46 48 1 0 0 0 0 46 47 2 0 0 0 0 M CHG 2 29 1 48 -1 M END > 623527 > K $$$$ 623637 1016 111283D 623637 40 42 0 1 V2000 11.3036 8.3462 -3.5757 C 0 0 0 0 0 0 0 0 0 9.9611 8.1498 -3.8695 C 0 0 0 0 0 0 0 0 0 9.3755 6.9112 -3.6387 C 0 0 0 0 0 0 0 0 0 10.1431 5.8739 -3.1220 C 0 0 0 0 0 0 0 0 0 11.4897 6.0672 -2.8310 C 0 0 0 0 0 0 0 0 0 12.3459 4.9590 -2.2739 C 0 0 0 0 0 0 0 0 0 11.8009 3.5761 -2.0429 C 0 0 0 0 0 0 0 0 0 13.6226 5.2358 -1.9835 C 0 0 0 0 0 0 0 0 0 14.1499 6.6118 -2.2489 C 0 0 0 0 0 0 0 0 0 15.2983 6.8556 -1.9680 O 0 0 0 0 0 0 0 0 0 13.3816 7.5949 -2.7958 O 0 0 0 0 0 0 0 0 0 12.0721 7.3130 -3.0567 C 0 0 0 0 0 0 0 0 0 10.8554 3.6543 -0.9947 O 0 0 0 0 0 0 0 0 0 9.9055 2.6780 -0.9399 C 0 0 0 0 0 0 0 0 0 8.6069 3.0256 -0.5872 C 0 0 0 0 0 0 0 0 0 8.2749 4.4573 -0.2903 C 0 0 0 0 0 0 0 0 0 7.1409 4.7514 0.0093 O 0 0 0 0 0 0 0 0 0 9.2393 5.4144 -0.3589 O 0 0 0 0 0 0 0 0 0 8.7578 6.7185 -0.1142 C 0 0 0 0 0 0 0 0 0 7.6166 2.0525 -0.5112 C 0 0 0 0 0 0 0 0 0 7.9155 0.7294 -0.8069 C 0 0 0 0 0 0 0 0 0 9.2095 0.3777 -1.1651 C 0 0 0 0 0 0 0 0 0 10.2005 1.3482 -1.2227 C 0 0 0 0 0 0 0 0 0 7.9212 6.6936 -3.9470 C 0 0 0 0 0 0 0 0 0 11.7470 9.2827 -3.7456 H 0 0 0 0 0 0 0 0 0 9.3925 8.9403 -4.2649 H 0 0 0 0 0 0 0 0 0 9.6972 4.9392 -2.9499 H 0 0 0 0 0 0 0 0 0 11.3504 3.2319 -2.9641 H 0 0 0 0 0 0 0 0 0 12.5917 2.8941 -1.7652 H 0 0 0 0 0 0 0 0 0 14.2585 4.5081 -1.5754 H 0 0 0 0 0 0 0 0 0 8.2081 6.7550 0.8162 H 0 0 0 0 0 0 0 0 0 9.5967 7.3965 -0.0568 H 0 0 0 0 0 0 0 0 0 8.1190 7.0329 -0.9267 H 0 0 0 0 0 0 0 0 0 6.6385 2.3156 -0.2310 H 0 0 0 0 0 0 0 0 0 7.1650 -0.0042 -0.7603 H 0 0 0 0 0 0 0 0 0 9.4403 -0.6213 -1.3920 H 0 0 0 0 0 0 0 0 0 11.1789 1.0727 -1.4811 H 0 0 0 0 0 0 0 0 0 7.8209 6.3763 -4.9750 H 0 0 0 0 0 0 0 0 0 7.5115 5.9312 -3.3003 H 0 0 0 0 0 0 0 0 0 7.3636 7.6080 -3.8041 H 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 13 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END > 623637 > K $$$$ 623746 1016 111283D 623746 50 52 0 1 V2000 5.9500 3.8176 -31.6834 C 0 0 0 0 0 0 0 0 0 5.8506 5.2612 -32.0637 C 0 0 0 0 0 0 0 0 0 5.4557 6.0468 -31.0545 C 0 0 0 0 0 0 0 0 0 5.1760 5.1001 -29.5694 S 0 0 0 0 0 0 0 0 0 5.6197 3.4837 -30.2621 C 0 0 0 0 0 0 0 0 0 5.2783 7.4008 -31.1035 N 0 0 0 0 0 0 0 0 0 4.4519 8.0716 -30.2460 C 0 0 0 0 0 0 0 0 0 4.7331 9.3858 -29.8889 C 0 0 0 0 0 0 0 0 0 3.9228 10.0649 -28.9848 C 0 0 0 0 0 0 0 0 0 2.8168 9.4411 -28.4187 C 0 0 0 0 0 0 0 0 0 2.5110 8.1428 -28.8109 C 0 0 0 0 0 0 0 0 0 3.3171 7.4677 -29.7154 C 0 0 0 0 0 0 0 0 0 2.0485 10.0965 -27.4992 N 0 0 0 0 0 0 0 0 0 1.4455 9.4503 -26.4576 C 0 0 0 0 0 0 0 0 0 2.0526 7.8975 -25.8271 S 0 0 0 0 0 0 0 0 0 0.8516 7.7384 -24.4767 C 0 0 0 0 0 0 0 0 0 -0.0203 8.9398 -24.6695 C 0 0 0 0 0 0 0 0 0 0.3661 9.8621 -25.7820 C 0 0 0 0 0 0 0 0 0 6.2763 2.9554 -32.4629 O 0 0 0 0 0 0 0 0 0 6.1717 5.7126 -33.4547 C 0 0 0 0 0 0 0 0 0 6.4578 4.8816 -34.2842 O 0 0 0 0 0 0 0 0 0 6.1475 7.0305 -33.7968 O 0 0 0 0 0 0 0 0 0 6.3569 7.2223 -35.1825 C 0 0 0 0 0 0 0 0 0 6.4031 8.7168 -35.4708 C 0 0 0 0 0 0 0 0 0 -0.4221 11.1031 -26.0613 C 0 0 0 0 0 0 0 0 0 -0.1223 11.8329 -26.9771 O 0 0 0 0 0 0 0 0 0 -1.4835 11.3890 -25.2604 O 0 0 0 0 0 0 0 0 0 -2.2259 12.5212 -25.6578 C 0 0 0 0 0 0 0 0 0 -3.3980 12.6461 -24.6909 C 0 0 0 0 0 0 0 0 0 -0.9750 9.1329 -23.9562 O 0 0 0 0 0 0 0 0 0 4.7873 2.7976 -30.2148 H 0 0 0 0 0 0 0 0 0 6.4851 3.0741 -29.7627 H 0 0 0 0 0 0 0 0 0 5.7612 7.9130 -31.7735 H 0 0 0 0 0 0 0 0 0 5.5683 9.8686 -30.3034 H 0 0 0 0 0 0 0 0 0 4.1501 11.0560 -28.7234 H 0 0 0 0 0 0 0 0 0 1.6619 7.6614 -28.4255 H 0 0 0 0 0 0 0 0 0 3.0569 6.4913 -29.9970 H 0 0 0 0 0 0 0 0 0 1.9328 11.0573 -27.5908 H 0 0 0 0 0 0 0 0 0 0.2766 6.8292 -24.5679 H 0 0 0 0 0 0 0 0 0 1.3442 7.7877 -23.5170 H 0 0 0 0 0 0 0 0 0 7.2910 6.7776 -35.5006 H 0 0 0 0 0 0 0 0 0 5.5454 6.7795 -35.7452 H 0 0 0 0 0 0 0 0 0 7.2488 9.1553 -34.9620 H 0 0 0 0 0 0 0 0 0 6.5016 8.8769 -36.5348 H 0 0 0 0 0 0 0 0 0 5.4932 9.1797 -35.1186 H 0 0 0 0 0 0 0 0 0 -1.6183 13.4145 -25.6097 H 0 0 0 0 0 0 0 0 0 -2.6069 12.3961 -26.6625 H 0 0 0 0 0 0 0 0 0 -4.0058 13.4984 -24.9565 H 0 0 0 0 0 0 0 0 0 -3.9975 11.7486 -24.7375 H 0 0 0 0 0 0 0 0 0 -3.0267 12.7689 -23.6838 H 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 20 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 30 2 0 0 0 0 17 18 1 0 0 0 0 18 25 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END > 623746 > K $$$$ 624158 1016 111283D 624158 46 47 0 1 V2000 5.0415 -16.1148 3.7295 H 0 0 0 0 0 0 0 0 0 4.0656 -16.4399 3.9448 C 0 0 0 0 0 0 0 0 0 3.4218 -17.2394 3.0841 C 0 0 0 0 0 0 0 0 0 2.4517 -17.5800 3.3033 H 0 0 0 0 0 0 0 0 0 4.0765 -17.6603 1.8031 C 0 0 0 0 0 0 0 0 0 4.9873 -19.1963 2.1143 S 0 0 0 0 0 0 0 0 0 6.5092 -19.1146 0.7651 S 0 0 0 0 0 0 0 0 0 7.3121 -20.2912 0.8859 O 0 0 0 0 0 0 0 0 0 5.9581 -19.0414 -0.5522 O 0 0 0 0 0 0 0 0 0 7.5188 -17.6716 1.0551 C 0 0 0 0 0 0 0 0 0 7.5510 -17.0600 2.3023 C 0 0 0 0 0 0 0 0 0 8.3244 -15.9234 2.5010 C 0 0 0 0 0 0 0 0 0 9.0730 -15.3960 1.4551 C 0 0 0 0 0 0 0 0 0 9.8951 -14.1562 1.6645 C 0 0 0 0 0 0 0 0 0 9.0578 -16.0223 0.2143 C 0 0 0 0 0 0 0 0 0 8.2819 -17.1567 0.0155 C 0 0 0 0 0 0 0 0 0 3.4123 -15.9924 5.2180 C 0 0 0 0 0 0 0 0 0 2.0749 -14.8240 4.8358 S 0 0 0 0 0 0 0 0 0 3.0128 -13.2498 3.9410 S 0 0 0 0 0 0 0 0 0 2.0540 -12.2300 3.6499 O 0 0 0 0 0 0 0 0 0 4.0116 -12.7342 4.8250 O 0 0 0 0 0 0 0 0 0 3.7810 -13.7859 2.4242 C 0 0 0 0 0 0 0 0 0 5.1514 -13.6426 2.2491 C 0 0 0 0 0 0 0 0 0 5.7491 -14.0647 1.0688 C 0 0 0 0 0 0 0 0 0 4.9794 -14.6305 0.0592 C 0 0 0 0 0 0 0 0 0 5.6260 -15.0878 -1.2166 C 0 0 0 0 0 0 0 0 0 3.6079 -14.7725 0.2367 C 0 0 0 0 0 0 0 0 0 3.0091 -14.3486 1.4160 C 0 0 0 0 0 0 0 0 0 3.3351 -17.8245 1.0348 H 0 0 0 0 0 0 0 0 0 4.7692 -16.9039 1.4687 H 0 0 0 0 0 0 0 0 0 6.9903 -17.4548 3.0973 H 0 0 0 0 0 0 0 0 0 8.3408 -15.4627 3.4453 H 0 0 0 0 0 0 0 0 0 10.8758 -14.4358 2.0209 H 0 0 0 0 0 0 0 0 0 9.9982 -13.6125 0.7366 H 0 0 0 0 0 0 0 0 0 9.4235 -13.5128 2.3930 H 0 0 0 0 0 0 0 0 0 9.6320 -15.6397 -0.5782 H 0 0 0 0 0 0 0 0 0 8.2696 -17.6275 -0.9236 H 0 0 0 0 0 0 0 0 0 3.0067 -16.8431 5.7458 H 0 0 0 0 0 0 0 0 0 4.1417 -15.5009 5.8452 H 0 0 0 0 0 0 0 0 0 5.7350 -13.2142 3.0106 H 0 0 0 0 0 0 0 0 0 6.7855 -13.9531 0.9419 H 0 0 0 0 0 0 0 0 0 5.9062 -16.1264 -1.1193 H 0 0 0 0 0 0 0 0 0 4.9376 -14.9850 -2.0427 H 0 0 0 0 0 0 0 0 0 6.5084 -14.4993 -1.4226 H 0 0 0 0 0 0 0 0 0 3.0194 -15.2006 -0.5213 H 0 0 0 0 0 0 0 0 0 1.9720 -14.4533 1.5467 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 17 1 0 0 0 0 2 3 2 0 0 0 0 3 5 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > 624158 > K $$$$ 624161 1016 111283D 624161 22 21 0 1 V2000 -4.0243 -3.7061 -3.2535 H 0 0 0 0 0 0 0 0 0 -2.2066 -4.1917 -5.5970 H 0 0 0 0 0 0 0 0 0 -2.9362 -4.4136 -4.8733 C 0 0 0 0 0 0 0 0 0 -3.3008 -3.4813 -3.9829 C 0 0 0 0 0 0 0 0 0 -2.6902 -2.1119 -4.0130 C 0 0 0 0 0 0 0 0 0 -3.3729 -1.1715 -5.4080 S 0 0 0 0 0 0 0 0 0 -2.3717 0.5958 -5.2863 S 0 0 0 0 0 0 0 0 0 -2.6361 1.2233 -4.0302 O 0 0 0 0 0 0 0 0 0 -0.9666 0.3718 -5.4162 O 0 0 0 0 0 0 0 0 0 -2.8324 1.5814 -6.4475 O 0 0 0 0 0 0 0 0 0 -3.5602 -5.7773 -4.8542 C 0 0 0 0 0 0 0 0 0 -5.2487 -5.6825 -5.5150 S 0 0 0 0 0 0 0 0 0 -5.9048 -7.6006 -5.3380 S 0 0 0 0 0 0 0 0 0 -5.0734 -8.4755 -6.1026 O 0 0 0 0 0 0 0 0 0 -5.8785 -8.0019 -3.9670 O 0 0 0 0 0 0 0 0 0 -7.3982 -7.7328 -5.8712 O 0 0 0 0 0 0 0 0 0 -2.9172 -1.5926 -3.0937 H 0 0 0 0 0 0 0 0 0 -1.6182 -2.1849 -4.1214 H 0 0 0 0 0 0 0 0 0 -2.3214 2.3670 -6.3046 H 0 0 0 0 0 0 0 0 0 -2.9796 -6.4509 -5.4674 H 0 0 0 0 0 0 0 0 0 -3.5919 -6.1582 -3.8445 H 0 0 0 0 0 0 0 0 0 -7.6088 -8.6495 -5.7538 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 11 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 16 22 1 0 0 0 0 M END > 624161 > K $$$$ 624169 1016 111283D 624169 38 38 0 1 V2000 -14.3837 5.3270 -3.3826 C 0 0 0 0 0 0 0 0 0 -13.9680 5.6733 -2.1042 C 0 0 0 0 0 0 0 0 0 -13.8248 7.0105 -1.7640 C 0 0 0 0 0 0 0 0 0 -14.0936 7.9931 -2.7064 C 0 0 0 0 0 0 0 0 0 -14.5035 7.6514 -3.9909 C 0 0 0 0 0 0 0 0 0 -14.6615 6.3071 -4.3297 C 0 0 0 0 0 0 0 0 0 -15.1225 5.8620 -5.6934 C 0 0 0 0 0 0 0 0 0 -13.6587 5.5740 -6.7279 S 0 0 0 0 0 0 0 0 0 -13.2569 3.5934 -6.4612 S 0 0 0 0 0 0 0 0 0 -11.6436 3.3542 -7.2594 C 0 0 0 0 0 0 0 0 0 -10.5615 4.0051 -6.4029 C 0 0 0 0 0 0 0 0 0 -9.2533 3.8233 -7.0117 N 0 0 0 0 0 0 0 0 0 -14.7610 8.7740 -4.9606 C 0 0 0 0 0 0 0 0 0 -16.3952 9.4912 -4.6198 S 0 0 0 0 0 0 0 0 0 -17.7139 7.9542 -4.8646 S 0 0 0 0 0 0 0 0 0 -19.3363 8.6931 -4.5177 C 0 0 0 0 0 0 0 0 0 -19.6102 9.8294 -5.4989 C 0 0 0 0 0 0 0 0 0 -20.9067 10.4315 -5.2319 N 0 0 0 0 0 0 0 0 0 -14.4885 4.3116 -3.6306 H 0 0 0 0 0 0 0 0 0 -13.7622 4.9254 -1.3959 H 0 0 0 0 0 0 0 0 0 -13.5141 7.2785 -0.7968 H 0 0 0 0 0 0 0 0 0 -13.9838 9.0038 -2.4410 H 0 0 0 0 0 0 0 0 0 -15.6898 4.9455 -5.6173 H 0 0 0 0 0 0 0 0 0 -15.7515 6.6009 -6.1644 H 0 0 0 0 0 0 0 0 0 -11.4421 2.2967 -7.3488 H 0 0 0 0 0 0 0 0 0 -11.6549 3.7996 -8.2437 H 0 0 0 0 0 0 0 0 0 -10.7742 5.0596 -6.2938 H 0 0 0 0 0 0 0 0 0 -10.5696 3.5443 -5.4247 H 0 0 0 0 0 0 0 0 0 -9.2014 4.2521 -7.9147 H 0 0 0 0 0 0 0 0 0 -8.5294 4.1820 -6.4208 H 0 0 0 0 0 0 0 0 0 -14.0162 9.5452 -4.8268 H 0 0 0 0 0 0 0 0 0 -14.7122 8.4443 -5.9868 H 0 0 0 0 0 0 0 0 0 -20.1023 7.9380 -4.6197 H 0 0 0 0 0 0 0 0 0 -19.3460 9.0724 -3.5065 H 0 0 0 0 0 0 0 0 0 -18.8368 10.5789 -5.4075 H 0 0 0 0 0 0 0 0 0 -19.5959 9.4340 -6.5049 H 0 0 0 0 0 0 0 0 0 -20.9500 10.8236 -4.3119 H 0 0 0 0 0 0 0 0 0 -21.1235 11.1334 -5.9116 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 13 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 M END > 624169 > K $$$$ 624206 1016 111283D 624206 55 55 0 1 V2000 -12.0735 15.3965 5.5769 C 0 0 0 0 0 0 0 0 0 -13.3150 16.5978 5.5329 Cl 0 0 0 0 0 0 0 0 0 -12.2334 14.4803 4.4798 C 0 0 0 0 0 0 0 0 0 -11.2135 13.5006 4.4644 C 0 0 0 0 0 0 0 0 0 -9.9734 13.7666 5.0080 C 0 0 0 0 0 0 0 0 0 -9.7723 14.9135 5.7260 C 0 0 0 0 0 0 0 0 0 -10.7583 15.8790 5.8554 C 0 0 0 0 0 0 0 0 0 -8.7810 12.8477 4.7760 C 0 0 0 0 0 0 0 0 0 -7.8720 13.4513 3.3052 S 0 0 0 0 0 0 0 0 0 -6.2724 12.1776 3.1557 S 0 0 0 0 0 0 0 0 0 -5.4760 12.6717 1.5891 C 0 0 0 0 0 0 0 0 0 -6.4279 12.5586 0.3881 C 0 0 0 0 0 0 0 0 0 -5.7835 12.9644 -0.8547 N 0 0 0 0 0 0 0 0 0 -5.3621 14.3568 -1.0105 C 0 0 0 0 0 0 0 0 0 -6.5383 15.3283 -0.8948 C 0 0 0 0 0 0 0 0 0 -7.6761 14.9960 -1.8621 C 0 0 0 0 0 0 0 0 0 -7.3485 14.9573 -3.3556 C 0 0 0 0 0 0 0 0 0 -6.6865 16.2102 -3.9356 C 0 0 0 0 0 0 0 0 0 -7.5819 17.4467 -3.7866 C 0 0 0 0 0 0 0 0 0 -7.0289 18.6817 -4.5096 C 0 0 0 0 0 0 0 0 0 -5.6957 19.1629 -3.9218 C 0 0 0 0 0 0 0 0 0 -5.1218 20.3710 -4.6639 C 0 0 0 0 0 0 0 0 0 -5.9622 21.6317 -4.4915 C 0 0 0 0 0 0 0 0 0 -13.2036 14.1460 4.1935 H 0 0 0 0 0 0 0 0 0 -11.2258 12.6514 3.8739 H 0 0 0 0 0 0 0 0 0 -8.8517 15.1116 6.1525 H 0 0 0 0 0 0 0 0 0 -10.6207 16.6827 6.5321 H 0 0 0 0 0 0 0 0 0 -8.0997 12.8695 5.6445 H 0 0 0 0 0 0 0 0 0 -9.0926 11.8106 4.6004 H 0 0 0 0 0 0 0 0 0 -5.1013 13.6948 1.6099 H 0 0 0 0 0 0 0 0 0 -4.6829 11.9593 1.4399 H 0 0 0 0 0 0 0 0 0 -6.7023 11.5253 0.2765 H 0 0 0 0 0 0 0 0 0 -7.3307 13.1049 0.5659 H 0 0 0 0 0 0 0 0 0 -5.0323 12.3457 -1.0610 H 0 0 0 0 0 0 0 0 0 -4.5848 14.6299 -0.3075 H 0 0 0 0 0 0 0 0 0 -4.9598 14.4717 -2.0044 H 0 0 0 0 0 0 0 0 0 -6.9231 15.2635 0.1141 H 0 0 0 0 0 0 0 0 0 -6.1858 16.3362 -1.0573 H 0 0 0 0 0 0 0 0 0 -8.0491 14.0201 -1.5826 H 0 0 0 0 0 0 0 0 0 -8.4592 15.7218 -1.7032 H 0 0 0 0 0 0 0 0 0 -6.6982 14.1205 -3.5447 H 0 0 0 0 0 0 0 0 0 -8.2687 14.7861 -3.8889 H 0 0 0 0 0 0 0 0 0 -5.7472 16.3832 -3.4358 H 0 0 0 0 0 0 0 0 0 -6.5014 16.0344 -4.9866 H 0 0 0 0 0 0 0 0 0 -8.5553 17.2279 -4.2070 H 0 0 0 0 0 0 0 0 0 -7.7012 17.6904 -2.7404 H 0 0 0 0 0 0 0 0 0 -6.9029 18.4518 -5.5576 H 0 0 0 0 0 0 0 0 0 -7.7636 19.4713 -4.4102 H 0 0 0 0 0 0 0 0 0 -5.8297 19.4174 -2.8808 H 0 0 0 0 0 0 0 0 0 -4.9796 18.3581 -3.9931 H 0 0 0 0 0 0 0 0 0 -4.1361 20.5698 -4.2689 H 0 0 0 0 0 0 0 0 0 -5.0266 20.1444 -5.7164 H 0 0 0 0 0 0 0 0 0 -6.9437 21.4949 -4.9196 H 0 0 0 0 0 0 0 0 0 -6.0619 21.8699 -3.4419 H 0 0 0 0 0 0 0 0 0 -5.4814 22.4623 -4.9919 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 M END > 624206 > K $$$$ 624358 1016 111283D 624358 28 30 1 1 V2000 -0.1991 1.1243 -0.2582 C 0 0 0 0 0 0 0 0 0 -0.0788 -0.3473 0.1676 C 0 0 0 0 0 0 0 0 0 1.2206 -0.6441 0.9340 C 0 0 1 0 0 0 0 0 0 2.4161 -0.1843 0.0890 C 0 0 0 0 0 0 0 0 0 2.1707 1.1924 0.7229 C 0 0 1 0 0 0 0 0 0 1.1053 1.9244 -0.1104 C 0 0 0 0 0 0 0 0 0 3.6958 -0.7950 0.5856 C 0 0 0 0 0 0 0 0 0 1.6574 0.4232 1.9549 C 0 0 0 0 0 0 0 0 0 2.8041 -0.1306 2.8296 C 0 0 0 0 0 0 0 0 0 0.5997 1.0602 2.8653 C 0 0 0 0 0 0 0 0 0 4.6311 -2.3585 2.8030 Br 0 0 0 0 0 0 0 0 0 5.4978 0.6529 2.1851 Br 0 0 0 0 0 0 0 0 0 4.0234 -0.6455 2.0449 C 0 0 0 0 0 0 0 0 0 4.4316 -1.3821 -0.1724 O 0 0 0 0 0 0 0 0 0 -0.5450 1.1795 -1.2806 H 0 0 0 0 0 0 0 0 0 -0.9556 1.5916 0.3549 H 0 0 0 0 0 0 0 0 0 -0.9262 -0.6086 0.7853 H 0 0 0 0 0 0 0 0 0 -0.1004 -0.9718 -0.7145 H 0 0 0 0 0 0 0 0 0 1.2739 -1.6687 1.2765 H 0 0 0 0 0 0 0 0 0 2.2985 -0.2560 -0.9833 H 0 0 0 0 0 0 0 0 0 3.0604 1.7864 0.8782 H 0 0 0 0 0 0 0 0 0 1.5175 2.1023 -1.0936 H 0 0 0 0 0 0 0 0 0 0.8875 2.8812 0.3422 H 0 0 0 0 0 0 0 0 0 3.1393 0.6331 3.5165 H 0 0 0 0 0 0 0 0 0 2.3960 -0.9424 3.4146 H 0 0 0 0 0 0 0 0 0 0.1718 0.3010 3.5039 H 0 0 0 0 0 0 0 0 0 1.0653 1.8124 3.4859 H 0 0 0 0 0 0 0 0 0 -0.1957 1.5312 2.3140 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 1 0 0 0 3 4 1 6 0 0 0 3 19 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 1 0 0 0 5 6 1 6 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 14 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 12 13 1 0 0 0 0 M END > 624358 > K $$$$ 624947 1016 111283D 624947 43 45 0 1 V2000 0.4320 3.1747 1.3228 C 0 0 0 0 0 0 0 0 0 0.7710 2.2613 2.1116 N 0 0 0 0 0 0 0 0 0 -0.0174 1.1897 2.3695 C 0 0 0 0 0 0 0 0 0 -1.2047 1.0554 1.7313 N 0 0 0 0 0 0 0 0 0 -1.6028 1.9469 0.7790 C 0 0 0 0 0 0 0 0 0 -0.8121 2.9925 0.4706 C 0 0 0 0 0 0 0 0 0 1.2624 4.2572 1.3417 N 0 0 0 0 0 0 0 0 0 0.3278 0.3525 3.1660 O 0 0 0 0 0 0 0 0 0 -1.2021 3.8902 -0.6756 C 0 0 0 0 0 0 0 0 0 -2.3826 4.0453 -0.8719 O 0 0 0 0 0 0 0 0 0 -0.3098 4.5189 -1.4924 N 0 0 0 0 0 0 0 0 0 -0.0240 6.9863 -4.1676 C 0 0 0 0 0 0 0 0 0 0.2819 6.1608 -3.0931 C 0 0 0 0 0 0 0 0 0 -0.6607 5.2776 -2.5769 C 0 0 0 0 0 0 0 0 0 -1.9104 5.2110 -3.1898 C 0 0 0 0 0 0 0 0 0 -2.2242 6.0344 -4.2624 C 0 0 0 0 0 0 0 0 0 -1.2825 6.9285 -4.7496 C 0 0 0 0 0 0 0 0 0 -1.6847 7.9686 -6.0847 Cl 0 0 0 0 0 0 0 0 0 -2.9304 1.7129 0.1049 C 0 0 0 0 0 0 0 0 0 1.0278 5.3454 0.7496 N 0 0 0 0 0 0 0 0 0 1.8856 6.2558 0.6412 C 0 0 0 0 0 0 0 0 0 0.0522 8.9779 -1.2574 C 0 0 0 0 0 0 0 0 0 1.0614 9.9153 -1.4326 C 0 0 0 0 0 0 0 0 0 2.3308 9.6694 -0.9267 C 0 0 0 0 0 0 0 0 0 2.5920 8.4830 -0.2531 C 0 0 0 0 0 0 0 0 0 1.5853 7.5391 -0.0804 C 0 0 0 0 0 0 0 0 0 0.3133 7.7948 -0.5786 C 0 0 0 0 0 0 0 0 0 0.7366 11.3968 -2.2850 Cl 0 0 0 0 0 0 0 0 0 -1.7648 0.3013 1.9705 H 0 0 0 0 0 0 0 0 0 2.0821 4.1633 1.8595 H 0 0 0 0 0 0 0 0 0 0.6321 4.4210 -1.2883 H 0 0 0 0 0 0 0 0 0 0.6950 7.6549 -4.5398 H 0 0 0 0 0 0 0 0 0 1.2388 6.2092 -2.6638 H 0 0 0 0 0 0 0 0 0 -2.6404 4.5371 -2.8574 H 0 0 0 0 0 0 0 0 0 -3.1752 5.9800 -4.7048 H 0 0 0 0 0 0 0 0 0 -3.3515 0.7642 0.4009 H 0 0 0 0 0 0 0 0 0 -3.6156 2.4971 0.3952 H 0 0 0 0 0 0 0 0 0 -2.8147 1.7212 -0.9691 H 0 0 0 0 0 0 0 0 0 2.8408 6.1256 1.0600 H 0 0 0 0 0 0 0 0 0 -0.9085 9.1639 -1.6386 H 0 0 0 0 0 0 0 0 0 3.0924 10.3817 -1.0544 H 0 0 0 0 0 0 0 0 0 3.5561 8.3037 0.1246 H 0 0 0 0 0 0 0 0 0 -0.4556 7.0914 -0.4441 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 19 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 20 1 0 0 0 0 7 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 12 17 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 21 26 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 22 40 1 0 0 0 0 23 28 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 M END > 624947 > K $$$$ 624953 1016 111283D 624953 91 94 1 1 V2000 7.3237 5.8929 -8.6130 C 0 0 1 0 0 0 0 0 0 8.5977 6.2914 -8.1103 O 0 0 0 0 0 0 0 0 0 8.3832 6.9474 -6.8622 C 0 0 1 0 0 0 0 0 0 7.6495 8.2708 -7.0915 C 0 0 1 0 0 0 0 0 0 6.2863 7.9820 -7.7299 C 0 0 1 0 0 0 0 0 0 6.5034 7.1299 -8.9856 C 0 0 1 0 0 0 0 0 0 7.5963 6.1089 -6.0139 O 0 0 0 0 0 0 0 0 0 8.3332 4.8983 -5.8312 C 0 0 0 0 0 0 0 0 0 7.5230 3.7349 -6.3424 C 0 0 0 0 0 0 0 0 0 7.1867 2.7638 -5.5301 C 0 0 0 0 0 0 0 0 0 7.4606 8.9356 -5.8408 O 0 0 0 0 0 0 0 0 0 8.1293 10.1949 -5.9371 C 0 0 0 0 0 0 0 0 0 7.1343 11.3087 -5.7367 C 0 0 0 0 0 0 0 0 0 6.9311 12.2420 -6.7357 C 0 0 0 0 0 0 0 0 0 6.0183 13.2639 -6.5517 C 0 0 0 0 0 0 0 0 0 5.3086 13.3521 -5.3689 C 0 0 0 0 0 0 0 0 0 5.5113 12.4181 -4.3700 C 0 0 0 0 0 0 0 0 0 6.4207 11.3939 -4.5556 C 0 0 0 0 0 0 0 0 0 5.4641 7.2696 -6.8033 O 0 0 0 0 0 0 0 0 0 4.3061 8.0749 -6.5747 C 0 0 0 0 0 0 0 0 0 3.5798 8.2918 -7.8772 C 0 0 0 0 0 0 0 0 0 3.3952 9.5734 -8.3604 C 0 0 0 0 0 0 0 0 0 2.7289 9.7724 -9.5553 C 0 0 0 0 0 0 0 0 0 2.2476 8.6896 -10.2668 C 0 0 0 0 0 0 0 0 0 2.4331 7.4075 -9.7840 C 0 0 0 0 0 0 0 0 0 3.1031 7.2083 -8.5916 C 0 0 0 0 0 0 0 0 0 7.2088 7.8939 -9.9657 O 0 0 0 0 0 0 0 0 0 6.3657 7.9678 -11.1172 C 0 0 0 0 0 0 0 0 0 7.0552 8.7649 -12.1943 C 0 0 0 0 0 0 0 0 0 8.3140 9.2887 -11.9678 C 0 0 0 0 0 0 0 0 0 8.9464 10.0201 -12.9560 C 0 0 0 0 0 0 0 0 0 8.3202 10.2270 -14.1705 C 0 0 0 0 0 0 0 0 0 7.0614 9.7022 -14.3976 C 0 0 0 0 0 0 0 0 0 6.4309 8.9675 -13.4113 C 0 0 0 0 0 0 0 0 0 7.5172 5.0183 -9.8534 C 0 0 0 0 0 0 0 0 0 6.2415 4.6184 -10.3580 O 0 0 0 0 0 0 0 0 0 6.5229 3.6944 -11.6722 Si 0 0 0 0 0 0 0 0 0 5.7249 4.4758 -13.1633 C 0 0 0 0 0 0 0 0 0 8.3596 3.5556 -11.9519 C 0 0 0 0 0 0 0 0 0 5.8058 1.9962 -11.4024 C 0 0 0 0 0 0 0 0 0 4.2974 2.1102 -11.1726 C 0 0 0 0 0 0 0 0 0 6.0697 1.1294 -12.6352 C 0 0 0 0 0 0 0 0 0 6.4611 1.3545 -10.1778 C 0 0 0 0 0 0 0 0 0 6.7944 5.3239 -7.8487 H 0 0 0 0 0 0 0 0 0 9.3439 7.1435 -6.3860 H 0 0 0 0 0 0 0 0 0 8.2373 8.9030 -7.7570 H 0 0 0 0 0 0 0 0 0 5.8044 8.9205 -8.0036 H 0 0 0 0 0 0 0 0 0 5.5387 6.8203 -9.3876 H 0 0 0 0 0 0 0 0 0 9.2717 4.9576 -6.3822 H 0 0 0 0 0 0 0 0 0 8.5428 4.7570 -4.7709 H 0 0 0 0 0 0 0 0 0 7.2198 3.7019 -7.3784 H 0 0 0 0 0 0 0 0 0 7.4900 2.7969 -4.4940 H 0 0 0 0 0 0 0 0 0 6.6062 1.9300 -5.8964 H 0 0 0 0 0 0 0 0 0 8.9019 10.2555 -5.1706 H 0 0 0 0 0 0 0 0 0 8.5866 10.2890 -6.9222 H 0 0 0 0 0 0 0 0 0 7.4856 12.1730 -7.6599 H 0 0 0 0 0 0 0 0 0 5.8599 13.9936 -7.3321 H 0 0 0 0 0 0 0 0 0 4.5961 14.1508 -5.2250 H 0 0 0 0 0 0 0 0 0 4.9570 12.4871 -3.4455 H 0 0 0 0 0 0 0 0 0 6.5762 10.6621 -3.7766 H 0 0 0 0 0 0 0 0 0 3.6454 7.5696 -5.8701 H 0 0 0 0 0 0 0 0 0 4.6087 9.0376 -6.1627 H 0 0 0 0 0 0 0 0 0 3.7712 10.4196 -7.8044 H 0 0 0 0 0 0 0 0 0 2.5839 10.7739 -9.9325 H 0 0 0 0 0 0 0 0 0 1.7265 8.8450 -11.1999 H 0 0 0 0 0 0 0 0 0 2.0569 6.5614 -10.3398 H 0 0 0 0 0 0 0 0 0 3.2512 6.2065 -8.2162 H 0 0 0 0 0 0 0 0 0 6.1623 6.9616 -11.4837 H 0 0 0 0 0 0 0 0 0 5.4273 8.4537 -10.8499 H 0 0 0 0 0 0 0 0 0 8.8033 9.1271 -11.0187 H 0 0 0 0 0 0 0 0 0 9.9298 10.4301 -12.7786 H 0 0 0 0 0 0 0 0 0 8.8140 10.7989 -14.9423 H 0 0 0 0 0 0 0 0 0 6.5720 9.8642 -15.3466 H 0 0 0 0 0 0 0 0 0 5.4492 8.5543 -13.5899 H 0 0 0 0 0 0 0 0 0 8.0490 5.5848 -10.6179 H 0 0 0 0 0 0 0 0 0 8.0964 4.1340 -9.5877 H 0 0 0 0 0 0 0 0 0 4.6504 4.5570 -12.9995 H 0 0 0 0 0 0 0 0 0 6.1445 5.4693 -13.3211 H 0 0 0 0 0 0 0 0 0 5.9130 3.8583 -14.0415 H 0 0 0 0 0 0 0 0 0 8.7792 4.5492 -12.1098 H 0 0 0 0 0 0 0 0 0 8.8264 3.0984 -11.0795 H 0 0 0 0 0 0 0 0 0 8.5477 2.9380 -12.8302 H 0 0 0 0 0 0 0 0 0 3.8305 2.5674 -12.0450 H 0 0 0 0 0 0 0 0 0 3.8778 1.1167 -11.0148 H 0 0 0 0 0 0 0 0 0 4.1093 2.7278 -10.2943 H 0 0 0 0 0 0 0 0 0 7.1443 1.0482 -12.7988 H 0 0 0 0 0 0 0 0 0 5.6502 0.1358 -12.4774 H 0 0 0 0 0 0 0 0 0 5.6029 1.5866 -13.5076 H 0 0 0 0 0 0 0 0 0 6.0415 0.3610 -10.0200 H 0 0 0 0 0 0 0 0 0 7.5357 1.2733 -10.3415 H 0 0 0 0 0 0 0 0 0 6.2731 1.9720 -9.2995 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 35 1 6 0 0 0 1 44 1 1 0 0 0 2 3 1 0 0 0 0 3 7 1 1 0 0 0 3 4 1 0 0 0 0 3 45 1 6 0 0 0 4 11 1 1 0 0 0 4 5 1 0 0 0 0 4 46 1 6 0 0 0 5 19 1 1 0 0 0 5 6 1 6 0 0 0 5 47 1 0 0 0 0 6 27 1 6 0 0 0 6 48 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 10 2 0 0 0 0 9 51 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 56 1 0 0 0 0 15 16 2 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 58 1 0 0 0 0 17 18 2 0 0 0 0 17 59 1 0 0 0 0 18 60 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 63 1 0 0 0 0 23 24 2 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 65 1 0 0 0 0 25 26 2 0 0 0 0 25 66 1 0 0 0 0 26 67 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 70 1 0 0 0 0 31 32 2 0 0 0 0 31 71 1 0 0 0 0 32 33 1 0 0 0 0 32 72 1 0 0 0 0 33 34 2 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 37 1 0 0 0 0 37 40 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 M END > 624953 > K $$$$ 625350 1016 111283D 625350 61 65 1 1 V2000 9.4713 -2.9072 8.4860 C 0 0 0 0 0 0 0 0 0 9.4608 -1.9859 9.5163 C 0 0 0 0 0 0 0 0 0 9.4397 -0.6327 9.2334 C 0 0 0 0 0 0 0 0 0 9.4298 -0.2012 7.9205 C 0 0 0 0 0 0 0 0 0 9.4412 -1.1227 6.8898 C 0 0 0 0 0 0 0 0 0 9.4607 -2.4755 7.1726 C 0 0 0 0 0 0 0 0 0 9.4292 -0.6523 5.4582 C 0 0 1 0 0 0 0 0 0 8.0371 -0.1239 5.1066 C 0 0 2 0 0 0 0 0 0 7.0843 -1.1835 5.2139 O 0 0 0 0 0 0 0 0 0 10.4151 0.4178 5.2875 N 0 0 0 0 0 0 0 0 0 11.6787 0.2458 5.7237 C 0 0 0 0 0 0 0 0 0 12.4580 1.1785 5.7121 O 0 0 0 0 0 0 0 0 0 12.1169 -1.0775 6.2164 C 0 0 0 0 0 0 0 0 0 12.6030 -1.2151 7.5173 C 0 0 0 0 0 0 0 0 0 13.0099 -2.4530 7.9711 C 0 0 0 0 0 0 0 0 0 12.9372 -3.5561 7.1395 C 0 0 0 0 0 0 0 0 0 12.4562 -3.4265 5.8485 C 0 0 0 0 0 0 0 0 0 12.0408 -2.1958 5.3843 C 0 0 0 0 0 0 0 0 0 8.0424 0.4059 3.6958 C 0 0 0 0 0 0 0 0 0 7.7216 1.5505 3.4790 O 0 0 0 0 0 0 0 0 0 8.4036 -0.3938 2.6800 O 0 0 0 0 0 0 0 0 0 8.8745 0.1835 1.4337 C 0 0 0 0 0 0 0 0 0 10.1465 0.9517 1.6850 C 0 0 0 0 0 0 0 0 0 11.2554 0.2980 2.1941 C 0 0 0 0 0 0 0 0 0 12.4300 1.0056 2.4278 C 0 0 0 0 0 0 0 0 0 12.4823 2.3825 2.1446 C 0 0 0 0 0 0 0 0 0 11.3594 3.0240 1.6317 C 0 0 0 0 0 0 0 0 0 10.2000 2.3039 1.4002 C 0 0 0 0 0 0 0 0 0 13.6213 0.3206 2.9735 C 0 0 0 0 0 0 0 0 0 13.6492 -0.8917 3.0492 O 0 0 0 0 0 0 0 0 0 14.7788 1.1218 3.4260 C 0 0 0 0 0 0 0 0 0 15.8177 0.5231 4.1313 C 0 0 0 0 0 0 0 0 0 16.8947 1.2848 4.5509 C 0 0 0 0 0 0 0 0 0 16.9454 2.6387 4.2740 C 0 0 0 0 0 0 0 0 0 15.9205 3.2497 3.5725 C 0 0 0 0 0 0 0 0 0 14.8307 2.4989 3.1437 C 0 0 0 0 0 0 0 0 0 13.7277 3.1391 2.3955 C 0 0 0 0 0 0 0 0 0 13.8435 4.2787 1.9902 O 0 0 0 0 0 0 0 0 0 9.4922 -3.9641 8.7069 H 0 0 0 0 0 0 0 0 0 9.4686 -2.3230 10.5423 H 0 0 0 0 0 0 0 0 0 9.4309 0.0871 10.0385 H 0 0 0 0 0 0 0 0 0 9.4126 0.8558 7.6995 H 0 0 0 0 0 0 0 0 0 9.4689 -3.1953 6.3675 H 0 0 0 0 0 0 0 0 0 9.6788 -1.4846 4.8002 H 0 0 0 0 0 0 0 0 0 7.7682 0.6777 5.7946 H 0 0 0 0 0 0 0 0 0 7.3584 -1.8700 4.5905 H 0 0 0 0 0 0 0 0 0 10.1586 1.2502 4.8606 H 0 0 0 0 0 0 0 0 0 12.6608 -0.3545 8.1673 H 0 0 0 0 0 0 0 0 0 13.3863 -2.5609 8.9776 H 0 0 0 0 0 0 0 0 0 13.2576 -4.5227 7.4993 H 0 0 0 0 0 0 0 0 0 12.4021 -4.2917 5.2043 H 0 0 0 0 0 0 0 0 0 11.6614 -2.0967 4.3780 H 0 0 0 0 0 0 0 0 0 9.0669 -0.6124 0.7143 H 0 0 0 0 0 0 0 0 0 8.1157 0.8574 1.0358 H 0 0 0 0 0 0 0 0 0 11.2085 -0.7592 2.4097 H 0 0 0 0 0 0 0 0 0 11.3932 4.0806 1.4111 H 0 0 0 0 0 0 0 0 0 9.3304 2.8022 0.9981 H 0 0 0 0 0 0 0 0 0 15.7842 -0.5339 4.3508 H 0 0 0 0 0 0 0 0 0 17.7005 0.8186 5.0985 H 0 0 0 0 0 0 0 0 0 17.7900 3.2232 4.6076 H 0 0 0 0 0 0 0 0 0 15.9670 4.3073 3.3582 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 4 5 2 0 0 0 0 4 42 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 43 1 0 0 0 0 7 10 1 1 0 0 0 7 8 1 6 0 0 0 7 44 1 0 0 0 0 8 9 1 6 0 0 0 8 19 1 0 0 0 0 8 45 1 1 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 29 1 0 0 0 0 25 26 2 0 0 0 0 26 37 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 36 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 36 2 0 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 M END > 625350 > K $$$$ 625355 1016 111283D 625355 27 28 1 1 V2000 2.6219 -0.2492 1.9105 O 0 0 0 0 0 0 0 0 0 1.8943 -1.4509 1.7180 C 0 0 1 0 0 0 0 0 0 2.1483 -1.9090 0.2824 C 0 0 1 0 0 0 0 0 0 2.2365 -0.5424 -0.3810 C 0 0 1 0 0 0 0 0 0 3.1357 0.1372 0.6493 C 0 0 1 0 0 0 0 0 0 2.2622 -2.5426 2.7165 C 0 0 0 0 0 0 0 0 0 1.3732 -3.6251 2.5357 O 0 0 0 0 0 0 0 0 0 3.3756 -2.6098 0.1969 O 0 0 0 0 0 0 0 0 0 2.7462 -0.5885 -1.6662 F 0 0 0 0 0 0 0 0 0 3.1280 1.5677 0.5149 N 0 0 0 0 0 0 0 0 0 4.0686 2.1580 -0.2784 C 0 0 0 0 0 0 0 0 0 4.0822 3.5090 -0.4476 N 0 0 0 0 0 0 0 0 0 3.2475 4.2555 0.1152 C 0 0 0 0 0 0 0 0 0 2.1988 3.6587 1.0088 C 0 0 0 0 0 0 0 0 0 2.1972 2.3280 1.1644 C 0 0 0 0 0 0 0 0 0 4.8981 1.4799 -0.8345 O 0 0 0 0 0 0 0 0 0 0.8426 -1.2344 1.8435 H 0 0 0 0 0 0 0 0 0 1.3341 -2.5081 -0.1012 H 0 0 0 0 0 0 0 0 0 1.2694 -0.0611 -0.3866 H 0 0 0 0 0 0 0 0 0 4.1421 -0.2540 0.5500 H 0 0 0 0 0 0 0 0 0 3.2878 -2.8478 2.5574 H 0 0 0 0 0 0 0 0 0 2.1611 -2.1469 3.7170 H 0 0 0 0 0 0 0 0 0 1.6460 -4.3421 3.1003 H 0 0 0 0 0 0 0 0 0 3.5583 -2.8143 -0.7168 H 0 0 0 0 0 0 0 0 0 3.2838 5.2940 -0.0395 H 0 0 0 0 0 0 0 0 0 1.4929 4.2666 1.4935 H 0 0 0 0 0 0 0 0 0 1.4806 1.8760 1.7869 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 1 0 0 0 2 6 1 0 0 0 0 2 17 1 6 0 0 0 3 8 1 1 0 0 0 3 4 1 6 0 0 0 3 18 1 0 0 0 0 4 9 1 1 0 0 0 4 5 1 6 0 0 0 4 19 1 0 0 0 0 5 10 1 6 0 0 0 5 20 1 1 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 M END > 625355 > K $$$$ 625483 1016 111283D 625483 30 33 1 1 V2000 0.1313 1.7389 0.4298 C 0 0 0 0 0 0 0 0 0 0.0372 0.3697 0.1885 C 0 0 0 0 0 0 0 0 0 1.1808 -0.4187 0.1055 C 0 0 0 0 0 0 0 0 0 2.4084 0.2038 0.2728 C 0 0 0 0 0 0 0 0 0 2.5081 1.5613 0.5130 C 0 0 0 0 0 0 0 0 0 1.3707 2.3503 0.5944 C 0 0 0 0 0 0 0 0 0 3.8048 1.9128 0.6370 N 0 0 0 0 0 0 0 0 0 4.4845 0.7576 0.4736 C 0 0 0 0 0 0 0 0 0 3.6595 -0.2733 0.2512 N 0 0 0 0 0 0 0 0 0 4.1795 -1.5896 0.0442 C 0 0 1 0 0 0 0 0 0 5.9659 -1.3009 0.2603 S 0 0 0 0 0 0 0 0 0 5.9542 0.5027 0.5095 C 0 0 0 0 0 0 0 0 0 3.1012 -3.8008 0.5469 C 0 0 0 0 0 0 0 0 0 2.6095 -4.7518 1.4314 C 0 0 0 0 0 0 0 0 0 3.0267 -4.0606 -0.7574 F 0 0 0 0 0 0 0 0 0 2.6632 -4.5251 2.7993 C 0 0 0 0 0 0 0 0 0 3.2147 -3.3447 3.2771 C 0 0 0 0 0 0 0 0 0 3.7103 -2.3942 2.3941 C 0 0 0 0 0 0 0 0 0 3.6540 -2.6131 1.0193 C 0 0 0 0 0 0 0 0 0 4.3920 -0.9446 3.0787 Cl 0 0 0 0 0 0 0 0 0 -0.7438 2.3175 0.4883 H 0 0 0 0 0 0 0 0 0 -0.9081 -0.0725 0.0678 H 0 0 0 0 0 0 0 0 0 1.1191 -1.4505 -0.0775 H 0 0 0 0 0 0 0 0 0 1.4478 3.3816 0.7757 H 0 0 0 0 0 0 0 0 0 3.9956 -1.8780 -0.9812 H 0 0 0 0 0 0 0 0 0 6.4536 1.0166 -0.2977 H 0 0 0 0 0 0 0 0 0 6.3692 0.7712 1.4690 H 0 0 0 0 0 0 0 0 0 2.1961 -5.6447 1.0632 H 0 0 0 0 0 0 0 0 0 2.2887 -5.2425 3.4695 H 0 0 0 0 0 0 0 0 0 3.2582 -3.1679 4.3117 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 1 0 0 0 10 25 1 6 0 0 0 11 12 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 13 14 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 19 1 0 0 0 0 M END > 625483 > K $$$$ 625487 1016 111283D 625487 30 33 1 1 V2000 9.0593 -4.8197 -0.3707 C 0 0 0 0 0 0 0 0 0 8.4661 -4.4158 0.8238 C 0 0 0 0 0 0 0 0 0 7.3027 -3.6523 0.8186 C 0 0 0 0 0 0 0 0 0 6.7592 -3.3113 -0.4106 C 0 0 0 0 0 0 0 0 0 7.3438 -3.7075 -1.5988 C 0 0 0 0 0 0 0 0 0 8.5028 -4.4687 -1.5972 C 0 0 0 0 0 0 0 0 0 6.6241 -3.2455 -2.6424 N 0 0 0 0 0 0 0 0 0 5.6025 -2.5693 -2.0743 C 0 0 0 0 0 0 0 0 0 5.6709 -2.6031 -0.7376 N 0 0 0 0 0 0 0 0 0 4.6789 -1.9488 0.0581 C 0 0 1 0 0 0 0 0 0 2.4848 -4.8801 1.0800 C 0 0 0 0 0 0 0 0 0 3.6476 -1.1749 -1.2303 S 0 0 0 0 0 0 0 0 0 4.4737 -1.8326 -2.7138 C 0 0 0 0 0 0 0 0 0 3.2130 -3.9890 0.3024 C 0 0 0 0 0 0 0 0 0 3.2425 -4.1968 -1.0121 F 0 0 0 0 0 0 0 0 0 3.8827 -2.9202 0.8934 C 0 0 0 0 0 0 0 0 0 3.8082 -2.7584 2.2740 C 0 0 0 0 0 0 0 0 0 3.0769 -3.6476 3.0509 C 0 0 0 0 0 0 0 0 0 2.4143 -4.7121 2.4559 C 0 0 0 0 0 0 0 0 0 4.4312 -1.7537 2.8871 F 0 0 0 0 0 0 0 0 0 9.9372 -5.3964 -0.3460 H 0 0 0 0 0 0 0 0 0 8.9025 -4.6908 1.7390 H 0 0 0 0 0 0 0 0 0 6.8495 -3.3433 1.7137 H 0 0 0 0 0 0 0 0 0 8.9454 -4.7698 -2.5003 H 0 0 0 0 0 0 0 0 0 5.1415 -1.1757 0.6552 H 0 0 0 0 0 0 0 0 0 1.9857 -5.6841 0.6236 H 0 0 0 0 0 0 0 0 0 4.8373 -1.0400 -3.3496 H 0 0 0 0 0 0 0 0 0 3.8320 -2.5134 -3.2524 H 0 0 0 0 0 0 0 0 0 3.0256 -3.5135 4.0918 H 0 0 0 0 0 0 0 0 0 1.8626 -5.3867 3.0431 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 1 0 0 0 10 25 1 6 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 625487 > K $$$$ 625590 1016 111283D 625590 45 48 0 1 V2000 -6.4259 4.2450 4.5995 C 0 0 0 0 0 0 0 0 0 -6.8682 3.0429 5.1422 C 0 0 0 0 0 0 0 0 0 -6.8179 1.8670 4.4009 C 0 0 0 0 0 0 0 0 0 -6.3386 1.9322 3.0992 C 0 0 0 0 0 0 0 0 0 -5.8961 3.1245 2.5603 C 0 0 0 0 0 0 0 0 0 -5.9180 4.3009 3.3049 C 0 0 0 0 0 0 0 0 0 -6.2208 0.8102 2.1167 C 0 0 0 0 0 0 0 0 0 -6.1072 1.5888 0.8024 C 0 0 0 0 0 0 0 0 0 -5.4350 2.9184 1.1490 C 0 0 0 0 0 0 0 0 0 -5.4118 5.6098 2.7491 C 0 0 0 0 0 0 0 0 0 -5.9043 6.6822 3.1693 N 0 0 0 0 0 0 0 0 0 -4.3257 5.6297 1.6999 C 0 0 0 0 0 0 0 0 0 -2.2021 4.9009 0.8168 C 0 0 0 0 0 0 0 0 0 -3.1435 4.9012 1.8464 C 0 0 0 0 0 0 0 0 0 -2.8709 4.1690 2.9999 C 0 0 0 0 0 0 0 0 0 -1.7167 3.4035 3.1236 C 0 0 0 0 0 0 0 0 0 -0.8076 3.3946 2.0765 C 0 0 0 0 0 0 0 0 0 -1.0431 4.1421 0.9309 C 0 0 0 0 0 0 0 0 0 -1.4035 2.6472 4.2167 O 0 0 0 0 0 0 0 0 0 -2.3952 2.4557 5.2088 C 0 0 0 0 0 0 0 0 0 -4.5264 6.3980 0.5589 C 0 0 0 0 0 0 0 0 0 -3.5769 6.4145 -0.4528 C 0 0 0 0 0 0 0 0 0 -2.4197 5.6591 -0.3274 C 0 0 0 0 0 0 0 0 0 -7.2740 0.5670 4.9997 C 0 0 0 0 0 0 0 0 0 -6.4732 5.1204 5.1783 H 0 0 0 0 0 0 0 0 0 -7.2422 3.0272 6.1236 H 0 0 0 0 0 0 0 0 0 -5.3157 0.2537 2.3138 H 0 0 0 0 0 0 0 0 0 -7.0827 0.1592 2.1163 H 0 0 0 0 0 0 0 0 0 -5.5508 1.0428 0.0540 H 0 0 0 0 0 0 0 0 0 -7.1011 1.7963 0.4329 H 0 0 0 0 0 0 0 0 0 -5.7471 3.7067 0.4799 H 0 0 0 0 0 0 0 0 0 -4.3633 2.7902 1.1244 H 0 0 0 0 0 0 0 0 0 -5.5892 7.5437 2.8511 H 0 0 0 0 0 0 0 0 0 -3.5406 4.1856 3.8020 H 0 0 0 0 0 0 0 0 0 0.0637 2.8156 2.1588 H 0 0 0 0 0 0 0 0 0 -0.3389 4.1290 0.1515 H 0 0 0 0 0 0 0 0 0 -2.6180 3.3889 5.7062 H 0 0 0 0 0 0 0 0 0 -3.2987 2.0442 4.7795 H 0 0 0 0 0 0 0 0 0 -2.0196 1.7588 5.9437 H 0 0 0 0 0 0 0 0 0 -5.4033 6.9679 0.4559 H 0 0 0 0 0 0 0 0 0 -3.7347 6.9969 -1.3128 H 0 0 0 0 0 0 0 0 0 -1.7101 5.6651 -1.1021 H 0 0 0 0 0 0 0 0 0 -8.3232 0.4276 4.7833 H 0 0 0 0 0 0 0 0 0 -6.7134 -0.2571 4.5835 H 0 0 0 0 0 0 0 0 0 -7.1299 0.5768 6.0701 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 24 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END > 625590 > K $$$$ 625639 1016 111283D 625639 23 23 0 1 V2000 1.3468 -2.1123 -1.4416 C 0 0 0 0 0 0 0 0 0 0.0044 -2.7859 -1.3439 C 0 0 0 0 0 0 0 0 0 -0.2462 -3.6024 -0.2459 C 0 0 0 0 0 0 0 0 0 -1.4728 -4.2348 -0.1031 C 0 0 0 0 0 0 0 0 0 -2.4524 -4.0543 -1.0679 C 0 0 0 0 0 0 0 0 0 -2.1979 -3.2493 -2.1700 C 0 0 0 0 0 0 0 0 0 -0.9728 -2.6025 -2.3235 C 0 0 0 0 0 0 0 0 0 -0.7107 -1.8024 -3.4059 N 0 0 0 0 0 0 0 0 0 -1.6540 -1.2665 -4.2324 C 0 0 0 0 0 0 0 0 0 -2.8252 -1.3010 -3.9418 O 0 0 0 0 0 0 0 0 0 -1.2826 -0.6113 -5.5299 C 0 0 0 0 0 0 0 0 0 -0.0937 -0.5426 -5.9152 N 0 0 0 0 0 0 0 0 0 0.2023 0.0716 -7.1500 O 0 0 0 0 0 0 0 0 0 1.8938 -2.5193 -2.2795 H 0 0 0 0 0 0 0 0 0 1.2096 -1.0500 -1.5819 H 0 0 0 0 0 0 0 0 0 1.9249 -2.2675 -0.5423 H 0 0 0 0 0 0 0 0 0 0.4938 -3.7456 0.4861 H 0 0 0 0 0 0 0 0 0 -1.6589 -4.8469 0.7303 H 0 0 0 0 0 0 0 0 0 -3.3857 -4.5261 -0.9655 H 0 0 0 0 0 0 0 0 0 -2.9532 -3.1414 -2.8891 H 0 0 0 0 0 0 0 0 0 0.2119 -1.5914 -3.6120 H 0 0 0 0 0 0 0 0 0 -2.0440 -0.2039 -6.1251 H 0 0 0 0 0 0 0 0 0 1.1428 0.0181 -7.2896 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 13 23 1 0 0 0 0 M END > 625639 > K $$$$ 625641 1016 111283D 625641 32 33 0 2 V2000 0.1132 1.2912 0.2597 C 0 0 0 0 0 0 0 0 0 -0.2405 0.0215 0.7148 C 0 0 0 0 0 0 0 0 0 0.3422 -0.4715 1.8792 C 0 0 0 0 0 0 0 0 0 1.2735 0.2760 2.5842 C 0 0 0 0 0 0 0 0 0 1.6216 1.5389 2.1293 C 0 0 0 0 0 0 0 0 0 1.0392 2.0463 0.9757 C 0 0 0 0 0 0 0 0 0 1.5043 3.6447 0.4598 Cl 0 0 0 0 0 0 0 0 0 -0.4938 1.8541 -0.9984 C 0 0 0 0 0 0 0 0 0 -1.1501 -0.7518 0.0441 N 0 0 0 0 0 0 0 0 0 -1.0731 -2.1151 -0.0355 C 0 0 0 0 0 0 0 0 0 -2.2198 -2.9041 -0.1082 C 0 0 0 0 0 0 0 0 0 -3.5980 -2.3012 -0.1030 C 0 0 0 0 0 0 0 0 0 -2.1014 -4.2876 -0.1862 C 0 0 0 0 0 0 0 0 0 -0.8533 -4.8944 -0.1824 C 0 0 0 0 0 0 0 0 0 -0.7795 -6.2471 -0.2446 N 0 3 0 0 0 0 0 0 0 0.3225 -6.8392 -0.2410 O 0 0 0 0 0 0 0 0 0 -2.0174 -7.0150 -0.3162 O 0 5 0 0 0 0 0 0 0 0.2904 -4.1117 -0.1154 C 0 0 0 0 0 0 0 0 0 0.1757 -2.7308 -0.0466 C 0 0 0 0 0 0 0 0 0 0.0758 -1.4224 2.2362 H 0 0 0 0 0 0 0 0 0 1.7110 -0.1127 3.4568 H 0 0 0 0 0 0 0 0 0 2.3255 2.1113 2.6583 H 0 0 0 0 0 0 0 0 0 -1.3983 2.3875 -0.7446 H 0 0 0 0 0 0 0 0 0 0.1906 2.5329 -1.4850 H 0 0 0 0 0 0 0 0 0 -0.7289 1.0652 -1.6972 H 0 0 0 0 0 0 0 0 0 -1.8905 -0.3062 -0.3989 H 0 0 0 0 0 0 0 0 0 -3.8860 -2.0657 -1.1174 H 0 0 0 0 0 0 0 0 0 -4.3102 -3.0020 0.3087 H 0 0 0 0 0 0 0 0 0 -3.6222 -1.4022 0.4948 H 0 0 0 0 0 0 0 0 0 -2.9600 -4.8910 -0.2473 H 0 0 0 0 0 0 0 0 0 1.2399 -4.5602 -0.1169 H 0 0 0 0 0 0 0 0 0 1.0478 -2.1461 -0.0042 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M CHG 2 15 1 17 -1 M END > 625641 > K $$$$ 625748 1016 111283D 625748 26 28 0 1 V2000 0.0011 1.2936 0.4916 C 0 0 0 0 0 0 0 0 0 1.1267 2.0002 0.2493 N 0 0 0 0 0 0 0 0 0 2.2370 1.3948 -0.2379 N 0 0 0 0 0 0 0 0 0 2.2470 0.0688 -0.4956 C 0 0 0 0 0 0 0 0 0 1.1210 -0.6375 -0.2548 N 0 0 0 0 0 0 0 0 0 0.0108 -0.0321 0.2327 N 0 0 0 0 0 0 0 0 0 -1.1113 1.9007 0.9827 N 0 0 0 0 0 0 0 0 0 3.3604 -0.5387 -0.9840 N 0 0 0 0 0 0 0 0 0 -2.3749 1.3298 1.2976 C 0 0 0 0 0 0 0 0 0 -1.3097 3.2692 1.3134 C 0 0 0 0 0 0 0 0 0 4.6247 0.0317 -1.2968 C 0 0 0 0 0 0 0 0 0 3.5594 -1.9077 -1.3128 C 0 0 0 0 0 0 0 0 0 -2.7012 2.7679 1.7252 C 0 0 0 0 0 0 0 0 0 4.9756 -1.4205 -1.6509 C 0 0 0 0 0 0 0 0 0 -2.9212 0.9929 0.4276 H 0 0 0 0 0 0 0 0 0 -2.3398 0.6214 2.1134 H 0 0 0 0 0 0 0 0 0 -0.6984 3.6093 2.1375 H 0 0 0 0 0 0 0 0 0 -1.3124 3.9216 0.4512 H 0 0 0 0 0 0 0 0 0 4.5944 0.6988 -2.1471 H 0 0 0 0 0 0 0 0 0 5.1511 0.4183 -0.4355 H 0 0 0 0 0 0 0 0 0 3.5096 -2.5705 -0.4603 H 0 0 0 0 0 0 0 0 0 2.9863 -2.2293 -2.1713 H 0 0 0 0 0 0 0 0 0 -3.4936 3.2079 1.1372 H 0 0 0 0 0 0 0 0 0 -2.8685 2.8513 2.7894 H 0 0 0 0 0 0 0 0 0 5.2218 -1.5471 -2.6952 H 0 0 0 0 0 0 0 0 0 5.7210 -1.8353 -0.9878 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > 625748 > K $$$$ 625873 1016 111283D 625873 78 81 1 1 V2000 4.7302 21.0958 -4.2520 C 0 0 0 0 0 0 0 0 0 5.4448 21.0395 -5.3384 N 0 0 0 0 0 0 0 0 0 6.0815 19.8978 -5.6640 C 0 0 0 0 0 0 0 0 0 5.9993 18.8389 -4.9105 N 0 0 0 0 0 0 0 0 0 5.3089 18.8229 -3.8235 N 0 0 0 0 0 0 0 0 0 4.6385 19.9314 -3.4263 C 0 0 0 0 0 0 0 0 0 6.8929 19.8515 -6.9075 C 0 0 0 0 0 0 0 0 0 8.2555 19.5703 -6.8388 C 0 0 0 0 0 0 0 0 0 9.0072 19.5245 -7.9982 C 0 0 0 0 0 0 0 0 0 8.4074 19.7581 -9.2240 C 0 0 0 0 0 0 0 0 0 7.0530 20.0379 -9.2964 C 0 0 0 0 0 0 0 0 0 6.2918 20.0812 -8.1435 C 0 0 0 0 0 0 0 0 0 3.7243 19.9394 -2.0017 S 0 0 0 0 0 0 0 0 0 4.0109 22.3607 -3.8574 C 0 0 0 0 0 0 0 0 0 2.6576 22.3951 -4.5181 C 0 0 0 0 0 0 0 0 0 2.5090 22.9772 -5.7695 C 0 0 0 0 0 0 0 0 0 1.2613 23.0079 -6.3753 C 0 0 0 0 0 0 0 0 0 0.1675 22.4586 -5.7311 C 0 0 0 0 0 0 0 0 0 0.3175 21.8790 -4.4833 C 0 0 0 0 0 0 0 0 0 1.5626 21.8424 -3.8795 C 0 0 0 0 0 0 0 0 0 3.5856 23.5172 -6.4010 O 0 0 0 0 0 0 0 0 0 3.4293 24.1248 -7.7077 C 0 0 0 0 0 0 0 0 0 5.2416 17.6093 -3.0083 C 0 0 1 0 0 0 0 0 0 3.8856 17.1812 -2.9042 O 0 0 0 0 0 0 0 0 0 3.3580 17.0900 -4.2255 C 0 0 1 0 0 0 0 0 0 4.0448 15.9473 -4.9803 C 0 0 1 0 0 0 0 0 0 5.5468 16.2436 -5.0750 C 0 0 1 0 0 0 0 0 0 6.0844 16.5106 -3.6621 C 0 0 1 0 0 0 0 0 0 7.4658 16.9398 -3.7436 O 0 0 0 0 0 0 0 0 0 8.1424 17.2411 -2.6209 C 0 0 0 0 0 0 0 0 0 7.7501 18.1272 -1.8998 O 0 0 0 0 0 0 0 0 0 9.3887 16.4740 -2.2642 C 0 0 0 0 0 0 0 0 0 6.2318 15.1024 -5.6476 O 0 0 0 0 0 0 0 0 0 3.8386 14.7035 -4.2661 O 0 0 0 0 0 0 0 0 0 4.3647 13.5609 -4.7426 C 0 0 0 0 0 0 0 0 0 4.0481 13.1622 -5.8379 O 0 0 0 0 0 0 0 0 0 5.3475 12.7798 -3.9099 C 0 0 0 0 0 0 0 0 0 1.8527 16.8203 -4.1576 C 0 0 0 0 0 0 0 0 0 1.3175 16.7276 -5.5010 O 0 0 0 0 0 0 0 0 0 0.7157 15.5952 -5.9070 C 0 0 0 0 0 0 0 0 0 -0.4382 15.6198 -6.2632 O 0 0 0 0 0 0 0 0 0 1.4815 14.2979 -5.9179 C 0 0 0 0 0 0 0 0 0 6.9375 15.2437 -6.7837 C 0 0 0 0 0 0 0 0 0 6.6422 14.5986 -7.7612 O 0 0 0 0 0 0 0 0 0 8.0956 16.2057 -6.8359 C 0 0 0 0 0 0 0 0 0 8.7243 19.3891 -5.8854 H 0 0 0 0 0 0 0 0 0 10.0612 19.3072 -7.9478 H 0 0 0 0 0 0 0 0 0 8.9968 19.7221 -10.1253 H 0 0 0 0 0 0 0 0 0 6.5916 20.2194 -10.2528 H 0 0 0 0 0 0 0 0 0 5.2370 20.2944 -8.2021 H 0 0 0 0 0 0 0 0 0 3.8880 22.3904 -2.7752 H 0 0 0 0 0 0 0 0 0 4.5948 23.2220 -4.1804 H 0 0 0 0 0 0 0 0 0 1.1437 23.4594 -7.3467 H 0 0 0 0 0 0 0 0 0 -0.8017 22.4820 -6.2009 H 0 0 0 0 0 0 0 0 0 -0.5358 21.4525 -3.9824 H 0 0 0 0 0 0 0 0 0 1.6777 21.3863 -2.9103 H 0 0 0 0 0 0 0 0 0 2.7210 24.9510 -7.6435 H 0 0 0 0 0 0 0 0 0 4.3930 24.4999 -8.0523 H 0 0 0 0 0 0 0 0 0 3.0565 23.3821 -8.4132 H 0 0 0 0 0 0 0 0 0 5.6330 17.8184 -2.0129 H 0 0 0 0 0 0 0 0 0 3.5329 18.0284 -4.7514 H 0 0 0 0 0 0 0 0 0 3.6257 15.8706 -5.9828 H 0 0 0 0 0 0 0 0 0 5.7071 17.1214 -5.6987 H 0 0 0 0 0 0 0 0 0 6.0164 15.5984 -3.0700 H 0 0 0 0 0 0 0 0 0 10.1276 16.5920 -3.0561 H 0 0 0 0 0 0 0 0 0 9.7949 16.8568 -1.3283 H 0 0 0 0 0 0 0 0 0 9.1449 15.4182 -2.1492 H 0 0 0 0 0 0 0 0 0 6.2170 13.4009 -3.6964 H 0 0 0 0 0 0 0 0 0 4.8755 12.4819 -2.9742 H 0 0 0 0 0 0 0 0 0 5.6614 11.8917 -4.4575 H 0 0 0 0 0 0 0 0 0 1.6763 15.8848 -3.6276 H 0 0 0 0 0 0 0 0 0 1.3630 17.6363 -3.6258 H 0 0 0 0 0 0 0 0 0 2.3429 14.3895 -6.5787 H 0 0 0 0 0 0 0 0 0 1.8209 14.0680 -4.9084 H 0 0 0 0 0 0 0 0 0 0.8338 13.4974 -6.2742 H 0 0 0 0 0 0 0 0 0 7.7409 17.2130 -6.6192 H 0 0 0 0 0 0 0 0 0 8.8422 15.9167 -6.0968 H 0 0 0 0 0 0 0 0 0 8.5411 16.1835 -7.8301 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 9 10 2 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 48 1 0 0 0 0 11 12 2 0 0 0 0 11 49 1 0 0 0 0 12 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 1 0 0 0 23 28 1 6 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 25 38 1 1 0 0 0 25 61 1 0 0 0 0 26 34 1 0 0 0 0 26 27 1 6 0 0 0 26 62 1 1 0 0 0 27 33 1 6 0 0 0 27 28 1 0 0 0 0 27 63 1 1 0 0 0 28 29 1 6 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 43 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 39 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 76 1 0 0 0 0 45 77 1 0 0 0 0 45 78 1 0 0 0 0 M END > 625873 > K $$$$ 626120 1016 111283D 626120 49 51 1 1 V2000 -1.1676 -3.7415 -8.0063 C 0 0 1 0 0 0 0 0 0 -1.2570 -2.4787 -7.1496 C 0 0 1 0 0 0 0 0 0 -2.1872 -2.7309 -6.1110 O 0 0 0 0 0 0 0 0 0 -2.6961 -4.0322 -6.3254 C 0 0 1 0 0 0 0 0 0 -1.5596 -4.8006 -6.9867 C 0 0 1 0 0 0 0 0 0 -1.9172 -6.0456 -7.5564 O 0 0 0 0 0 0 0 0 0 -2.1681 -3.6604 -9.0107 O 0 0 0 0 0 0 0 0 0 -1.6674 -3.5063 -10.3242 C 0 0 0 0 0 0 0 0 0 -1.0371 -2.1541 -10.5129 C 0 0 0 0 0 0 0 0 0 -1.8076 -1.0068 -10.3619 C 0 0 0 0 0 0 0 0 0 -1.2351 0.2470 -10.5341 C 0 0 0 0 0 0 0 0 0 0.1101 0.3560 -10.8607 C 0 0 0 0 0 0 0 0 0 0.8796 -0.7887 -11.0170 C 0 0 0 0 0 0 0 0 0 0.3099 -2.0419 -10.8368 C 0 0 0 0 0 0 0 0 0 0.8329 1.9241 -11.0745 Cl 0 0 0 0 0 0 0 0 0 -3.0396 -4.6129 -5.0852 O 0 0 0 0 0 0 0 0 0 -4.0282 -3.8541 -4.4189 C 0 0 0 0 0 0 0 0 0 0.0924 -2.0844 -6.5556 C 0 0 0 0 0 0 0 0 0 1.0209 -1.9151 -7.6109 O 0 0 0 0 0 0 0 0 0 2.2407 -1.3355 -7.1908 C 0 0 0 0 0 0 0 0 0 3.0452 -0.9898 -8.4120 C 0 0 0 0 0 0 0 0 0 3.6243 -2.0001 -9.1713 C 0 0 0 0 0 0 0 0 0 4.3756 -1.6859 -10.2968 C 0 0 0 0 0 0 0 0 0 4.5475 -0.3594 -10.6698 C 0 0 0 0 0 0 0 0 0 3.9663 0.6522 -9.9171 C 0 0 0 0 0 0 0 0 0 3.2154 0.3371 -8.7919 C 0 0 0 0 0 0 0 0 0 5.4889 0.0345 -12.0791 Cl 0 0 0 0 0 0 0 0 0 -0.1730 -3.9199 -8.3932 H 0 0 0 0 0 0 0 0 0 -1.5984 -1.6631 -7.7683 H 0 0 0 0 0 0 0 0 0 -3.5426 -4.0088 -7.0020 H 0 0 0 0 0 0 0 0 0 -0.7723 -4.9336 -6.2588 H 0 0 0 0 0 0 0 0 0 -2.3147 -6.5797 -6.8747 H 0 0 0 0 0 0 0 0 0 -0.9674 -4.2974 -10.5557 H 0 0 0 0 0 0 0 0 0 -2.4965 -3.5909 -11.0116 H 0 0 0 0 0 0 0 0 0 -2.8262 -1.0868 -10.1161 H 0 0 0 0 0 0 0 0 0 -1.8185 1.1126 -10.4178 H 0 0 0 0 0 0 0 0 0 1.8935 -0.7060 -11.2719 H 0 0 0 0 0 0 0 0 0 0.9021 -2.9024 -10.9470 H 0 0 0 0 0 0 0 0 0 -3.6764 -2.8487 -4.2331 H 0 0 0 0 0 0 0 0 0 -4.9364 -3.8151 -5.0043 H 0 0 0 0 0 0 0 0 0 -4.2497 -4.3220 -3.4709 H 0 0 0 0 0 0 0 0 0 -0.0488 -1.1659 -6.0034 H 0 0 0 0 0 0 0 0 0 0.4250 -2.8551 -5.8753 H 0 0 0 0 0 0 0 0 0 2.0639 -0.4385 -6.6126 H 0 0 0 0 0 0 0 0 0 2.7977 -2.0359 -6.5838 H 0 0 0 0 0 0 0 0 0 3.4954 -3.0054 -8.8951 H 0 0 0 0 0 0 0 0 0 4.8148 -2.4504 -10.8673 H 0 0 0 0 0 0 0 0 0 4.0953 1.6554 -10.1997 H 0 0 0 0 0 0 0 0 0 2.7770 1.1085 -8.2294 H 0 0 0 0 0 0 0 0 0 1 7 1 6 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 28 1 1 0 0 0 2 3 1 0 0 0 0 2 18 1 1 0 0 0 2 29 1 6 0 0 0 3 4 1 0 0 0 0 4 16 1 1 0 0 0 4 5 1 0 0 0 0 4 30 1 6 0 0 0 5 6 1 6 0 0 0 5 31 1 1 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 16 17 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 M END > 626120 > K $$$$ 626433 1016 111283D 626433 12 12 0 2 V2000 0.9420 1.8622 0.0074 C 0 0 0 0 0 0 0 0 0 1.9558 0.9363 -0.0071 C 0 0 0 0 0 0 0 0 0 1.2884 -0.2689 -0.0101 C 0 0 0 0 0 0 0 0 0 1.9594 -1.6064 -0.0252 C 0 0 0 0 0 0 0 0 0 3.1656 -1.6710 -0.0364 O 0 0 0 0 0 0 0 0 0 1.3801 -2.4820 -0.0261 H 0 0 0 0 0 0 0 0 0 -0.0784 -0.0796 0.0026 O 0 0 0 0 0 0 0 0 0 -0.2243 1.1869 0.0124 N 0 0 0 0 0 0 0 0 0 1.1268 3.2013 0.0148 N 0 3 0 0 0 0 0 0 0 0.1522 3.9840 0.0280 O 0 0 0 0 0 0 0 0 0 2.4962 3.7069 0.0070 O 0 5 0 0 0 0 0 0 0 2.9905 1.1150 -0.0141 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 8 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 M CHG 2 9 1 11 -1 M END > 626433 > K $$$$ 626521 1016 111283D 626521 27 29 0 1 V2000 0.2593 1.3773 1.1191 C 0 0 0 0 0 0 0 0 0 0.2814 0.0011 1.1272 C 0 0 0 0 0 0 0 0 0 1.3520 -0.6969 0.5814 C 0 0 0 0 0 0 0 0 0 2.4156 -0.0221 0.0195 C 0 0 0 0 0 0 0 0 0 2.4128 1.3707 0.0010 C 0 0 0 0 0 0 0 0 0 1.3254 2.0841 0.5554 C 0 0 0 0 0 0 0 0 0 1.3407 3.4320 0.5277 N 0 0 0 0 0 0 0 0 0 2.3363 4.0970 0.0009 C 0 0 0 0 0 0 0 0 0 3.4278 3.4896 -0.5572 N 0 0 0 0 0 0 0 0 0 3.5207 2.1397 -0.5856 C 0 0 0 0 0 0 0 0 0 4.4848 1.5830 -1.0778 O 0 0 0 0 0 0 0 0 0 2.2791 5.5740 0.0083 C 0 0 0 0 0 0 0 0 0 1.0456 6.2278 0.0231 C 0 0 0 0 0 0 0 0 0 0.9993 7.6063 0.0305 C 0 0 0 0 0 0 0 0 0 2.1719 8.3411 0.0233 C 0 0 0 0 0 0 0 0 0 3.3974 7.6995 0.0086 C 0 0 0 0 0 0 0 0 0 3.4579 6.3211 0.0064 C 0 0 0 0 0 0 0 0 0 1.3508 -2.4326 0.6074 Cl 0 0 0 0 0 0 0 0 0 -0.5802 1.9088 1.5423 H 0 0 0 0 0 0 0 0 0 -0.5432 -0.5429 1.5635 H 0 0 0 0 0 0 0 0 0 3.2450 -0.5698 -0.4029 H 0 0 0 0 0 0 0 0 0 4.1393 4.0297 -0.9350 H 0 0 0 0 0 0 0 0 0 0.1298 5.6554 0.0284 H 0 0 0 0 0 0 0 0 0 0.0458 8.1133 0.0416 H 0 0 0 0 0 0 0 0 0 2.1301 9.4203 0.0287 H 0 0 0 0 0 0 0 0 0 4.3089 8.2789 0.0030 H 0 0 0 0 0 0 0 0 0 4.4154 5.8214 -0.0009 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 18 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END > 626521 > K $$$$ 626551 1016 111283D 626551 69 69 0 1 V2000 1.2181 8.6022 3.8704 C 0 0 0 0 0 0 0 0 0 2.3590 9.2859 3.6333 N 0 0 0 0 0 0 0 0 0 2.8372 10.1408 4.5625 C 0 0 0 0 0 0 0 0 0 2.0745 10.4350 5.6267 N 0 0 0 0 0 0 0 0 0 0.9434 9.7540 5.8806 C 0 0 0 0 0 0 0 0 0 0.5691 8.7685 5.0419 N 0 0 0 0 0 0 0 0 0 0.7174 7.7449 2.9345 N 0 0 0 0 0 0 0 0 0 1.2440 7.7318 1.5940 C 0 0 0 0 0 0 0 0 0 -0.3458 6.8401 3.2985 C 0 0 0 0 0 0 0 0 0 0.1467 6.0058 4.3241 O 0 0 0 0 0 0 0 0 0 1.3306 5.4363 3.9725 C 0 0 0 0 0 0 0 0 0 1.5513 5.1498 2.8173 O 0 0 0 0 0 0 0 0 0 2.3577 5.1715 5.0333 C 0 0 0 0 0 0 0 0 0 1.7999 4.1835 6.0576 C 0 0 0 0 0 0 0 0 0 3.6608 4.6680 4.4103 C 0 0 0 0 0 0 0 0 0 0.2101 10.0790 6.9783 N 0 0 0 0 0 0 0 0 0 -0.7214 9.1370 7.5353 C 0 0 0 0 0 0 0 0 0 0.3659 11.3746 7.5792 C 0 0 0 0 0 0 0 0 0 0.1246 11.3262 8.9693 O 0 0 0 0 0 0 0 0 0 0.4389 12.5377 9.5100 C 0 0 0 0 0 0 0 0 0 0.8025 13.4713 8.8220 O 0 0 0 0 0 0 0 0 0 0.3366 12.7560 10.9926 C 0 0 0 0 0 0 0 0 0 -1.1362 12.8254 11.3928 C 0 0 0 0 0 0 0 0 0 1.1049 11.6856 11.7691 C 0 0 0 0 0 0 0 0 0 4.0692 10.7151 4.4477 N 0 0 0 0 0 0 0 0 0 4.5804 11.5448 5.5114 C 0 0 0 0 0 0 0 0 0 4.8706 10.5089 3.2751 C 0 0 0 0 0 0 0 0 0 4.7246 11.6734 2.4895 O 0 0 0 0 0 0 0 0 0 5.3389 11.5605 1.2815 C 0 0 0 0 0 0 0 0 0 5.9875 10.5750 1.0108 O 0 0 0 0 0 0 0 0 0 5.2062 12.6703 0.2743 C 0 0 0 0 0 0 0 0 0 5.4732 14.0471 0.8893 C 0 0 0 0 0 0 0 0 0 6.1031 12.4531 -0.9486 C 0 0 0 0 0 0 0 0 0 2.1989 7.2278 1.5858 H 0 0 0 0 0 0 0 0 0 0.5794 7.2184 0.9137 H 0 0 0 0 0 0 0 0 0 1.3771 8.7419 1.2358 H 0 0 0 0 0 0 0 0 0 -1.1933 7.3964 3.6759 H 0 0 0 0 0 0 0 0 0 -0.6848 6.2374 2.4664 H 0 0 0 0 0 0 0 0 0 2.5537 6.1101 5.5318 H 0 0 0 0 0 0 0 0 0 2.5232 4.0236 6.8435 H 0 0 0 0 0 0 0 0 0 0.8929 4.5802 6.4914 H 0 0 0 0 0 0 0 0 0 1.5780 3.2407 5.5792 H 0 0 0 0 0 0 0 0 0 4.0182 5.3899 3.6889 H 0 0 0 0 0 0 0 0 0 4.4082 4.5355 5.1788 H 0 0 0 0 0 0 0 0 0 3.4878 3.7260 3.9093 H 0 0 0 0 0 0 0 0 0 -0.4703 8.1254 7.2442 H 0 0 0 0 0 0 0 0 0 -0.6782 9.1829 8.6131 H 0 0 0 0 0 0 0 0 0 -1.7240 9.3746 7.2104 H 0 0 0 0 0 0 0 0 0 1.3665 11.7546 7.4077 H 0 0 0 0 0 0 0 0 0 -0.3462 12.0508 7.1218 H 0 0 0 0 0 0 0 0 0 0.7840 13.7155 11.1909 H 0 0 0 0 0 0 0 0 0 -1.6090 11.8582 11.2880 H 0 0 0 0 0 0 0 0 0 -1.2298 13.1701 12.4112 H 0 0 0 0 0 0 0 0 0 -1.6311 13.5276 10.7390 H 0 0 0 0 0 0 0 0 0 2.0861 11.5597 11.3349 H 0 0 0 0 0 0 0 0 0 1.2229 11.9733 12.8030 H 0 0 0 0 0 0 0 0 0 0.5714 10.7486 11.7243 H 0 0 0 0 0 0 0 0 0 4.2496 11.1920 6.4784 H 0 0 0 0 0 0 0 0 0 5.6605 11.5467 5.5162 H 0 0 0 0 0 0 0 0 0 4.2313 12.5577 5.3776 H 0 0 0 0 0 0 0 0 0 5.9058 10.3669 3.5584 H 0 0 0 0 0 0 0 0 0 4.5517 9.6264 2.7334 H 0 0 0 0 0 0 0 0 0 4.1831 12.6485 -0.0632 H 0 0 0 0 0 0 0 0 0 4.8905 14.1690 1.7910 H 0 0 0 0 0 0 0 0 0 6.5222 14.1513 1.1305 H 0 0 0 0 0 0 0 0 0 5.1922 14.8226 0.1890 H 0 0 0 0 0 0 0 0 0 5.9675 11.4520 -1.3318 H 0 0 0 0 0 0 0 0 0 5.8457 13.1548 -1.7291 H 0 0 0 0 0 0 0 0 0 7.1442 12.5856 -0.6883 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 25 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 16 1 0 0 0 0 5 6 2 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 17 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 26 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 M END > 626551 > K $$$$ 626734 1016 111283D 626734 51 53 1 1 V2000 -0.1921 0.9195 0.0527 C 0 0 0 0 0 0 0 0 0 -0.0792 -0.4069 -0.6436 C 0 0 1 0 0 0 0 0 0 1.1614 -0.4771 -1.5529 C 0 0 1 0 0 0 0 0 0 2.3336 0.0687 -0.8741 N 0 0 0 0 0 0 0 0 0 2.2027 1.4777 -0.5152 C 0 0 1 0 0 0 0 0 0 1.0227 1.7170 0.4388 C 0 0 1 0 0 0 0 0 0 -1.2931 1.3415 0.3143 O 0 0 0 0 0 0 0 0 0 0.6961 3.2112 0.5355 C 0 0 0 0 0 0 0 0 0 3.5733 -0.1592 -1.6772 N 0 0 0 0 0 0 0 0 0 4.0335 0.7465 -2.4049 O 0 0 0 0 0 0 0 0 0 -0.1308 -1.4471 0.4776 C 0 0 0 0 0 0 0 0 0 3.4784 1.9360 0.1428 C 0 0 0 0 0 0 0 0 0 4.1372 3.0797 -0.2927 C 0 0 0 0 0 0 0 0 0 5.3068 3.4883 0.3351 C 0 0 0 0 0 0 0 0 0 5.8334 2.7682 1.3992 C 0 0 0 0 0 0 0 0 0 5.1736 1.6190 1.8264 C 0 0 0 0 0 0 0 0 0 4.0055 1.2056 1.2010 C 0 0 0 0 0 0 0 0 0 6.9815 3.2582 1.9514 O 0 0 0 0 0 0 0 0 0 7.5644 2.5506 3.0282 C 0 0 0 0 0 0 0 0 0 1.4294 -1.8878 -2.0209 C 0 0 0 0 0 0 0 0 0 2.1376 -2.7630 -1.2053 C 0 0 0 0 0 0 0 0 0 2.3875 -4.0650 -1.6147 C 0 0 0 0 0 0 0 0 0 1.9399 -4.5135 -2.8539 C 0 0 0 0 0 0 0 0 0 1.2365 -3.6355 -3.6684 C 0 0 0 0 0 0 0 0 0 0.9793 -2.3325 -3.2591 C 0 0 0 0 0 0 0 0 0 2.1451 -5.7725 -3.3404 O 0 0 0 0 0 0 0 0 0 2.5969 -6.7706 -2.4446 C 0 0 0 0 0 0 0 0 0 -0.9560 -0.5428 -1.2614 H 0 0 0 0 0 0 0 0 0 0.9761 0.1356 -2.4258 H 0 0 0 0 0 0 0 0 0 2.0449 2.0387 -1.4275 H 0 0 0 0 0 0 0 0 0 1.2891 1.3663 1.4246 H 0 0 0 0 0 0 0 0 0 -0.1356 3.3651 1.2077 H 0 0 0 0 0 0 0 0 0 1.5503 3.7522 0.9162 H 0 0 0 0 0 0 0 0 0 0.4365 3.6037 -0.4376 H 0 0 0 0 0 0 0 0 0 -1.0254 -1.2992 1.0664 H 0 0 0 0 0 0 0 0 0 -0.1624 -2.4445 0.0662 H 0 0 0 0 0 0 0 0 0 0.7338 -1.3449 1.1175 H 0 0 0 0 0 0 0 0 0 3.7561 3.6390 -1.0965 H 0 0 0 0 0 0 0 0 0 5.8043 4.3521 0.0059 H 0 0 0 0 0 0 0 0 0 5.5495 1.0523 2.6244 H 0 0 0 0 0 0 0 0 0 3.5199 0.3347 1.5317 H 0 0 0 0 0 0 0 0 0 6.8883 2.5168 3.8709 H 0 0 0 0 0 0 0 0 0 7.8278 1.5468 2.7260 H 0 0 0 0 0 0 0 0 0 8.4647 3.0648 3.3308 H 0 0 0 0 0 0 0 0 0 2.4899 -2.4413 -0.2695 H 0 0 0 0 0 0 0 0 0 2.9194 -4.7026 -0.9748 H 0 0 0 0 0 0 0 0 0 0.8975 -3.9682 -4.6049 H 0 0 0 0 0 0 0 0 0 0.4440 -1.6873 -3.8924 H 0 0 0 0 0 0 0 0 0 2.7091 -7.6977 -2.9868 H 0 0 0 0 0 0 0 0 0 3.5566 -6.5093 -2.0228 H 0 0 0 0 0 0 0 0 0 1.8751 -6.9213 -1.6535 H 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 6 0 0 0 2 11 1 1 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 29 1 6 0 0 0 4 9 1 0 0 0 0 4 5 1 0 0 0 0 5 12 1 0 0 0 0 5 6 1 1 0 0 0 5 30 1 6 0 0 0 6 8 1 0 0 0 0 6 31 1 1 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END > 626734 > K $$$$ 627168 1016 111283D 627168 48 51 0 2 V2000 -4.8153 6.1995 -2.2919 C 0 0 0 0 0 0 0 0 0 -5.7475 6.1426 -3.3185 C 0 0 0 0 0 0 0 0 0 -5.0858 6.9343 -1.1465 C 0 0 0 0 0 0 0 0 0 -6.2869 7.6284 -0.9975 C 0 0 0 0 0 0 0 0 0 -7.2158 7.5678 -2.0293 C 0 0 0 0 0 0 0 0 0 -6.9503 6.8316 -3.1784 C 0 0 0 0 0 0 0 0 0 -5.3891 5.3949 -4.4023 O 0 0 0 0 0 0 0 0 0 -6.2892 5.3011 -5.4879 C 0 0 0 0 0 0 0 0 0 -4.1243 7.0330 -0.0088 C 0 0 0 0 0 0 0 0 0 -2.8951 6.5289 0.2380 N 0 0 0 0 0 0 0 0 0 -4.4972 7.7884 1.0702 C 0 0 0 0 0 0 0 0 0 -5.6908 8.4701 1.2003 C 0 0 0 0 0 0 0 0 0 -6.5622 8.3618 0.1389 N 0 0 0 0 0 0 0 0 0 -3.4875 7.7527 1.9958 C 0 0 0 0 0 0 0 0 0 -2.5171 6.9751 1.4686 N 0 0 0 0 0 0 0 0 0 -3.6430 8.4544 3.1804 C 0 0 0 0 0 0 0 0 0 -4.8311 9.1619 3.3591 C 0 0 0 0 0 0 0 0 0 -5.8471 9.1773 2.3968 C 0 0 0 0 0 0 0 0 0 -6.9716 9.8965 2.6717 N 0 3 0 0 0 0 0 0 0 -7.0757 10.5114 3.7567 O 0 0 0 0 0 0 0 0 0 -8.0864 9.9843 1.7368 O 0 5 0 0 0 0 0 0 0 -1.2632 6.6505 2.0847 C 0 0 0 0 0 0 0 0 0 -0.1417 7.4080 1.3759 C 0 0 0 0 0 0 0 0 0 -0.3529 8.9229 1.4289 C 0 0 0 0 0 0 0 0 0 -0.5514 9.4235 2.7902 N 0 0 0 0 0 0 0 0 0 0.6104 9.2909 3.6662 C 0 0 0 0 0 0 0 0 0 -1.1061 10.7737 2.8144 C 0 0 0 0 0 0 0 0 0 -3.9064 5.6832 -2.3896 H 0 0 0 0 0 0 0 0 0 -8.1269 8.0833 -1.9395 H 0 0 0 0 0 0 0 0 0 -7.6707 6.8023 -3.9404 H 0 0 0 0 0 0 0 0 0 -5.8412 4.6816 -6.2512 H 0 0 0 0 0 0 0 0 0 -7.2160 4.8427 -5.1737 H 0 0 0 0 0 0 0 0 0 -6.4813 6.2781 -5.9080 H 0 0 0 0 0 0 0 0 0 -7.4162 8.8252 0.1911 H 0 0 0 0 0 0 0 0 0 -2.8913 8.4514 3.9140 H 0 0 0 0 0 0 0 0 0 -4.9619 9.7008 4.2510 H 0 0 0 0 0 0 0 0 0 -1.2686 6.9055 3.1349 H 0 0 0 0 0 0 0 0 0 -1.0889 5.5885 1.9907 H 0 0 0 0 0 0 0 0 0 0.8018 7.1547 1.8350 H 0 0 0 0 0 0 0 0 0 -0.1088 7.0958 0.3418 H 0 0 0 0 0 0 0 0 0 0.4963 9.4137 0.9738 H 0 0 0 0 0 0 0 0 0 -1.2253 9.1471 0.8299 H 0 0 0 0 0 0 0 0 0 0.3783 9.6660 4.6528 H 0 0 0 0 0 0 0 0 0 0.8944 8.2541 3.7681 H 0 0 0 0 0 0 0 0 0 1.4470 9.8475 3.2674 H 0 0 0 0 0 0 0 0 0 -2.0272 10.8090 2.2503 H 0 0 0 0 0 0 0 0 0 -1.3223 11.0682 3.8315 H 0 0 0 0 0 0 0 0 0 -0.4053 11.4767 2.3862 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 28 1 0 0 0 0 2 7 1 0 0 0 0 2 6 1 0 0 0 0 3 9 1 0 0 0 0 3 4 2 0 0 0 0 4 13 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 15 1 0 0 0 0 11 14 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M CHG 2 19 1 21 -1 M END > 627168 > K $$$$ 627371 1016 111283D 627371 18 19 0 2 V2000 -0.0408 1.3291 0.0053 C 0 0 0 0 0 0 0 0 0 -0.0021 -0.0674 -0.0014 C 0 0 0 0 0 0 0 0 0 1.2085 -0.7769 -0.0144 C 0 0 0 0 0 0 0 0 0 2.4056 -0.0593 -0.0209 C 0 0 0 0 0 0 0 0 0 2.3507 1.3216 -0.0141 C 0 0 0 0 0 0 0 0 0 1.1630 2.0087 -0.0014 C 0 0 0 0 0 0 0 0 0 1.4058 3.3214 0.0027 N 0 0 0 0 0 0 0 0 0 2.9162 3.6626 -0.0079 Se 0 3 0 0 0 0 0 0 0 3.3712 2.1679 -0.0185 N 0 5 0 0 0 0 0 0 0 -1.1813 2.0684 0.0178 N 0 3 0 0 0 0 0 0 0 -2.2949 1.5003 0.0235 O 0 0 0 0 0 0 0 0 0 -1.1187 3.5318 0.0249 O 0 5 0 0 0 0 0 0 0 1.2068 -2.3024 -0.0213 C 0 0 0 0 0 0 0 0 0 2.4362 -2.9270 -0.0362 F 0 0 0 0 0 0 0 0 0 0.4842 -2.7061 1.0854 F 0 0 0 0 0 0 0 0 0 0.4629 -2.6961 -1.1176 F 0 0 0 0 0 0 0 0 0 -0.9101 -0.6034 0.0036 H 0 0 0 0 0 0 0 0 0 3.3480 -0.5274 -0.0307 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 M CHG 4 8 1 9 -1 10 1 12 -1 M END > 627371 > K $$$$ 627666 1016 111283D 627666 56 61 1 1 V2000 -8.7429 0.5957 -0.7819 C 0 0 0 0 0 0 0 0 0 -8.1182 -0.6590 -0.5011 O 0 0 0 0 0 0 0 0 0 -7.0501 -0.7084 0.3512 C 0 0 0 0 0 0 0 0 0 -6.4246 -1.9247 0.6138 C 0 0 0 0 0 0 0 0 0 -6.8788 -3.0720 0.0248 O 0 0 0 0 0 0 0 0 0 -8.1474 -3.6081 0.3938 C 0 0 0 0 0 0 0 0 0 -5.3332 -1.9542 1.4770 C 0 0 0 0 0 0 0 0 0 -4.8652 -0.7850 2.0715 C 0 0 0 0 0 0 0 0 0 -5.5050 0.4206 1.8238 C 0 0 0 0 0 0 0 0 0 -6.5878 0.4513 0.9561 C 0 0 0 0 0 0 0 0 0 -5.0916 1.7176 2.4606 C 0 0 0 0 0 0 0 0 0 -3.7421 1.6331 3.1687 C 0 0 0 0 0 0 0 0 0 -3.5862 0.3310 3.7919 N 0 0 0 0 0 0 0 0 0 -3.6652 -0.8569 2.9714 C 0 0 2 0 0 0 0 0 0 -3.3708 0.2336 5.1337 C 0 0 0 0 0 0 0 0 0 -3.3922 -0.8361 5.6943 O 0 0 0 0 0 0 0 0 0 -3.1111 1.4531 5.9434 C 0 0 0 0 0 0 0 0 0 -3.9538 1.7634 7.0072 C 0 0 0 0 0 0 0 0 0 -3.7112 2.9083 7.7542 C 0 0 0 0 0 0 0 0 0 -2.6339 3.7315 7.4393 C 0 0 0 0 0 0 0 0 0 -1.7955 3.4149 6.3746 C 0 0 0 0 0 0 0 0 0 -2.0285 2.2703 5.6241 C 0 0 0 0 0 0 0 0 0 -2.4366 -0.9406 2.1250 C 0 0 0 0 0 0 0 0 0 -1.4784 -0.9960 1.4914 N 0 0 0 0 0 0 0 0 0 -3.7347 -2.1306 3.8222 C 0 0 0 0 0 0 0 0 0 -3.8688 -3.3332 2.9434 C 0 0 0 0 0 0 0 0 0 -4.6522 -3.2494 1.7908 C 0 0 0 0 0 0 0 0 0 -4.8055 -4.3414 0.9376 C 0 0 0 0 0 0 0 0 0 -4.1488 -5.5139 1.2859 C 0 0 0 0 0 0 0 0 0 -3.3730 -5.5956 2.4298 C 0 0 0 0 0 0 0 0 0 -3.2146 -4.5104 3.2870 C 0 0 0 0 0 0 0 0 0 -2.8434 -6.8421 2.5314 O 0 0 0 0 0 0 0 0 0 -3.0667 -7.4491 1.2487 C 0 0 0 0 0 0 0 0 0 -4.1322 -6.7066 0.6356 O 0 0 0 0 0 0 0 0 0 -8.0263 1.2799 -1.2312 H 0 0 0 0 0 0 0 0 0 -9.5681 0.4469 -1.4737 H 0 0 0 0 0 0 0 0 0 -9.1281 1.0361 0.1351 H 0 0 0 0 0 0 0 0 0 -8.2947 -4.5728 -0.0959 H 0 0 0 0 0 0 0 0 0 -8.1994 -3.7538 1.4691 H 0 0 0 0 0 0 0 0 0 -8.9385 -2.9344 0.0828 H 0 0 0 0 0 0 0 0 0 -7.0690 1.3716 0.7538 H 0 0 0 0 0 0 0 0 0 -5.0395 2.4799 1.6920 H 0 0 0 0 0 0 0 0 0 -5.8496 1.9998 3.1836 H 0 0 0 0 0 0 0 0 0 -2.9524 1.7909 2.4424 H 0 0 0 0 0 0 0 0 0 -3.6998 2.4234 3.9111 H 0 0 0 0 0 0 0 0 0 -4.7777 1.1373 7.2455 H 0 0 0 0 0 0 0 0 0 -4.3468 3.1546 8.5668 H 0 0 0 0 0 0 0 0 0 -2.4516 4.6043 8.0128 H 0 0 0 0 0 0 0 0 0 -0.9766 4.0457 6.1381 H 0 0 0 0 0 0 0 0 0 -1.3858 2.0274 4.8127 H 0 0 0 0 0 0 0 0 0 -2.8290 -2.2132 4.4218 H 0 0 0 0 0 0 0 0 0 -4.5980 -2.0508 4.4822 H 0 0 0 0 0 0 0 0 0 -5.3950 -4.2818 0.0556 H 0 0 0 0 0 0 0 0 0 -2.6191 -4.5700 4.1679 H 0 0 0 0 0 0 0 0 0 -2.1587 -7.3866 0.6357 H 0 0 0 0 0 0 0 0 0 -3.3375 -8.5028 1.3574 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 27 1 0 0 0 0 7 8 2 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 6 0 0 0 14 25 1 1 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 3 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 34 1 0 0 0 0 29 30 2 0 0 0 0 30 32 1 0 0 0 0 30 31 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 M END > 627666 > K $$$$ 627708 1016 111283D 627708 30 31 0 2 V2000 1.7446 1.1209 -0.6606 C 0 0 0 0 0 0 0 0 0 1.5940 -0.2549 -0.7632 C 0 0 0 0 0 0 0 0 0 1.0125 -0.9610 0.2796 C 0 0 0 0 0 0 0 0 0 0.7289 1.0946 1.5199 C 0 0 0 0 0 0 0 0 0 1.3222 1.8011 0.4762 C 0 0 0 0 0 0 0 0 0 0.5817 -0.2847 1.4129 C 0 0 0 0 0 0 0 0 0 2.5576 4.0872 1.8879 C 0 0 0 0 0 0 0 0 0 2.1340 5.1606 2.6597 C 0 0 0 0 0 0 0 0 0 2.8815 5.5681 3.7564 C 0 0 0 0 0 0 0 0 0 4.0561 4.9027 4.0866 C 0 0 0 0 0 0 0 0 0 4.4796 3.8277 3.3134 C 0 0 0 0 0 0 0 0 0 3.7334 3.4230 2.2139 C 0 0 0 0 0 0 0 0 0 1.5914 3.5655 0.4809 S 0 0 0 0 0 0 0 0 0 2.3445 3.8804 -0.6942 O 0 0 0 0 0 0 0 0 0 0.3432 4.2566 0.3837 O 0 0 0 0 0 0 0 0 0 0.2800 1.6905 2.6560 N 0 3 0 0 0 0 0 0 0 -0.2525 1.0161 3.5658 O 0 0 0 0 0 0 0 0 0 0.4014 3.1218 2.8527 O 0 5 0 0 0 0 0 0 0 4.8528 5.3527 5.2765 C 0 0 0 0 0 0 0 0 0 2.1839 1.6536 -1.4531 H 0 0 0 0 0 0 0 0 0 1.9192 -0.7582 -1.6271 H 0 0 0 0 0 0 0 0 0 0.8988 -2.0036 0.2112 H 0 0 0 0 0 0 0 0 0 0.1393 -0.8259 2.1971 H 0 0 0 0 0 0 0 0 0 1.2446 5.6606 2.4111 H 0 0 0 0 0 0 0 0 0 2.5537 6.3816 4.3344 H 0 0 0 0 0 0 0 0 0 5.3651 3.3178 3.5571 H 0 0 0 0 0 0 0 0 0 4.0582 2.6142 1.6289 H 0 0 0 0 0 0 0 0 0 4.3346 5.0588 6.1776 H 0 0 0 0 0 0 0 0 0 5.8364 4.9063 5.2723 H 0 0 0 0 0 0 0 0 0 4.9551 6.4278 5.2604 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 6 2 0 0 0 0 3 22 1 0 0 0 0 4 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 13 1 0 0 0 0 6 23 1 0 0 0 0 7 13 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M CHG 2 16 1 18 -1 M END > 627708 > K $$$$ 627991 1016 111283D 627991 35 38 0 1 V2000 -0.2834 0.2983 1.7031 O 0 0 0 0 0 0 0 0 0 -0.2025 1.4397 1.3196 C 0 0 0 0 0 0 0 0 0 1.0097 2.0659 1.3369 N 0 0 0 0 0 0 0 0 0 1.1095 3.3535 0.9085 C 0 0 0 0 0 0 0 0 0 -0.1218 4.0535 0.4245 C 0 0 0 0 0 0 0 0 0 -1.3792 3.2381 0.4676 C 0 0 0 0 0 0 0 0 0 -1.3365 2.0554 0.8834 N 0 0 0 0 0 0 0 0 0 -2.5447 3.8202 0.0431 N 0 0 0 0 0 0 0 0 0 -2.5168 5.1322 -0.3842 C 0 0 0 0 0 0 0 0 0 -1.3031 5.8250 -0.4044 C 0 0 0 0 0 0 0 0 0 -0.1440 5.2352 0.0046 N 0 0 0 0 0 0 0 0 0 -1.2406 7.1410 -0.8429 C 0 0 0 0 0 0 0 0 0 -2.3918 7.7906 -1.2647 C 0 0 0 0 0 0 0 0 0 -3.6054 7.1191 -1.2405 C 0 0 0 0 0 0 0 0 0 -3.6649 5.8046 -0.7984 C 0 0 0 0 0 0 0 0 0 2.1815 3.9102 0.9244 O 0 0 0 0 0 0 0 0 0 2.1906 1.3858 1.8023 C 0 0 0 0 0 0 0 0 0 -3.6961 3.0830 0.0562 C 0 0 0 0 0 0 0 0 0 -4.3734 2.8181 -1.1291 C 0 0 0 0 0 0 0 0 0 -5.5471 2.0758 -1.1165 C 0 0 0 0 0 0 0 0 0 -6.0493 1.5937 0.0848 C 0 0 0 0 0 0 0 0 0 -5.3746 1.8503 1.2710 C 0 0 0 0 0 0 0 0 0 -4.1999 2.5911 1.2551 C 0 0 0 0 0 0 0 0 0 -7.5229 0.6689 0.1029 Cl 0 0 0 0 0 0 0 0 0 -5.0557 7.9246 -1.7647 Cl 0 0 0 0 0 0 0 0 0 -0.3185 7.6440 -0.8543 H 0 0 0 0 0 0 0 0 0 -2.3461 8.7848 -1.6002 H 0 0 0 0 0 0 0 0 0 -4.5980 5.3265 -0.7829 H 0 0 0 0 0 0 0 0 0 1.9784 0.3691 2.1026 H 0 0 0 0 0 0 0 0 0 2.9303 1.3625 1.0143 H 0 0 0 0 0 0 0 0 0 2.6032 1.9145 2.6501 H 0 0 0 0 0 0 0 0 0 -3.9940 3.1807 -2.0390 H 0 0 0 0 0 0 0 0 0 -6.0552 1.8787 -2.0142 H 0 0 0 0 0 0 0 0 0 -5.7538 1.4840 2.1793 H 0 0 0 0 0 0 0 0 0 -3.6904 2.7825 2.1532 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 16 2 0 0 0 0 4 5 1 0 0 0 0 5 11 2 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 25 1 0 0 0 0 14 15 1 0 0 0 0 15 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END > 627991 > K $$$$ 628507 1016 111283D 628507 42 46 1 1 V2000 -0.0748 1.1698 -0.0638 C 0 0 0 0 0 0 0 0 0 -0.0107 -0.2129 -0.0857 C 0 0 0 0 0 0 0 0 0 1.2179 -0.8577 -0.0924 C 0 0 0 0 0 0 0 0 0 2.3913 -0.1117 -0.0763 C 0 0 0 0 0 0 0 0 0 2.3273 1.2885 -0.0506 C 0 0 0 0 0 0 0 0 0 1.0886 1.9247 -0.0458 C 0 0 0 0 0 0 0 0 0 3.5688 2.1064 -0.0278 C 0 0 0 0 0 0 0 0 0 3.5239 3.3177 -0.0324 O 0 0 0 0 0 0 0 0 0 4.8675 1.3743 0.0061 C 0 0 0 0 0 0 0 0 0 4.9156 0.0193 -0.0632 C 0 0 0 0 0 0 0 0 0 3.7052 -0.8132 -0.0870 C 0 0 0 0 0 0 0 0 0 3.7733 -2.0241 -0.1175 O 0 0 0 0 0 0 0 0 0 6.3439 -0.4152 -0.1311 C 0 0 1 0 0 0 0 0 0 6.5602 -1.3762 -1.2208 C 0 0 0 0 0 0 0 0 0 7.0792 0.9140 -0.4203 C 0 0 1 0 0 0 0 0 0 6.1318 1.9112 0.1264 N 0 0 0 0 0 0 0 0 0 6.9141 3.0389 0.6429 C 0 0 0 0 0 0 0 0 0 8.3941 2.5952 0.6565 C 0 0 0 0 0 0 0 0 0 8.3168 1.0568 0.4905 C 0 0 0 0 0 0 0 0 0 6.7421 -2.1291 -2.0655 N 0 0 0 0 0 0 0 0 0 6.8108 -1.0110 1.2069 C 0 0 1 0 0 0 0 0 0 5.7904 -2.4603 1.6629 S 0 0 0 0 0 0 0 0 0 6.9628 -3.8618 1.7150 C 0 0 0 0 0 0 0 0 0 8.3484 -3.2712 2.0684 C 0 0 0 0 0 0 0 0 0 8.4897 -1.7471 1.0586 S 0 0 0 0 0 0 0 0 0 5.6285 -2.2217 3.0558 O 0 0 0 0 0 0 0 0 0 7.2976 1.0600 -1.4798 H 0 0 0 0 0 0 0 0 0 -1.0325 1.6610 -0.0641 H 0 0 0 0 0 0 0 0 0 -0.9193 -0.7901 -0.0977 H 0 0 0 0 0 0 0 0 0 1.2607 -1.9338 -0.1098 H 0 0 0 0 0 0 0 0 0 1.0316 3.0001 -0.0284 H 0 0 0 0 0 0 0 0 0 6.7936 3.9034 -0.0090 H 0 0 0 0 0 0 0 0 0 6.5934 3.2862 1.6533 H 0 0 0 0 0 0 0 0 0 8.9363 3.0435 -0.1764 H 0 0 0 0 0 0 0 0 0 8.8639 2.8572 1.6044 H 0 0 0 0 0 0 0 0 0 8.1562 0.5698 1.4509 H 0 0 0 0 0 0 0 0 0 9.2102 0.6661 0.0045 H 0 0 0 0 0 0 0 0 0 6.7833 -0.2545 1.9938 H 0 0 0 0 0 0 0 0 0 6.6554 -4.5766 2.4781 H 0 0 0 0 0 0 0 0 0 7.0023 -4.3503 0.7417 H 0 0 0 0 0 0 0 0 0 8.3971 -3.0276 3.1298 H 0 0 0 0 0 0 0 0 0 9.1386 -3.9742 1.8052 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 11 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 16 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 21 1 1 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 14 20 3 0 0 0 0 15 16 1 0 0 0 0 15 19 1 1 0 0 0 15 27 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 21 38 1 1 0 0 0 22 26 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END > 628507 > K $$$$ 628672 1016 111283D 628672 62 67 1 2 V2000 0.7887 0.2374 3.3972 C 0 0 0 0 0 0 0 0 0 -0.0879 1.3121 3.5151 C 0 0 0 0 0 0 0 0 0 -1.4214 1.1755 3.1515 C 0 0 0 0 0 0 0 0 0 -1.8953 -0.0369 2.6694 C 0 0 0 0 0 0 0 0 0 -1.0306 -1.1175 2.5598 C 0 0 0 0 0 0 0 0 0 0.3025 -0.9772 2.9238 C 0 0 0 0 0 0 0 0 0 -3.2003 -0.1346 2.3156 N 0 3 0 0 0 0 0 0 0 -3.6802 -1.2032 1.8768 O 0 0 0 0 0 0 0 0 0 -4.0494 1.0424 2.4556 O 0 5 0 0 0 0 0 0 0 4.5496 1.8920 2.2510 C 0 0 0 0 0 0 0 0 0 5.8584 1.7863 1.8073 C 0 0 0 0 0 0 0 0 0 6.8291 1.2223 2.6004 C 0 0 0 0 0 0 0 0 0 6.5267 0.7449 3.8648 C 0 0 0 0 0 0 0 0 0 5.2171 0.8448 4.3266 C 0 0 0 0 0 0 0 0 0 4.2319 1.4219 3.5224 C 0 0 0 0 0 0 0 0 0 2.8125 1.5450 4.0133 C 0 0 1 0 0 0 0 0 0 2.1119 0.3179 3.7256 N 0 0 0 0 0 0 0 0 0 2.7851 1.8291 5.5168 C 0 0 1 0 0 0 0 0 0 3.6097 0.8407 6.3377 C 0 0 1 0 0 0 0 0 0 4.9105 0.3082 5.7052 C 0 0 1 0 0 0 0 0 0 4.9230 -1.2029 5.7208 C 0 0 0 0 0 0 0 0 0 5.0781 -1.8721 6.9284 C 0 0 0 0 0 0 0 0 0 5.1030 -3.2638 6.9785 C 0 0 0 0 0 0 0 0 0 4.9710 -3.9924 5.7979 C 0 0 0 0 0 0 0 0 0 4.8089 -3.3332 4.5818 C 0 0 0 0 0 0 0 0 0 4.7837 -1.9455 4.5549 C 0 0 0 0 0 0 0 0 0 5.0037 -5.3555 5.8500 O 0 0 0 0 0 0 0 0 0 5.2542 -3.9681 8.1415 O 0 0 0 0 0 0 0 0 0 5.1896 -3.2903 9.3822 C 0 0 0 0 0 0 0 0 0 4.6736 -4.0638 3.4351 O 0 0 0 0 0 0 0 0 0 5.3250 -3.5609 2.2806 C 0 0 0 0 0 0 0 0 0 6.3647 2.1848 0.6218 O 0 0 0 0 0 0 0 0 0 7.7444 1.8627 0.7530 C 0 0 0 0 0 0 0 0 0 8.0293 1.2140 1.9857 O 0 0 0 0 0 0 0 0 0 3.3746 3.1839 5.9132 C 0 0 0 0 0 0 0 0 0 3.7182 3.0733 7.2769 O 0 0 0 0 0 0 0 0 0 3.9391 1.7503 7.4767 C 0 0 0 0 0 0 0 0 0 4.3801 1.3210 8.5148 O 0 0 0 0 0 0 0 0 0 2.9776 0.0350 6.6831 H 0 0 0 0 0 0 0 0 0 1.7630 1.8059 5.8700 H 0 0 0 0 0 0 0 0 0 0.2466 2.2366 3.8808 H 0 0 0 0 0 0 0 0 0 -2.0802 1.9901 3.2394 H 0 0 0 0 0 0 0 0 0 -1.3842 -2.0392 2.2017 H 0 0 0 0 0 0 0 0 0 0.9493 -1.8006 2.8377 H 0 0 0 0 0 0 0 0 0 3.8191 2.3220 1.6307 H 0 0 0 0 0 0 0 0 0 7.2817 0.3162 4.4567 H 0 0 0 0 0 0 0 0 0 2.3496 2.3748 3.4966 H 0 0 0 0 0 0 0 0 0 2.6157 -0.5117 3.7660 H 0 0 0 0 0 0 0 0 0 5.7394 0.6163 6.3294 H 0 0 0 0 0 0 0 0 0 5.1782 -1.3103 7.8110 H 0 0 0 0 0 0 0 0 0 4.6579 -1.4606 3.6336 H 0 0 0 0 0 0 0 0 0 4.9231 -5.7179 4.9733 H 0 0 0 0 0 0 0 0 0 4.2707 -2.7270 9.4682 H 0 0 0 0 0 0 0 0 0 5.2116 -4.0238 10.1751 H 0 0 0 0 0 0 0 0 0 6.0393 -2.6333 9.5011 H 0 0 0 0 0 0 0 0 0 5.3751 -4.3515 1.5469 H 0 0 0 0 0 0 0 0 0 4.7783 -2.7358 1.8481 H 0 0 0 0 0 0 0 0 0 6.3348 -3.2438 2.5056 H 0 0 0 0 0 0 0 0 0 8.0421 1.2197 -0.0638 H 0 0 0 0 0 0 0 0 0 8.3253 2.7736 0.6970 H 0 0 0 0 0 0 0 0 0 4.2726 3.3986 5.3500 H 0 0 0 0 0 0 0 0 0 2.6614 3.9814 5.7577 H 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 3 4 2 0 0 0 0 3 42 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 43 1 0 0 0 0 6 44 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 45 1 0 0 0 0 11 32 1 0 0 0 0 11 12 2 0 0 0 0 12 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 20 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 6 0 0 0 17 48 1 0 0 0 0 18 35 1 0 0 0 0 18 19 1 1 0 0 0 18 40 1 6 0 0 0 19 37 1 0 0 0 0 19 20 1 1 0 0 0 19 39 1 6 0 0 0 20 21 1 6 0 0 0 20 49 1 1 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 28 1 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 24 25 2 0 0 0 0 25 30 1 0 0 0 0 25 26 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 M CHG 2 7 1 9 -1 M END > 628672 > K $$$$ 628918 1016 111283D 628918 41 42 0 2 V2000 9.7414 7.6882 2.3059 C 0 0 0 0 0 0 0 0 0 10.2455 7.6165 1.0127 C 0 0 0 0 0 0 0 0 0 10.6768 6.3915 0.5056 C 0 0 0 0 0 0 0 0 0 10.5340 5.2205 1.2398 C 0 0 0 0 0 0 0 0 0 9.9715 5.2713 2.5313 C 0 0 0 0 0 0 0 0 0 9.6136 6.5202 3.0573 C 0 0 0 0 0 0 0 0 0 10.9268 3.9930 0.7474 N 0 2 0 0 0 0 0 0 0 11.4463 3.8773 -0.4062 O 0 0 0 0 0 0 0 0 0 10.7595 2.8676 1.5083 N 0 0 0 0 0 0 0 0 0 10.1318 2.8750 2.7337 C 0 0 0 0 0 0 0 0 0 9.7824 4.1017 3.2475 N 0 2 0 0 0 0 0 0 0 9.8590 1.7221 3.4153 N 0 0 0 0 0 0 0 0 0 10.0000 0.4214 2.8061 C 0 0 0 0 0 0 0 0 0 8.9715 0.3161 1.6773 C 0 0 0 0 0 0 0 0 0 9.1878 1.3384 0.6301 N 0 0 0 0 0 0 0 0 0 9.8910 0.7476 -0.5266 C 0 0 0 0 0 0 0 0 0 11.2922 0.1944 -0.2615 C 0 0 0 0 0 0 0 0 0 7.9040 1.8589 0.1318 C 0 0 0 0 0 0 0 0 0 7.2344 2.8555 1.0778 C 0 0 0 0 0 0 0 0 0 10.3632 8.6442 0.1588 N 0 3 0 0 0 0 0 0 0 10.1465 9.8489 0.4241 O 0 0 0 0 0 0 0 0 0 10.7806 8.1372 -1.1290 O 0 5 0 0 0 0 0 0 0 9.2726 4.1330 4.4052 O 0 0 0 0 0 0 0 0 0 9.4576 8.6223 2.7095 H 0 0 0 0 0 0 0 0 0 11.1196 6.3314 -0.4486 H 0 0 0 0 0 0 0 0 0 9.2357 6.6021 4.0387 H 0 0 0 0 0 0 0 0 0 9.5476 1.7264 4.3436 H 0 0 0 0 0 0 0 0 0 11.0033 0.2366 2.4487 H 0 0 0 0 0 0 0 0 0 9.7820 -0.3508 3.5362 H 0 0 0 0 0 0 0 0 0 8.9912 -0.6905 1.2744 H 0 0 0 0 0 0 0 0 0 8.0010 0.4206 2.1454 H 0 0 0 0 0 0 0 0 0 9.3006 -0.0650 -0.9379 H 0 0 0 0 0 0 0 0 0 9.9967 1.4793 -1.3170 H 0 0 0 0 0 0 0 0 0 11.7153 -0.1432 -1.1983 H 0 0 0 0 0 0 0 0 0 11.9419 0.9471 0.1565 H 0 0 0 0 0 0 0 0 0 11.2446 -0.6589 0.3999 H 0 0 0 0 0 0 0 0 0 8.0271 2.3692 -0.8155 H 0 0 0 0 0 0 0 0 0 7.2186 1.0376 -0.0488 H 0 0 0 0 0 0 0 0 0 6.2849 3.1454 0.6475 H 0 0 0 0 0 0 0 0 0 7.0421 2.4077 2.0422 H 0 0 0 0 0 0 0 0 0 7.8381 3.7412 1.1897 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 20 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 10 11 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 M CHG 4 7 2 11 2 20 1 22 -1 M END > 628918 > K $$$$ 629301 1016 111283D 629301 31 34 1 1 V2000 -0.0168 1.3882 0.0097 C 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 1.2458 -0.6189 -0.0123 C 0 0 0 0 0 0 0 0 0 2.4495 0.0801 -0.0171 C 0 0 0 0 0 0 0 0 0 2.4590 1.4419 -0.0072 C 0 0 0 0 0 0 0 0 0 1.2128 2.0676 0.0016 C 0 0 0 0 0 0 0 0 0 -0.9618 2.3296 0.0290 O 0 0 0 0 0 0 0 0 0 -0.4163 3.5748 0.0207 C 0 0 0 0 0 0 0 0 0 0.9095 3.4965 0.0023 C 0 0 0 0 0 0 0 0 0 3.6783 2.3179 0.0052 C 0 0 1 0 0 0 0 0 0 3.6656 3.2237 -1.2010 C 0 0 0 0 0 0 0 0 0 2.8773 4.2738 -1.2242 C 0 0 0 0 0 0 0 0 0 1.9934 4.5437 -0.0226 C 0 0 2 0 0 0 0 0 0 2.8510 4.4067 1.2324 C 0 0 0 0 0 0 0 0 0 3.6976 3.1550 1.2766 C 0 0 0 0 0 0 0 0 0 3.7409 5.5760 1.3202 C 0 0 0 0 0 0 0 0 0 3.2281 2.3157 2.3910 C 0 0 0 0 0 0 0 0 0 5.0895 3.5460 1.5528 C 0 0 0 0 0 0 0 0 0 1.9639 4.4075 2.4070 C 0 0 0 0 0 0 0 0 0 4.4277 6.4783 1.3879 N 0 0 0 0 0 0 0 0 0 1.2793 4.4081 3.3135 N 0 0 0 0 0 0 0 0 0 6.1637 3.8479 1.7659 N 0 0 0 0 0 0 0 0 0 2.8657 1.6680 3.2510 N 0 0 0 0 0 0 0 0 0 -0.9114 -0.5802 0.0073 H 0 0 0 0 0 0 0 0 0 1.2820 -1.6983 -0.0196 H 0 0 0 0 0 0 0 0 0 3.3835 -0.4619 -0.0285 H 0 0 0 0 0 0 0 0 0 -0.9802 4.4958 0.0309 H 0 0 0 0 0 0 0 0 0 4.5715 1.6938 -0.0214 H 0 0 0 0 0 0 0 0 0 4.3046 3.0090 -2.0448 H 0 0 0 0 0 0 0 0 0 2.8587 4.9308 -2.0812 H 0 0 0 0 0 0 0 0 0 1.5553 5.5393 -0.0915 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 1 0 0 0 10 11 1 6 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 1 0 0 0 13 31 1 6 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 17 1 0 0 0 0 16 20 3 0 0 0 0 17 23 3 0 0 0 0 18 22 3 0 0 0 0 19 21 3 0 0 0 0 M END > 629301 > K $$$$ 629713 1016 111283D 629713 42 46 0 1 V2000 -0.4350 1.9402 0.5398 C 0 0 0 0 0 0 0 0 0 -0.5993 0.5726 0.6789 C 0 0 0 0 0 0 0 0 0 0.4988 -0.2676 0.6852 C 0 0 0 0 0 0 0 0 0 1.7767 0.2477 0.5524 C 0 0 0 0 0 0 0 0 0 1.9601 1.6202 0.4112 C 0 0 0 0 0 0 0 0 0 0.8429 2.4751 0.4048 C 0 0 0 0 0 0 0 0 0 1.0286 3.9334 0.2566 C 0 0 0 0 0 0 0 0 0 0.0699 4.6772 0.3115 O 0 0 0 0 0 0 0 0 0 2.3857 4.4874 0.0410 C 0 0 0 0 0 0 0 0 0 3.5013 3.6334 0.0460 C 0 0 0 0 0 0 0 0 0 3.3201 2.1799 0.2683 C 0 0 0 0 0 0 0 0 0 4.2883 1.4495 0.3346 O 0 0 0 0 0 0 0 0 0 2.5467 5.7909 -0.1564 N 0 0 0 0 0 0 0 0 0 3.7609 6.2870 -0.3503 C 0 0 0 0 0 0 0 0 0 4.8814 5.4291 -0.3468 C 0 0 0 0 0 0 0 0 0 4.7184 4.1283 -0.1494 N 0 0 0 0 0 0 0 0 0 6.2381 5.9813 -0.5637 C 0 0 0 0 0 0 0 0 0 7.2809 5.6353 0.2962 C 0 0 0 0 0 0 0 0 0 8.5428 6.1528 0.0887 C 0 0 0 0 0 0 0 0 0 8.7753 7.0133 -0.9698 C 0 0 0 0 0 0 0 0 0 7.7454 7.3606 -1.8256 C 0 0 0 0 0 0 0 0 0 6.4801 6.8451 -1.6319 C 0 0 0 0 0 0 0 0 0 3.9409 7.7402 -0.5707 C 0 0 0 0 0 0 0 0 0 3.1461 8.4113 -1.4999 C 0 0 0 0 0 0 0 0 0 3.3186 9.7657 -1.7004 C 0 0 0 0 0 0 0 0 0 4.2775 10.4576 -0.9826 C 0 0 0 0 0 0 0 0 0 5.0693 9.7974 -0.0596 C 0 0 0 0 0 0 0 0 0 4.9025 8.4448 0.1544 C 0 0 0 0 0 0 0 0 0 -1.2972 2.5905 0.5315 H 0 0 0 0 0 0 0 0 0 -1.5916 0.1594 0.7836 H 0 0 0 0 0 0 0 0 0 0.3586 -1.3328 0.7948 H 0 0 0 0 0 0 0 0 0 2.6302 -0.4141 0.5588 H 0 0 0 0 0 0 0 0 0 7.1005 4.9641 1.1228 H 0 0 0 0 0 0 0 0 0 9.3507 5.8860 0.7538 H 0 0 0 0 0 0 0 0 0 9.7649 7.4158 -1.1282 H 0 0 0 0 0 0 0 0 0 7.9330 8.0332 -2.6495 H 0 0 0 0 0 0 0 0 0 5.6779 7.1133 -2.3034 H 0 0 0 0 0 0 0 0 0 2.3978 7.8721 -2.0615 H 0 0 0 0 0 0 0 0 0 2.7038 10.2864 -2.4197 H 0 0 0 0 0 0 0 0 0 4.4087 11.5175 -1.1433 H 0 0 0 0 0 0 0 0 0 5.8164 10.3430 0.4976 H 0 0 0 0 0 0 0 0 0 5.5180 7.9315 0.8782 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 13 1 0 0 0 0 9 10 2 0 0 0 0 10 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 14 23 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END > 629713 > K $$$$ 629738 1016 111283D 629738 66 69 0 1 V2000 -21.6749 1.2019 6.9608 C 0 0 0 0 0 0 0 0 0 -21.8458 0.9882 8.3276 C 0 0 0 0 0 0 0 0 0 -22.9942 1.4144 8.9807 C 0 0 0 0 0 0 0 0 0 -23.9983 2.0573 8.2724 C 0 0 0 0 0 0 0 0 0 -23.8509 2.2647 6.9089 C 0 0 0 0 0 0 0 0 0 -22.7003 1.8373 6.2561 C 0 0 0 0 0 0 0 0 0 -20.5218 0.8027 6.2807 C 0 0 0 0 0 0 0 0 0 -20.4210 1.0300 4.9107 C 0 0 0 0 0 0 0 0 0 -21.4461 1.6509 4.2135 C 0 0 0 0 0 0 0 0 0 -22.5866 2.0555 4.8887 C 0 0 0 0 0 0 0 0 0 -19.3583 0.1298 6.9719 C 0 0 0 0 0 0 0 0 0 -17.8836 3.9955 3.4724 C 0 0 0 0 0 0 0 0 0 -18.6530 3.9181 4.7755 C 0 0 0 0 0 0 0 0 0 -18.0167 3.3329 5.8671 C 0 0 0 0 0 0 0 0 0 -18.6475 3.2341 7.0976 C 0 0 0 0 0 0 0 0 0 -19.9354 3.7216 7.2484 C 0 0 0 0 0 0 0 0 0 -20.5888 4.3005 6.1680 C 0 0 0 0 0 0 0 0 0 -19.9566 4.4016 4.9254 C 0 0 0 0 0 0 0 0 0 -20.6629 4.9899 3.8771 C 0 0 0 0 0 0 0 0 0 -21.9599 5.4538 4.0541 C 0 0 0 0 0 0 0 0 0 -22.5737 5.3474 5.2930 C 0 0 0 0 0 0 0 0 0 -21.8831 4.7744 6.3503 C 0 0 0 0 0 0 0 0 0 -18.4926 -0.6693 6.2951 N 0 0 0 0 0 0 0 0 0 -17.2588 -1.1164 6.8814 C 0 0 0 0 0 0 0 0 0 -16.1330 -0.2141 6.3721 C 0 0 0 0 0 0 0 0 0 -19.1626 0.2851 8.1530 O 0 0 0 0 0 0 0 0 0 -18.4596 4.1097 2.4178 O 0 0 0 0 0 0 0 0 0 -16.5233 3.9403 3.4290 N 0 0 0 0 0 0 0 0 0 -15.8178 3.8344 2.1788 C 0 0 0 0 0 0 0 0 0 -14.4109 3.2489 2.3524 C 0 0 0 0 0 0 0 0 0 -14.2692 1.7561 2.0341 C 0 0 0 0 0 0 0 0 0 -16.0773 -0.2261 4.8427 C 0 0 0 0 0 0 0 0 0 -15.0492 0.7482 4.2691 C 0 0 0 0 0 0 0 0 0 -15.2318 0.8095 2.7515 C 0 0 0 0 0 0 0 0 0 -21.1132 0.5005 8.8970 H 0 0 0 0 0 0 0 0 0 -23.1026 1.2495 10.0126 H 0 0 0 0 0 0 0 0 0 -24.8657 2.3849 8.7658 H 0 0 0 0 0 0 0 0 0 -24.6152 2.7479 6.3739 H 0 0 0 0 0 0 0 0 0 -19.5621 0.7367 4.3831 H 0 0 0 0 0 0 0 0 0 -21.3586 1.8159 3.1795 H 0 0 0 0 0 0 0 0 0 -23.3610 2.5285 4.3592 H 0 0 0 0 0 0 0 0 0 -17.0438 2.9518 5.7765 H 0 0 0 0 0 0 0 0 0 -18.1529 2.7903 7.9116 H 0 0 0 0 0 0 0 0 0 -20.4106 3.6467 8.1829 H 0 0 0 0 0 0 0 0 0 -20.2332 5.0976 2.9277 H 0 0 0 0 0 0 0 0 0 -22.4780 5.8866 3.2489 H 0 0 0 0 0 0 0 0 0 -23.5543 5.6977 5.4302 H 0 0 0 0 0 0 0 0 0 -22.3475 4.6992 7.2900 H 0 0 0 0 0 0 0 0 0 -18.7091 -0.9457 5.3919 H 0 0 0 0 0 0 0 0 0 -17.2953 -1.0700 7.9617 H 0 0 0 0 0 0 0 0 0 -17.0652 -2.1394 6.5904 H 0 0 0 0 0 0 0 0 0 -16.3169 0.7937 6.7156 H 0 0 0 0 0 0 0 0 0 -15.1891 -0.5514 6.7753 H 0 0 0 0 0 0 0 0 0 -16.0187 3.9815 4.2547 H 0 0 0 0 0 0 0 0 0 -16.3760 3.2547 1.4557 H 0 0 0 0 0 0 0 0 0 -15.7208 4.8388 1.7907 H 0 0 0 0 0 0 0 0 0 -13.7573 3.7651 1.6636 H 0 0 0 0 0 0 0 0 0 -14.0535 3.4485 3.3520 H 0 0 0 0 0 0 0 0 0 -14.4299 1.6295 0.9726 H 0 0 0 0 0 0 0 0 0 -13.2557 1.4528 2.2550 H 0 0 0 0 0 0 0 0 0 -15.8576 -1.2286 4.5018 H 0 0 0 0 0 0 0 0 0 -17.0433 0.0664 4.4583 H 0 0 0 0 0 0 0 0 0 -15.2100 1.7298 4.6886 H 0 0 0 0 0 0 0 0 0 -14.0514 0.4134 4.5155 H 0 0 0 0 0 0 0 0 0 -16.2459 1.1043 2.5212 H 0 0 0 0 0 0 0 0 0 -15.0716 -0.1838 2.3559 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 26 2 0 0 0 0 11 23 1 0 0 0 0 12 27 2 0 0 0 0 12 28 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 32 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 34 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 629738 > K $$$$ 629971 1016 111283D 629971 44 48 1 1 V2000 16.3342 2.2724 -3.5357 C 0 0 0 0 0 0 0 0 0 17.4172 2.8587 -2.8967 C 0 0 0 0 0 0 0 0 0 17.2309 3.7633 -1.8560 C 0 0 0 0 0 0 0 0 0 15.9353 4.0886 -1.4462 C 0 0 0 0 0 0 0 0 0 14.8476 3.4927 -2.0951 C 0 0 0 0 0 0 0 0 0 15.0469 2.5917 -3.1315 C 0 0 0 0 0 0 0 0 0 18.3549 4.2885 -1.2878 N 0 0 0 0 0 0 0 0 0 15.6775 4.9884 -0.4105 C 0 0 0 0 0 0 0 0 0 14.3629 5.2627 -0.0597 C 0 0 0 0 0 0 0 0 0 13.3384 4.6422 -0.7407 C 0 0 0 0 0 0 0 0 0 13.5667 3.7688 -1.7414 N 0 0 0 0 0 0 0 0 0 13.8322 6.1852 1.0101 C 0 0 0 0 0 0 0 0 0 12.4034 6.0153 0.8439 N 0 0 0 0 0 0 0 0 0 12.0769 5.1407 -0.1429 C 0 0 0 0 0 0 0 0 0 11.4433 6.6441 1.5758 C 0 0 0 0 0 0 0 0 0 11.7496 7.4074 2.4596 O 0 0 0 0 0 0 0 0 0 9.9952 6.3720 1.2624 C 0 0 0 0 0 0 0 0 0 9.6969 5.5107 0.2771 C 0 0 0 0 0 0 0 0 0 10.8168 4.8282 -0.4693 C 0 0 0 0 0 0 0 0 0 8.9124 7.0569 2.0475 C 0 0 0 0 0 0 0 0 0 7.6101 7.0420 1.4849 O 0 0 0 0 0 0 0 0 0 7.2692 5.9191 0.7923 C 0 0 0 0 0 0 0 0 0 8.2695 5.2166 -0.1003 C 0 0 1 0 0 0 0 0 0 6.1438 5.4893 0.8815 O 0 0 0 0 0 0 0 0 0 7.9918 5.7941 -1.4928 C 0 0 0 0 0 0 0 0 0 8.1710 3.8040 -0.1308 O 0 0 0 0 0 0 0 0 0 8.3291 7.2856 -1.6131 C 0 0 0 0 0 0 0 0 0 16.4878 1.5910 -4.3207 H 0 0 0 0 0 0 0 0 0 18.3900 2.6123 -3.2072 H 0 0 0 0 0 0 0 0 0 14.2207 2.1527 -3.6085 H 0 0 0 0 0 0 0 0 0 19.2326 4.0281 -1.6120 H 0 0 0 0 0 0 0 0 0 18.3093 4.9237 -0.5589 H 0 0 0 0 0 0 0 0 0 16.4529 5.4641 0.1109 H 0 0 0 0 0 0 0 0 0 14.1550 5.8668 1.9915 H 0 0 0 0 0 0 0 0 0 14.1284 7.2074 0.8218 H 0 0 0 0 0 0 0 0 0 10.6174 4.1272 -1.2255 H 0 0 0 0 0 0 0 0 0 8.8710 6.5877 3.0217 H 0 0 0 0 0 0 0 0 0 9.1945 8.0890 2.1967 H 0 0 0 0 0 0 0 0 0 8.5647 5.2460 -2.2254 H 0 0 0 0 0 0 0 0 0 6.9426 5.6575 -1.7155 H 0 0 0 0 0 0 0 0 0 7.2651 3.5425 -0.2655 H 0 0 0 0 0 0 0 0 0 8.0364 7.6424 -2.5884 H 0 0 0 0 0 0 0 0 0 7.8041 7.8604 -0.8630 H 0 0 0 0 0 0 0 0 0 9.3913 7.4396 -1.4882 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 20 1 0 0 0 0 17 18 2 0 0 0 0 18 23 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 22 23 1 0 0 0 0 23 26 1 1 0 0 0 23 25 1 6 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END > 629971 > K $$$$ 630032 1016 111283D 630032 46 47 0 1 V2000 2.3307 3.7895 9.4150 C 0 0 0 0 0 0 0 0 0 2.3196 3.3868 10.7455 C 0 0 0 0 0 0 0 0 0 1.7985 2.1469 11.0910 C 0 0 0 0 0 0 0 0 0 1.2932 1.3110 10.1043 C 0 0 0 0 0 0 0 0 0 1.3062 1.7207 8.7772 C 0 0 0 0 0 0 0 0 0 1.8253 2.9573 8.4184 C 0 0 0 0 0 0 0 0 0 1.7939 3.2732 7.0889 O 0 0 0 0 0 0 0 0 0 2.6516 4.2151 6.6051 C 0 0 0 0 0 0 0 0 0 2.1390 5.2401 5.8280 C 0 0 0 0 0 0 0 0 0 2.9876 6.2237 5.3445 C 0 0 0 0 0 0 0 0 0 4.3505 6.2082 5.6319 C 0 0 0 0 0 0 0 0 0 4.8828 5.1530 6.3767 C 0 0 0 0 0 0 0 0 0 4.0178 4.1733 6.8621 C 0 0 0 0 0 0 0 0 0 6.2312 5.1015 6.6207 N 0 0 0 0 0 0 0 0 0 8.1050 4.1304 7.2386 O 0 0 0 0 0 0 0 0 0 5.1303 7.2396 5.1692 N 0 0 0 0 0 0 0 0 0 4.6798 8.5244 5.0544 C 0 0 0 0 0 0 0 0 0 3.7625 8.9613 5.7887 N 0 0 0 0 0 0 0 0 0 3.6412 8.5556 7.0780 C 0 0 0 0 0 0 0 0 0 2.6557 8.8310 7.7199 O 0 0 0 0 0 0 0 0 0 4.6605 7.8370 7.6256 O 0 0 0 0 0 0 0 0 0 4.5604 7.6264 9.0154 C 0 0 0 0 0 0 0 0 0 5.2602 9.3049 4.1145 N 0 0 0 0 0 0 0 0 0 4.9821 10.6191 3.9784 C 0 0 0 0 0 0 0 0 0 4.1502 11.1579 4.6686 O 0 0 0 0 0 0 0 0 0 5.6737 11.3126 3.0378 O 0 0 0 0 0 0 0 0 0 5.2931 12.6724 2.9763 C 0 0 0 0 0 0 0 0 0 6.9200 4.0087 7.0452 C 0 0 0 0 0 0 0 0 0 2.7229 4.7301 9.1664 H 0 0 0 0 0 0 0 0 0 2.7048 4.0184 11.4923 H 0 0 0 0 0 0 0 0 0 1.7853 1.8412 12.0963 H 0 0 0 0 0 0 0 0 0 0.9019 0.3702 10.3601 H 0 0 0 0 0 0 0 0 0 0.9205 1.0928 8.0304 H 0 0 0 0 0 0 0 0 0 1.1122 5.2685 5.6102 H 0 0 0 0 0 0 0 0 0 2.5860 6.9912 4.7515 H 0 0 0 0 0 0 0 0 0 4.3857 3.3790 7.4376 H 0 0 0 0 0 0 0 0 0 6.7638 5.8997 6.4837 H 0 0 0 0 0 0 0 0 0 6.0451 7.0583 4.9077 H 0 0 0 0 0 0 0 0 0 5.4886 7.1879 9.3534 H 0 0 0 0 0 0 0 0 0 4.4124 8.5655 9.5298 H 0 0 0 0 0 0 0 0 0 3.7497 6.9494 9.2415 H 0 0 0 0 0 0 0 0 0 5.9059 8.9171 3.5092 H 0 0 0 0 0 0 0 0 0 5.8714 13.1584 2.2046 H 0 0 0 0 0 0 0 0 0 4.2433 12.7619 2.7320 H 0 0 0 0 0 0 0 0 0 5.4841 13.1695 3.9178 H 0 0 0 0 0 0 0 0 0 6.4640 3.0756 7.2056 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 13 36 1 0 0 0 0 14 28 1 0 0 0 0 14 37 1 0 0 0 0 15 28 2 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 23 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > 630032 > K $$$$ 630374 1016 111283D 630374 35 37 0 1 V2000 16.4029 0.9347 -0.9389 C 0 0 0 0 0 0 0 0 0 16.7115 1.1033 0.4064 C 0 0 0 0 0 0 0 0 0 15.8722 0.5894 1.3879 C 0 0 0 0 0 0 0 0 0 14.7212 -0.0927 1.0192 C 0 0 0 0 0 0 0 0 0 14.4198 -0.2556 -0.3237 C 0 0 0 0 0 0 0 0 0 15.2522 0.2514 -1.3127 C 0 0 0 0 0 0 0 0 0 13.1549 -1.0013 -0.5781 C 0 0 0 0 0 0 0 0 0 12.4883 -1.4257 0.5308 N 0 0 0 0 0 0 0 0 0 12.9165 -1.1514 1.6970 N 0 0 0 0 0 0 0 0 0 13.8672 -0.6119 1.9467 N 0 0 0 0 0 0 0 0 0 12.7458 -1.2128 -1.6960 O 0 0 0 0 0 0 0 0 0 11.3035 -2.1811 0.3897 O 0 0 0 0 0 0 0 0 0 10.2587 -1.3981 0.7509 C 0 0 0 0 0 0 0 0 0 9.9517 -1.2709 1.9121 O 0 0 0 0 0 0 0 0 0 9.4889 -0.6893 -0.3186 C 0 0 0 0 0 0 0 0 0 9.4244 0.8154 -0.0597 C 0 0 0 0 0 0 0 0 0 12.6871 2.3220 1.1286 C 0 0 0 0 0 0 0 0 0 11.4321 1.7281 1.1315 C 0 0 0 0 0 0 0 0 0 10.7942 1.4368 -0.0685 C 0 0 0 0 0 0 0 0 0 11.4289 1.7217 -1.2723 C 0 0 0 0 0 0 0 0 0 12.6855 2.3129 -1.2760 C 0 0 0 0 0 0 0 0 0 13.3127 2.6185 -0.0752 C 0 0 0 0 0 0 0 0 0 17.0420 1.3249 -1.6754 H 0 0 0 0 0 0 0 0 0 17.5833 1.6207 0.6834 H 0 0 0 0 0 0 0 0 0 16.1041 0.7140 2.4048 H 0 0 0 0 0 0 0 0 0 15.0139 0.1202 -2.3280 H 0 0 0 0 0 0 0 0 0 9.9675 -0.8786 -1.2691 H 0 0 0 0 0 0 0 0 0 8.4889 -1.0947 -0.3402 H 0 0 0 0 0 0 0 0 0 8.8212 1.2779 -0.8274 H 0 0 0 0 0 0 0 0 0 8.9462 0.9877 0.8948 H 0 0 0 0 0 0 0 0 0 13.1619 2.5461 2.0384 H 0 0 0 0 0 0 0 0 0 10.9655 1.5002 2.0454 H 0 0 0 0 0 0 0 0 0 10.9609 1.4916 -2.1843 H 0 0 0 0 0 0 0 0 0 13.1612 2.5286 -2.1876 H 0 0 0 0 0 0 0 0 0 14.2600 3.0719 -0.0772 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 26 1 0 0 0 0 7 11 2 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END > 630374 > K $$$$ 631152 1016 111283D 631152 30 32 0 2 V2000 3.2183 2.9999 -1.6053 N 0 0 0 0 0 0 0 0 0 3.9663 3.1920 -2.7132 N 0 0 0 0 0 0 0 0 0 4.8855 4.1491 -2.4601 N 0 0 0 0 0 0 0 0 0 4.6769 4.5827 -1.2007 N 0 0 0 0 0 0 0 0 0 3.6936 3.8323 -0.6652 C 0 0 0 0 0 0 0 0 0 3.1096 3.9074 1.0165 S 0 0 0 0 0 0 0 0 0 4.6143 4.1203 1.9556 C 0 0 0 0 0 0 0 0 0 5.7669 3.4413 1.7757 N 0 0 0 0 0 0 0 0 0 6.6529 3.9042 2.6800 C 0 0 0 0 0 0 0 0 0 6.0883 4.8612 3.4443 N 0 0 0 0 0 0 0 0 0 4.8232 5.0044 2.9983 C 0 0 0 0 0 0 0 0 0 3.8990 5.8700 3.4788 N 0 3 0 0 0 0 0 0 0 4.1658 6.5943 4.4623 O 0 0 0 0 0 0 0 0 0 2.5881 5.9523 2.8388 O 0 5 0 0 0 0 0 0 0 6.0235 2.4100 0.8063 C 0 0 0 0 0 0 0 0 0 5.3626 5.6064 -0.6162 C 0 0 0 0 0 0 0 0 0 6.7113 5.7710 -0.9076 C 0 0 0 0 0 0 0 0 0 7.4426 6.7850 -0.3020 C 0 0 0 0 0 0 0 0 0 6.8250 7.6528 0.5893 C 0 0 0 0 0 0 0 0 0 5.4731 7.5078 0.8691 C 0 0 0 0 0 0 0 0 0 4.7456 6.4920 0.2635 C 0 0 0 0 0 0 0 0 0 7.6454 3.5677 2.7792 H 0 0 0 0 0 0 0 0 0 6.3322 2.8536 -0.1301 H 0 0 0 0 0 0 0 0 0 6.8116 1.7556 1.1498 H 0 0 0 0 0 0 0 0 0 5.1357 1.8174 0.6380 H 0 0 0 0 0 0 0 0 0 7.1805 5.1222 -1.5878 H 0 0 0 0 0 0 0 0 0 8.4642 6.8953 -0.5187 H 0 0 0 0 0 0 0 0 0 7.3779 8.4181 1.0507 H 0 0 0 0 0 0 0 0 0 4.9966 8.1641 1.5375 H 0 0 0 0 0 0 0 0 0 3.7204 6.4025 0.4792 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 2 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 M CHG 2 12 1 14 -1 M END > 631152 > K $$$$ 631160 1016 111283D 631160 33 35 0 2 V2000 0.4490 1.5090 -0.6670 N 0 0 0 0 0 0 0 0 0 1.7045 1.0204 -0.5674 N 0 0 0 0 0 0 0 0 0 2.0126 0.9205 0.7403 C 0 0 0 0 0 0 0 0 0 0.9278 1.2857 1.4585 N 0 0 0 0 0 0 0 0 0 -0.0187 1.6715 0.5828 C 0 0 0 0 0 0 0 0 0 -1.6384 2.2970 0.9967 S 0 0 0 0 0 0 0 0 0 -2.3094 2.9672 -0.5171 C 0 0 0 0 0 0 0 0 0 -1.7063 3.8255 -1.3697 N 0 0 0 0 0 0 0 0 0 -2.5543 4.0430 -2.3951 C 0 0 0 0 0 0 0 0 0 -3.7000 3.3584 -2.2080 N 0 0 0 0 0 0 0 0 0 -3.5624 2.7003 -1.0384 C 0 0 0 0 0 0 0 0 0 -4.4996 1.9063 -0.4677 N 0 3 0 0 0 0 0 0 0 -5.5804 1.6981 -1.0599 O 0 0 0 0 0 0 0 0 0 -4.2494 1.2964 0.8362 O 0 5 0 0 0 0 0 0 0 -0.4035 4.4203 -1.2398 C 0 0 0 0 0 0 0 0 0 3.3633 0.4687 1.2357 C 0 0 0 0 0 0 0 0 0 4.1530 -0.3443 0.4309 C 0 0 0 0 0 0 0 0 0 5.3914 -0.7882 0.8754 C 0 0 0 0 0 0 0 0 0 5.8386 -0.4068 2.1321 C 0 0 0 0 0 0 0 0 0 5.0644 0.3938 2.8997 N 0 0 0 0 0 0 0 0 0 3.8569 0.8414 2.4808 C 0 0 0 0 0 0 0 0 0 0.7661 1.2741 2.8870 C 0 0 0 0 0 0 0 0 0 -2.3560 4.6597 -3.2253 H 0 0 0 0 0 0 0 0 0 0.3075 3.8776 -1.8467 H 0 0 0 0 0 0 0 0 0 -0.4290 5.4477 -1.5757 H 0 0 0 0 0 0 0 0 0 -0.0725 4.4075 -0.2115 H 0 0 0 0 0 0 0 0 0 3.8122 -0.6297 -0.5210 H 0 0 0 0 0 0 0 0 0 5.9842 -1.4066 0.2682 H 0 0 0 0 0 0 0 0 0 6.7716 -0.7358 2.4870 H 0 0 0 0 0 0 0 0 0 3.3052 1.4740 3.1092 H 0 0 0 0 0 0 0 0 0 1.0896 2.2185 3.3011 H 0 0 0 0 0 0 0 0 0 -0.2709 1.1173 3.1475 H 0 0 0 0 0 0 0 0 0 1.3405 0.4707 3.3251 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 22 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 21 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 M CHG 2 12 1 14 -1 M END > 631160 > K $$$$ 631521 1016 111283D 631521 32 35 0 1 V2000 0.0120 1.2179 -1.5920 C 0 0 0 0 0 0 0 0 0 0.0980 -0.1625 -1.6764 C 0 0 0 0 0 0 0 0 0 1.0933 1.9592 -1.1471 C 0 0 0 0 0 0 0 0 0 2.2711 1.3360 -0.7789 C 0 0 0 0 0 0 0 0 0 2.3734 -0.0516 -0.8558 C 0 0 0 0 0 0 0 0 0 1.2731 -0.8016 -1.3110 C 0 0 0 0 0 0 0 0 0 1.3726 -2.2980 -1.4027 C 0 0 0 0 0 0 0 0 0 0.4300 -2.9630 -1.8115 O 0 0 0 0 0 0 0 0 0 2.6371 -2.9381 -0.9866 C 0 0 0 0 0 0 0 0 0 3.7450 -2.1950 -0.5248 C 0 0 0 0 0 0 0 0 0 3.6484 -0.7089 -0.4523 C 0 0 0 0 0 0 0 0 0 4.5957 -0.0454 -0.0685 O 0 0 0 0 0 0 0 0 0 4.8089 -2.9321 -0.1889 N 0 0 0 0 0 0 0 0 0 4.7320 -4.2689 -0.3113 C 0 0 0 0 0 0 0 0 0 3.1468 -4.5833 -0.9202 S 0 0 0 0 0 0 0 0 0 5.7335 -5.1716 -0.0086 N 0 0 0 0 0 0 0 0 0 5.4519 -6.5217 0.1032 C 0 0 0 0 0 0 0 0 0 6.3409 -7.4711 -0.3876 C 0 0 0 0 0 0 0 0 0 6.0439 -8.8198 -0.2773 C 0 0 0 0 0 0 0 0 0 4.8568 -9.2259 0.3267 C 0 0 0 0 0 0 0 0 0 3.9707 -8.2806 0.8196 C 0 0 0 0 0 0 0 0 0 4.2740 -6.9349 0.7156 C 0 0 0 0 0 0 0 0 0 7.1501 -10.0131 -0.8977 Cl 0 0 0 0 0 0 0 0 0 4.4858 -10.9199 0.4611 Cl 0 0 0 0 0 0 0 0 0 -0.8892 1.7089 -1.8744 H 0 0 0 0 0 0 0 0 0 -0.7321 -0.7346 -2.0171 H 0 0 0 0 0 0 0 0 0 1.0192 3.0195 -1.0857 H 0 0 0 0 0 0 0 0 0 3.1008 1.9065 -0.4376 H 0 0 0 0 0 0 0 0 0 6.6509 -4.8615 0.1283 H 0 0 0 0 0 0 0 0 0 7.2493 -7.1701 -0.8521 H 0 0 0 0 0 0 0 0 0 3.0653 -8.5961 1.2813 H 0 0 0 0 0 0 0 0 0 3.5926 -6.2121 1.1016 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 25 1 0 0 0 0 2 6 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 15 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 23 1 0 0 0 0 19 20 2 0 0 0 0 20 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M END > 631521 > K $$$$ 631529 1016 111283D 631529 32 35 0 1 V2000 10.2966 -4.4363 5.5828 C 0 0 0 0 0 0 0 0 0 10.6507 -3.4878 6.5284 C 0 0 0 0 0 0 0 0 0 10.5775 -2.1360 6.2217 C 0 0 0 0 0 0 0 0 0 10.1474 -1.7354 4.9616 C 0 0 0 0 0 0 0 0 0 9.7899 -2.6921 4.0025 C 0 0 0 0 0 0 0 0 0 9.8663 -4.0454 4.3230 C 0 0 0 0 0 0 0 0 0 9.3291 -2.3037 2.6409 C 0 0 0 0 0 0 0 0 0 9.0052 -3.1436 1.8296 O 0 0 0 0 0 0 0 0 0 9.2813 -0.8458 2.3142 C 0 0 0 0 0 0 0 0 0 9.6416 0.0774 3.2955 C 0 0 0 0 0 0 0 0 0 10.0729 -0.2776 4.6476 C 0 0 0 0 0 0 0 0 0 10.3541 0.5691 5.4674 O 0 0 0 0 0 0 0 0 0 9.4378 1.6236 2.4891 S 0 0 0 0 0 0 0 0 0 8.9100 0.9965 0.9582 C 0 0 0 0 0 0 0 0 0 8.9202 -0.3161 1.1478 N 0 0 0 0 0 0 0 0 0 8.5622 1.6904 -0.1844 N 0 0 0 0 0 0 0 0 0 8.8672 3.0438 -0.2993 C 0 0 0 0 0 0 0 0 0 10.0867 3.5272 0.1640 C 0 0 0 0 0 0 0 0 0 10.3855 4.8748 0.0500 C 0 0 0 0 0 0 0 0 0 9.4689 5.7400 -0.5254 C 0 0 0 0 0 0 0 0 0 9.8458 7.4282 -0.6670 Cl 0 0 0 0 0 0 0 0 0 8.2534 5.2638 -0.9891 C 0 0 0 0 0 0 0 0 0 7.9522 3.9164 -0.8805 C 0 0 0 0 0 0 0 0 0 10.3585 -5.4813 5.8264 H 0 0 0 0 0 0 0 0 0 10.9830 -3.8007 7.5017 H 0 0 0 0 0 0 0 0 0 10.8532 -1.4022 6.9583 H 0 0 0 0 0 0 0 0 0 9.5936 -4.7903 3.5960 H 0 0 0 0 0 0 0 0 0 8.1039 1.2320 -0.9101 H 0 0 0 0 0 0 0 0 0 10.7974 2.8558 0.6114 H 0 0 0 0 0 0 0 0 0 11.3277 5.2480 0.4077 H 0 0 0 0 0 0 0 0 0 7.5451 5.9383 -1.4344 H 0 0 0 0 0 0 0 0 0 7.0110 3.5456 -1.2450 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 11 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 15 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 M END > 631529 > K $$$$ 631583 1016 111283D 631583 36 39 1 1 V2000 3.9771 8.6496 3.4297 N 0 0 0 0 0 0 0 0 0 3.8513 9.6802 4.2302 C 0 0 0 0 0 0 0 0 0 2.6832 10.4384 4.2710 C 0 0 0 0 0 0 0 0 0 1.6312 10.1131 3.4629 C 0 0 0 0 0 0 0 0 0 1.7711 9.0058 2.6052 C 0 0 0 0 0 0 0 0 0 2.9865 8.2797 2.6130 C 0 0 0 0 0 0 0 0 0 3.1306 7.1707 1.7515 C 0 0 0 0 0 0 0 0 0 2.1031 6.8142 0.9262 C 0 0 0 0 0 0 0 0 0 0.9081 7.5353 0.9288 C 0 0 0 0 0 0 0 0 0 0.7340 8.6092 1.7454 C 0 0 0 0 0 0 0 0 0 2.2457 5.6366 -0.0033 C 0 0 2 0 0 0 0 0 0 3.3740 4.7493 0.4410 C 0 0 0 0 0 0 0 0 0 4.3314 5.2046 1.2871 C 0 0 0 0 0 0 0 0 0 4.2912 6.4680 1.7543 O 0 0 0 0 0 0 0 0 0 5.3512 4.3700 1.6716 N 0 0 0 0 0 0 0 0 0 3.4394 3.4008 -0.0364 C 0 0 0 0 0 0 0 0 0 1.3177 5.0650 -0.0047 H 0 0 0 0 0 0 0 0 0 2.5243 6.1348 -1.3980 C 0 0 0 0 0 0 0 0 0 3.6231 6.9381 -1.6382 C 0 0 0 0 0 0 0 0 0 3.8788 7.3953 -2.9177 C 0 0 0 0 0 0 0 0 0 3.0358 7.0486 -3.9567 C 0 0 0 0 0 0 0 0 0 1.9371 6.2444 -3.7166 C 0 0 0 0 0 0 0 0 0 1.6840 5.7838 -2.4383 C 0 0 0 0 0 0 0 0 0 3.4912 2.3311 -0.4152 N 0 0 0 0 0 0 0 0 0 4.6749 9.9483 4.8753 H 0 0 0 0 0 0 0 0 0 2.6094 11.2823 4.9412 H 0 0 0 0 0 0 0 0 0 0.7177 10.6889 3.4817 H 0 0 0 0 0 0 0 0 0 0.1069 7.2356 0.2694 H 0 0 0 0 0 0 0 0 0 -0.1984 9.1539 1.7334 H 0 0 0 0 0 0 0 0 0 6.0384 4.6906 2.2766 H 0 0 0 0 0 0 0 0 0 5.3847 3.4596 1.3384 H 0 0 0 0 0 0 0 0 0 4.2818 7.2090 -0.8263 H 0 0 0 0 0 0 0 0 0 4.7370 8.0235 -3.1053 H 0 0 0 0 0 0 0 0 0 3.2350 7.4063 -4.9561 H 0 0 0 0 0 0 0 0 0 1.2782 5.9738 -4.5284 H 0 0 0 0 0 0 0 0 0 0.8279 5.1525 -2.2514 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 7 8 2 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 6 0 0 0 11 17 1 1 0 0 0 12 16 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 24 3 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > 631583 > K $$$$ 632233 1016 111283D 632233 35 37 0 1 V2000 1.5396 2.0624 3.7205 C 0 0 0 0 0 0 0 0 0 1.3950 1.9772 5.1010 C 0 0 0 0 0 0 0 0 0 2.2184 2.7179 5.9441 C 0 0 0 0 0 0 0 0 0 3.1984 3.5534 5.4187 C 0 0 0 0 0 0 0 0 0 3.3410 3.6374 4.0411 C 0 0 0 0 0 0 0 0 0 2.5189 2.9002 3.2069 C 0 0 0 0 0 0 0 0 0 2.8865 3.1763 1.5676 S 0 0 0 0 0 0 0 0 0 4.1162 4.2664 2.0476 C 0 0 0 0 0 0 0 0 0 4.2394 4.3982 3.3859 N 0 0 0 0 0 0 0 0 0 4.9819 5.0113 1.0773 C 0 0 0 0 0 0 0 0 0 6.0133 4.1063 0.4594 C 0 0 0 0 0 0 0 0 0 5.9809 3.8269 -0.9001 C 0 0 0 0 0 0 0 0 0 6.9362 2.9905 -1.4602 C 0 0 0 0 0 0 0 0 0 7.9355 2.4211 -0.6743 C 0 0 0 0 0 0 0 0 0 7.9718 2.6987 0.6913 C 0 0 0 0 0 0 0 0 0 7.0101 3.5410 1.2452 C 0 0 0 0 0 0 0 0 0 8.9701 2.1167 1.4253 O 0 0 0 0 0 0 0 0 0 9.0220 2.3327 2.8219 C 0 0 0 0 0 0 0 0 0 8.9013 1.5902 -1.1752 O 0 0 0 0 0 0 0 0 0 8.8748 1.2358 -2.5438 C 0 0 0 0 0 0 0 0 0 0.9222 1.5057 3.0789 H 0 0 0 0 0 0 0 0 0 0.6588 1.3492 5.5103 H 0 0 0 0 0 0 0 0 0 2.0990 2.6455 6.9854 H 0 0 0 0 0 0 0 0 0 3.8223 4.1134 6.0510 H 0 0 0 0 0 0 0 0 0 4.3466 5.4397 0.3164 H 0 0 0 0 0 0 0 0 0 5.4845 5.8121 1.5992 H 0 0 0 0 0 0 0 0 0 5.2353 4.2463 -1.5101 H 0 0 0 0 0 0 0 0 0 6.8924 2.7939 -2.4893 H 0 0 0 0 0 0 0 0 0 7.0289 3.7592 2.2711 H 0 0 0 0 0 0 0 0 0 8.1174 1.9802 3.2972 H 0 0 0 0 0 0 0 0 0 9.8581 1.7799 3.2243 H 0 0 0 0 0 0 0 0 0 9.1694 3.3813 3.0376 H 0 0 0 0 0 0 0 0 0 7.9458 0.7430 -2.7931 H 0 0 0 0 0 0 0 0 0 9.0097 2.1100 -3.1645 H 0 0 0 0 0 0 0 0 0 9.6872 0.5503 -2.7356 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 19 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END > 632233 > K $$$$ 632536 1016 111283D 632536 53 55 0 1 V2000 7.5021 -0.2188 -0.5652 C 0 0 0 0 0 0 0 0 0 6.9987 -0.8876 0.6355 N 0 0 0 0 0 0 0 0 0 6.0309 -0.2570 1.5349 C 0 0 0 0 0 0 0 0 0 4.9623 0.5164 0.7467 C 0 0 0 0 0 0 0 0 0 5.5724 1.4250 -0.3244 C 0 0 0 0 0 0 0 0 0 6.3866 0.5539 -1.2816 C 0 0 0 0 0 0 0 0 0 5.3432 -1.3946 2.2985 C 0 0 0 0 0 0 0 0 0 6.7237 0.6328 2.5748 C 0 0 0 0 0 0 0 0 0 8.6887 0.6975 -0.2438 C 0 0 0 0 0 0 0 0 0 8.0018 -1.3212 -1.5061 C 0 0 0 0 0 0 0 0 0 4.7112 3.2332 -1.7991 C 0 0 0 0 0 0 0 0 0 3.6148 3.7754 -2.4599 C 0 0 0 0 0 0 0 0 0 3.7322 4.9520 -3.1887 C 0 0 0 0 0 0 0 0 0 4.9557 5.6072 -3.2861 C 0 0 0 0 0 0 0 0 0 6.0495 5.0710 -2.6179 C 0 0 0 0 0 0 0 0 0 5.9318 3.8956 -1.8866 C 0 0 0 0 0 0 0 0 0 4.5389 2.0741 -1.0930 N 0 0 0 0 0 0 0 0 0 5.1243 6.7584 -4.0062 N 0 0 0 0 0 0 0 0 0 4.3867 7.1361 -5.0953 C 0 0 0 0 0 0 0 0 0 4.2543 8.4924 -5.3715 C 0 0 0 0 0 0 0 0 0 3.5050 8.9266 -6.4578 C 0 0 0 0 0 0 0 0 0 2.8800 8.0024 -7.2840 C 0 0 0 0 0 0 0 0 0 3.0141 6.6454 -7.0246 C 0 0 0 0 0 0 0 0 0 3.7696 6.2173 -5.9404 C 0 0 0 0 0 0 0 0 0 7.7159 -1.3849 1.1276 H 0 0 0 0 0 0 0 0 0 4.3175 -0.1919 0.2460 H 0 0 0 0 0 0 0 0 0 4.3571 1.1048 1.4216 H 0 0 0 0 0 0 0 0 0 6.2021 2.1532 0.1648 H 0 0 0 0 0 0 0 0 0 6.8059 1.1668 -2.0664 H 0 0 0 0 0 0 0 0 0 5.7036 -0.1504 -1.7354 H 0 0 0 0 0 0 0 0 0 6.0724 -1.9585 2.8625 H 0 0 0 0 0 0 0 0 0 4.6037 -0.9996 2.9805 H 0 0 0 0 0 0 0 0 0 4.8564 -2.0629 1.6029 H 0 0 0 0 0 0 0 0 0 7.1858 1.4895 2.1130 H 0 0 0 0 0 0 0 0 0 6.0029 0.9869 3.2981 H 0 0 0 0 0 0 0 0 0 7.4826 0.0656 3.0943 H 0 0 0 0 0 0 0 0 0 9.4540 0.1384 0.2747 H 0 0 0 0 0 0 0 0 0 9.1078 1.0944 -1.1575 H 0 0 0 0 0 0 0 0 0 8.3840 1.5258 0.3742 H 0 0 0 0 0 0 0 0 0 8.7959 -1.8825 -1.0354 H 0 0 0 0 0 0 0 0 0 7.1933 -1.9996 -1.7382 H 0 0 0 0 0 0 0 0 0 8.3732 -0.8935 -2.4265 H 0 0 0 0 0 0 0 0 0 2.6842 3.2915 -2.4085 H 0 0 0 0 0 0 0 0 0 2.8836 5.3446 -3.6652 H 0 0 0 0 0 0 0 0 0 6.9776 5.5588 -2.6685 H 0 0 0 0 0 0 0 0 0 6.7793 3.5143 -1.4014 H 0 0 0 0 0 0 0 0 0 3.6620 1.6555 -1.1114 H 0 0 0 0 0 0 0 0 0 5.8298 7.3612 -3.7195 H 0 0 0 0 0 0 0 0 0 4.7236 9.1971 -4.7508 H 0 0 0 0 0 0 0 0 0 3.4107 9.9542 -6.6540 H 0 0 0 0 0 0 0 0 0 2.3079 8.3283 -8.1027 H 0 0 0 0 0 0 0 0 0 2.5447 5.9421 -7.6483 H 0 0 0 0 0 0 0 0 0 3.8725 5.1877 -5.7660 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 17 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 17 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 M END > 632536 > K $$$$ 632839 1016 111283D 632839 44 46 0 1 V2000 0.2102 -4.2700 -1.3820 C 0 0 0 0 0 0 0 0 0 1.5107 -4.6259 -1.7157 C 0 0 0 0 0 0 0 0 0 2.3015 -3.7645 -2.4648 C 0 0 0 0 0 0 0 0 0 1.8122 -2.5284 -2.8772 C 0 0 0 0 0 0 0 0 0 0.5052 -2.1843 -2.5527 C 0 0 0 0 0 0 0 0 0 -0.2903 -3.0460 -1.8080 C 0 0 0 0 0 0 0 0 0 2.6388 -1.5434 -3.6708 C 0 0 0 0 0 0 0 0 0 3.9716 -1.3832 -3.5882 C 0 0 0 0 0 0 0 0 0 4.6725 -0.5163 -4.5990 C 0 0 0 0 0 0 0 0 0 6.1597 -0.2982 -4.5137 C 0 0 0 0 0 0 0 0 0 6.8870 -0.9598 -3.3691 C 0 0 0 0 0 0 0 0 0 5.9970 -1.2042 -2.2384 N 0 0 0 0 0 0 0 0 0 4.8245 -2.0233 -2.5255 C 0 0 0 0 0 0 0 0 0 6.7560 0.4555 -5.4550 C 0 0 0 0 0 0 0 0 0 4.0367 0.0081 -5.4834 O 0 0 0 0 0 0 0 0 0 8.1812 0.9493 -5.4170 C 0 0 0 0 0 0 0 0 0 8.7416 1.5230 -4.2794 C 0 0 0 0 0 0 0 0 0 10.0658 1.9434 -4.2802 C 0 0 0 0 0 0 0 0 0 10.8412 1.8107 -5.4255 C 0 0 0 0 0 0 0 0 0 10.2786 1.2551 -6.5684 C 0 0 0 0 0 0 0 0 0 8.9559 0.8316 -6.5640 C 0 0 0 0 0 0 0 0 0 -0.6526 -5.1930 -0.5686 C 0 0 0 0 0 0 0 0 0 12.2733 2.2659 -5.4201 C 0 0 0 0 0 0 0 0 0 1.9008 -5.5499 -1.4029 H 0 0 0 0 0 0 0 0 0 3.2731 -4.0665 -2.7159 H 0 0 0 0 0 0 0 0 0 0.1128 -1.2630 -2.8697 H 0 0 0 0 0 0 0 0 0 -1.2741 -2.7675 -1.5676 H 0 0 0 0 0 0 0 0 0 2.1214 -0.9263 -4.3461 H 0 0 0 0 0 0 0 0 0 7.2755 -1.9040 -3.7266 H 0 0 0 0 0 0 0 0 0 7.7200 -0.3735 -3.0199 H 0 0 0 0 0 0 0 0 0 6.5090 -1.5828 -1.4646 H 0 0 0 0 0 0 0 0 0 4.2536 -2.1211 -1.6124 H 0 0 0 0 0 0 0 0 0 5.1446 -3.0011 -2.8567 H 0 0 0 0 0 0 0 0 0 6.1845 0.7266 -6.2946 H 0 0 0 0 0 0 0 0 0 8.1662 1.6467 -3.4096 H 0 0 0 0 0 0 0 0 0 10.4789 2.3636 -3.4100 H 0 0 0 0 0 0 0 0 0 10.8538 1.1532 -7.4411 H 0 0 0 0 0 0 0 0 0 8.5425 0.4166 -7.4355 H 0 0 0 0 0 0 0 0 0 -0.8431 -4.7471 0.3968 H 0 0 0 0 0 0 0 0 0 -1.5921 -5.3553 -1.0763 H 0 0 0 0 0 0 0 0 0 -0.1655 -6.1463 -0.4229 H 0 0 0 0 0 0 0 0 0 12.8439 1.6569 -4.7341 H 0 0 0 0 0 0 0 0 0 12.7058 2.1789 -6.4062 H 0 0 0 0 0 0 0 0 0 12.3263 3.2984 -5.1066 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 15 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END > 632839 > K $$$$ 632841 1016 111283D 632841 44 46 0 1 V2000 5.9209 9.9742 2.1877 C 0 0 0 0 0 0 0 0 0 6.9059 10.1332 2.8712 O 0 0 0 0 0 0 0 0 0 4.6672 9.4102 2.8052 C 0 0 0 0 0 0 0 0 0 3.4604 9.2771 1.9052 C 0 0 0 0 0 0 0 0 0 3.8279 9.1161 0.5186 N 0 0 0 0 0 0 0 0 0 4.6788 10.1332 -0.0555 C 0 0 0 0 0 0 0 0 0 5.9550 10.3360 0.7245 C 0 0 0 0 0 0 0 0 0 7.0976 10.8238 0.2047 C 0 0 0 0 0 0 0 0 0 4.6800 9.0701 4.1079 C 0 0 0 0 0 0 0 0 0 3.5834 8.3237 4.8318 C 0 0 0 0 0 0 0 0 0 2.9386 7.2214 4.2759 C 0 0 0 0 0 0 0 0 0 1.8880 6.6027 4.9417 C 0 0 0 0 0 0 0 0 0 1.4994 7.0576 6.1944 C 0 0 0 0 0 0 0 0 0 2.1723 8.1220 6.7799 C 0 0 0 0 0 0 0 0 0 3.2090 8.7501 6.1009 C 0 0 0 0 0 0 0 0 0 7.3834 11.1117 -1.2524 C 0 0 0 0 0 0 0 0 0 8.0973 12.2669 -1.5502 C 0 0 0 0 0 0 0 0 0 8.3513 12.6262 -2.8676 C 0 0 0 0 0 0 0 0 0 7.8976 11.8251 -3.9067 C 0 0 0 0 0 0 0 0 0 7.2163 10.6500 -3.6206 C 0 0 0 0 0 0 0 0 0 6.9792 10.2869 -2.3001 C 0 0 0 0 0 0 0 0 0 3.4172 8.0715 -0.2724 C 0 0 0 0 0 0 0 0 0 3.8351 8.0293 -1.4048 O 0 0 0 0 0 0 0 0 0 2.4836 6.9633 0.1450 C 0 0 0 0 0 0 0 0 0 2.1344 5.9998 -0.7188 C 0 0 0 0 0 0 0 0 0 2.7873 8.5099 2.2298 H 0 0 0 0 0 0 0 0 0 2.9116 10.2041 1.9872 H 0 0 0 0 0 0 0 0 0 4.8631 9.9265 -1.0932 H 0 0 0 0 0 0 0 0 0 4.1410 11.0693 -0.0227 H 0 0 0 0 0 0 0 0 0 7.8771 11.0348 0.8775 H 0 0 0 0 0 0 0 0 0 5.5206 9.3477 4.6766 H 0 0 0 0 0 0 0 0 0 3.2409 6.8405 3.3453 H 0 0 0 0 0 0 0 0 0 1.3887 5.7911 4.4976 H 0 0 0 0 0 0 0 0 0 0.6993 6.5971 6.6970 H 0 0 0 0 0 0 0 0 0 1.8968 8.4537 7.7379 H 0 0 0 0 0 0 0 0 0 3.7097 9.5559 6.5519 H 0 0 0 0 0 0 0 0 0 8.4477 12.8793 -0.7722 H 0 0 0 0 0 0 0 0 0 8.8864 13.5054 -3.0776 H 0 0 0 0 0 0 0 0 0 8.0695 12.1060 -4.9049 H 0 0 0 0 0 0 0 0 0 6.8805 10.0352 -4.4043 H 0 0 0 0 0 0 0 0 0 6.4933 9.3757 -2.1121 H 0 0 0 0 0 0 0 0 0 2.0932 6.9312 1.1162 H 0 0 0 0 0 0 0 0 0 1.4821 5.2328 -0.4181 H 0 0 0 0 0 0 0 0 0 2.5090 6.0037 -1.7013 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 3 4 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 22 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 8 16 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > 632841 > K $$$$ 633001 1016 111283D 633001 29 30 0 2 V2000 0.3762 2.5437 0.3586 C 0 0 0 0 0 0 0 0 0 -0.0108 1.3284 0.9067 C 0 0 0 0 0 0 0 0 0 0.8746 0.2574 0.9851 C 0 0 0 0 0 0 0 0 0 2.1804 0.4272 0.5303 C 0 0 0 0 0 0 0 0 0 2.5625 1.6426 -0.0275 C 0 0 0 0 0 0 0 0 0 1.6688 2.7002 -0.1182 C 0 0 0 0 0 0 0 0 0 3.4671 -0.8101 0.5984 S 0 0 0 0 0 0 0 0 0 3.4645 -2.0142 1.9179 C 0 0 0 0 0 0 0 0 0 3.9929 -3.2562 1.5823 C 0 0 0 0 0 0 0 0 0 4.0283 -4.2913 2.5057 C 0 0 0 0 0 0 0 0 0 3.5255 -4.0849 3.7813 C 0 0 0 0 0 0 0 0 0 3.0066 -2.8433 4.1221 C 0 0 0 0 0 0 0 0 0 2.9832 -1.7950 3.2067 C 0 0 0 0 0 0 0 0 0 0.3957 -0.9066 1.5105 N 0 3 0 0 0 0 0 0 0 -0.7330 -0.9268 2.0506 O 0 0 0 0 0 0 0 0 0 1.1356 -2.1633 1.4774 O 0 5 0 0 0 0 0 0 0 3.4478 -1.5109 -0.6488 O 0 0 0 0 0 0 0 0 0 4.7314 -0.1416 0.6367 O 0 0 0 0 0 0 0 0 0 2.4826 -0.6027 3.6406 N 0 3 0 0 0 0 0 0 0 1.9205 -0.5337 4.7565 O 0 0 0 0 0 0 0 0 0 2.5674 0.6300 2.8653 O 0 5 0 0 0 0 0 0 0 -0.3060 3.3412 0.3046 H 0 0 0 0 0 0 0 0 0 -0.9920 1.2228 1.2650 H 0 0 0 0 0 0 0 0 0 3.5433 1.7637 -0.3846 H 0 0 0 0 0 0 0 0 0 1.9704 3.6128 -0.5441 H 0 0 0 0 0 0 0 0 0 4.3697 -3.4149 0.6143 H 0 0 0 0 0 0 0 0 0 4.4322 -5.2246 2.2392 H 0 0 0 0 0 0 0 0 0 3.5379 -4.8648 4.4856 H 0 0 0 0 0 0 0 0 0 2.6281 -2.6999 5.0909 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 17 2 0 0 0 0 7 18 2 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 M CHG 4 14 1 16 -1 19 1 21 -1 M END > 633001 > K $$$$ 633209 1016 111283D 633209 30 32 0 1 V2000 -0.1060 -0.8203 1.5788 C 0 0 0 0 0 0 0 0 0 -0.0010 0.2376 0.7512 N 0 0 0 0 0 0 0 0 0 1.2376 0.4895 0.3372 C 0 0 0 0 0 0 0 0 0 2.4038 -0.5780 0.9666 S 0 0 0 0 0 0 0 0 0 1.1418 -1.3853 1.8049 C 0 0 0 0 0 0 0 0 0 -0.8208 1.1516 0.1941 C 0 0 0 0 0 0 0 0 0 -0.0004 1.9518 -0.5873 C 0 0 0 0 0 0 0 0 0 1.2850 1.5425 -0.4943 N 0 0 0 0 0 0 0 0 0 -0.5249 3.2984 -1.5572 Cl 0 0 0 0 0 0 0 0 0 -2.3078 1.3389 0.3304 C 0 0 0 0 0 0 0 0 0 -2.8665 2.0564 -0.4633 O 0 0 0 0 0 0 0 0 0 -5.1470 0.4595 2.3013 N 0 0 0 0 0 0 0 0 0 -4.3935 0.6938 1.1970 C 0 0 0 0 0 0 0 0 0 -4.9185 0.8575 0.1235 O 0 0 0 0 0 0 0 0 0 -3.0461 0.7465 1.3021 N 0 0 0 0 0 0 0 0 0 -8.4412 -0.7079 1.1431 C 0 0 0 0 0 0 0 0 0 -7.0814 -0.4246 1.1440 C 0 0 0 0 0 0 0 0 0 -9.2094 -0.4304 2.2653 C 0 0 0 0 0 0 0 0 0 -8.6111 0.1187 3.3909 C 0 0 0 0 0 0 0 0 0 -7.2502 0.3971 3.3883 C 0 0 0 0 0 0 0 0 0 -10.9163 -0.7694 2.2627 Cl 0 0 0 0 0 0 0 0 0 -6.4752 0.1427 2.2622 C 0 0 0 0 0 0 0 0 0 -0.9987 -1.1792 2.0000 H 0 0 0 0 0 0 0 0 0 1.3024 -2.2190 2.4228 H 0 0 0 0 0 0 0 0 0 -4.7099 0.5306 3.1622 H 0 0 0 0 0 0 0 0 0 -2.6150 0.3617 2.0751 H 0 0 0 0 0 0 0 0 0 -8.8887 -1.1320 0.2927 H 0 0 0 0 0 0 0 0 0 -6.5166 -0.6471 0.2877 H 0 0 0 0 0 0 0 0 0 -9.1891 0.3240 4.2433 H 0 0 0 0 0 0 0 0 0 -6.8051 0.8068 4.2463 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 5 24 1 0 0 0 0 6 10 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 22 1 0 0 0 0 17 28 1 0 0 0 0 18 21 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 22 2 0 0 0 0 20 30 1 0 0 0 0 M END > 633209 > K $$$$ 634224 1016 111283D 634224 31 34 0 2 V2000 0.9204 0.8853 1.3656 C 0 0 0 0 0 0 0 0 0 0.4963 -0.2678 0.7161 C 0 0 0 0 0 0 0 0 0 0.7831 -0.4625 -0.6176 C 0 0 0 0 0 0 0 0 0 1.5012 0.4956 -1.3272 C 0 0 0 0 0 0 0 0 0 1.9283 1.6464 -0.6923 C 0 3 0 0 0 0 0 0 0 1.6374 1.8488 0.6692 C 0 3 0 0 0 0 0 0 0 2.2111 3.1504 1.0792 C 0 0 0 0 0 0 0 0 0 2.8393 3.7335 -0.0042 C 0 0 0 0 0 0 0 0 0 2.1324 3.6832 2.3157 O 0 0 0 0 0 0 0 0 0 2.6966 2.8328 -1.1601 C 0 3 0 0 0 0 0 0 0 3.1251 3.0212 -2.2812 O 0 0 0 0 0 0 0 0 0 3.5326 5.0347 -0.0034 C 0 0 0 0 0 0 0 0 0 4.4124 5.3599 1.0503 C 0 0 0 0 0 0 0 0 0 3.3298 5.8899 -0.9952 N 0 0 0 0 0 0 0 0 0 3.9608 7.0692 -0.9904 C 0 0 0 0 0 0 0 0 0 4.8390 7.3920 0.0744 C 0 0 0 0 0 0 0 0 0 5.0359 6.5121 1.0656 N 0 0 0 0 0 0 0 0 0 3.7668 7.9972 -2.0285 C 0 0 0 0 0 0 0 0 0 4.4220 9.1900 -1.9988 C 0 0 0 0 0 0 0 0 0 5.2852 9.5070 -0.9520 C 0 0 0 0 0 0 0 0 0 5.4973 8.6327 0.0702 C 0 0 0 0 0 0 0 0 0 0.6884 1.0339 2.4098 H 0 0 0 0 0 0 0 0 0 -0.0611 -1.0161 1.2601 H 0 0 0 0 0 0 0 0 0 0.4498 -1.3619 -1.1140 H 0 0 0 0 0 0 0 0 0 1.7246 0.3397 -2.3723 H 0 0 0 0 0 0 0 0 0 2.5369 4.5423 2.4987 H 0 0 0 0 0 0 0 0 0 4.5730 4.6535 1.8513 H 0 0 0 0 0 0 0 0 0 3.1009 7.7646 -2.8463 H 0 0 0 0 0 0 0 0 0 4.2710 9.9005 -2.7980 H 0 0 0 0 0 0 0 0 0 5.7934 10.4600 -0.9513 H 0 0 0 0 0 0 0 0 0 6.1690 8.8926 0.8750 H 0 0 0 0 0 0 0 0 0 1 6 4 0 0 0 0 1 2 4 0 0 0 0 1 22 1 0 0 0 0 2 3 4 0 0 0 0 2 23 1 0 0 0 0 3 4 4 0 0 0 0 3 24 1 0 0 0 0 4 5 4 0 0 0 0 4 25 1 0 0 0 0 5 10 4 0 0 0 0 5 6 4 0 0 0 0 6 7 4 0 0 0 0 7 9 1 0 0 0 0 7 8 4 0 0 0 0 8 12 1 0 0 0 0 8 10 4 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M CHG 3 5 1 6 1 10 1 M END > 634224 > K $$$$ 634396 1016 111283D 634396 38 40 1 1 V2000 0.2965 3.6600 -3.1687 C 0 0 0 0 0 0 0 0 0 -0.0162 2.4845 -3.8361 C 0 0 0 0 0 0 0 0 0 0.5133 1.2815 -3.3901 C 0 0 0 0 0 0 0 0 0 1.3415 1.2571 -2.2748 C 0 0 0 0 0 0 0 0 0 1.6494 2.4261 -1.5862 C 0 0 0 0 0 0 0 0 0 1.1279 3.6284 -2.0573 C 0 0 0 0 0 0 0 0 0 1.5008 5.1702 -1.2680 S 0 0 0 0 0 0 0 0 0 2.0856 4.6872 0.3777 C 0 0 1 0 0 0 0 0 0 2.7096 3.3225 0.4137 C 0 0 0 0 0 0 0 0 0 2.4518 2.3309 -0.4820 N 0 0 0 0 0 0 0 0 0 2.9878 5.8135 0.8824 C 0 0 0 0 0 0 0 0 0 2.0826 6.9961 1.0600 C 0 0 0 0 0 0 0 0 0 2.2746 8.1910 0.4331 N 0 0 0 0 0 0 0 0 0 1.2905 9.1408 0.3211 C 0 0 0 0 0 0 0 0 0 -0.0503 8.7665 0.3895 C 0 0 0 0 0 0 0 0 0 -1.0674 9.7054 0.3021 C 0 0 0 0 0 0 0 0 0 -0.7506 11.0431 0.1269 C 0 0 0 0 0 0 0 0 0 0.5787 11.4312 0.0373 C 0 0 0 0 0 0 0 0 0 1.6015 10.4895 0.1356 C 0 0 0 0 0 0 0 0 0 3.0342 10.9471 0.0397 C 0 0 0 0 0 0 0 0 0 1.1416 6.8515 1.8016 O 0 0 0 0 0 0 0 0 0 3.4902 3.0700 1.2993 O 0 0 0 0 0 0 0 0 0 0.9086 13.1263 -0.1993 Cl 0 0 0 0 0 0 0 0 0 -0.0957 4.5759 -3.5022 H 0 0 0 0 0 0 0 0 0 -0.6499 2.5072 -4.6739 H 0 0 0 0 0 0 0 0 0 0.2868 0.3895 -3.8966 H 0 0 0 0 0 0 0 0 0 1.7383 0.3410 -1.9487 H 0 0 0 0 0 0 0 0 0 1.2272 4.6044 1.0282 H 0 0 0 0 0 0 0 0 0 2.8873 1.4830 -0.3005 H 0 0 0 0 0 0 0 0 0 3.4235 5.5562 1.8365 H 0 0 0 0 0 0 0 0 0 3.7700 6.0264 0.1687 H 0 0 0 0 0 0 0 0 0 3.1493 8.3660 0.0552 H 0 0 0 0 0 0 0 0 0 -0.3151 7.7582 0.5070 H 0 0 0 0 0 0 0 0 0 -2.0711 9.4022 0.3680 H 0 0 0 0 0 0 0 0 0 -1.5151 11.7604 0.0615 H 0 0 0 0 0 0 0 0 0 3.3825 10.7981 -0.9719 H 0 0 0 0 0 0 0 0 0 3.1303 11.9935 0.2871 H 0 0 0 0 0 0 0 0 0 3.6604 10.3918 0.7212 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 6 0 0 0 8 28 1 1 0 0 0 9 22 2 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 21 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 19 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 23 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 M END > 634396 > K $$$$ 634471 1016 111283D 634471 26 26 0 1 V2000 8.1992 1.1653 -3.1907 C 0 0 0 0 0 0 0 0 0 7.8734 0.8166 -4.6145 C 0 0 0 0 0 0 0 0 0 9.1176 0.8344 -5.8326 Cl 0 0 0 0 0 0 0 0 0 6.6092 0.4952 -4.9130 C 0 0 0 0 0 0 0 0 0 6.1271 0.0751 -6.5336 Cl 0 0 0 0 0 0 0 0 0 5.6219 0.5132 -3.7870 C 0 0 0 0 0 0 0 0 0 4.4594 0.2340 -3.9636 O 0 0 0 0 0 0 0 0 0 6.0755 0.8545 -2.5439 N 0 0 0 0 0 0 0 0 0 7.2916 1.1511 -2.3228 N 0 0 0 0 0 0 0 0 0 5.1540 0.8881 -1.4425 C 0 0 0 0 0 0 0 0 0 4.3300 2.1713 -1.5117 C 0 0 0 0 0 0 0 0 0 5.2585 3.3439 -1.5237 C 0 0 0 0 0 0 0 0 0 5.6443 3.8159 -0.4803 O 0 0 0 0 0 0 0 0 0 5.6515 3.8500 -2.7224 O 0 0 0 0 0 0 0 0 0 6.7981 4.6670 -2.6272 C 0 0 0 0 0 0 0 0 0 7.2274 4.9860 -4.0534 C 0 0 0 0 0 0 0 0 0 9.1816 1.4195 -2.9223 H 0 0 0 0 0 0 0 0 0 4.4946 0.0318 -1.4828 H 0 0 0 0 0 0 0 0 0 5.6974 0.8580 -0.5078 H 0 0 0 0 0 0 0 0 0 3.7542 2.1805 -2.4251 H 0 0 0 0 0 0 0 0 0 3.6658 2.2329 -0.6635 H 0 0 0 0 0 0 0 0 0 6.5766 5.5847 -2.0983 H 0 0 0 0 0 0 0 0 0 7.5997 4.1439 -2.1225 H 0 0 0 0 0 0 0 0 0 6.4306 5.5120 -4.5585 H 0 0 0 0 0 0 0 0 0 8.1160 5.5997 -4.0438 H 0 0 0 0 0 0 0 0 0 7.4309 4.0638 -4.5778 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M END > 634471 > K $$$$ 634473 1016 111283D 634473 47 49 1 1 V2000 2.0029 6.0322 2.6649 C 0 0 0 0 0 0 0 0 0 2.0898 7.0432 3.3299 O 0 0 0 0 0 0 0 0 0 1.3375 4.8047 3.2127 C 0 0 1 0 0 0 0 0 0 0.7584 3.9967 2.0447 C 0 0 1 0 0 0 0 0 0 2.4202 4.9149 0.5657 C 0 0 0 0 0 0 0 0 0 2.5487 6.0262 1.3250 C 0 0 0 0 0 0 0 0 0 1.7795 3.8159 1.0480 O 0 0 0 0 0 0 0 0 0 2.9910 4.9078 -0.8116 C 0 0 0 0 0 0 0 0 0 2.8905 3.9134 -1.5007 O 0 0 0 0 0 0 0 0 0 3.6186 6.0096 -1.2892 O 0 0 0 0 0 0 0 0 0 4.1838 5.9832 -2.6093 C 0 0 0 0 0 0 0 0 0 0.2965 2.6509 2.5487 C 0 0 0 0 0 0 0 0 0 1.1221 1.5408 2.4207 C 0 0 0 0 0 0 0 0 0 0.6951 0.3053 2.8819 C 0 0 0 0 0 0 0 0 0 -0.5522 0.1791 3.4770 C 0 0 0 0 0 0 0 0 0 -1.3747 1.2884 3.6077 C 0 0 0 0 0 0 0 0 0 -0.9472 2.5261 3.1507 C 0 0 0 0 0 0 0 0 0 2.3525 3.9690 3.9456 C 0 0 0 0 0 0 0 0 0 3.5059 3.9465 3.5746 O 0 0 0 0 0 0 0 0 0 1.9825 3.2372 5.0234 N 0 0 0 0 0 0 0 0 0 2.8796 2.3660 5.6215 C 0 0 0 0 0 0 0 0 0 2.9919 2.3239 7.0082 C 0 0 0 0 0 0 0 0 0 3.8902 1.4538 7.6058 C 0 0 0 0 0 0 0 0 0 4.6808 0.6207 6.8173 C 0 0 0 0 0 0 0 0 0 5.5643 -0.2355 7.4064 O 0 0 0 0 0 0 0 0 0 6.3912 -1.0824 6.5891 C 0 0 0 0 0 0 0 0 0 4.5679 0.6639 5.4314 C 0 0 0 0 0 0 0 0 0 3.6666 1.5298 4.8370 C 0 0 0 0 0 0 0 0 0 0.5443 5.0990 3.8903 H 0 0 0 0 0 0 0 0 0 -0.0899 4.5296 1.6180 H 0 0 0 0 0 0 0 0 0 3.0419 6.8893 0.9559 H 0 0 0 0 0 0 0 0 0 4.9425 5.2071 -2.6760 H 0 0 0 0 0 0 0 0 0 3.4067 5.7909 -3.3452 H 0 0 0 0 0 0 0 0 0 4.6442 6.9482 -2.8240 H 0 0 0 0 0 0 0 0 0 2.0807 1.6394 1.9611 H 0 0 0 0 0 0 0 0 0 1.3282 -0.5488 2.7816 H 0 0 0 0 0 0 0 0 0 -0.8799 -0.7731 3.8332 H 0 0 0 0 0 0 0 0 0 -2.3346 1.1915 4.0652 H 0 0 0 0 0 0 0 0 0 -1.5789 3.3820 3.2522 H 0 0 0 0 0 0 0 0 0 1.0813 3.3294 5.3749 H 0 0 0 0 0 0 0 0 0 2.3869 2.9644 7.6138 H 0 0 0 0 0 0 0 0 0 3.9769 1.4225 8.6716 H 0 0 0 0 0 0 0 0 0 7.0287 -1.6935 7.2247 H 0 0 0 0 0 0 0 0 0 5.7677 -1.7340 5.9796 H 0 0 0 0 0 0 0 0 0 7.0168 -0.4743 5.9381 H 0 0 0 0 0 0 0 0 0 5.1747 0.0244 4.8289 H 0 0 0 0 0 0 0 0 0 3.5812 1.5554 3.7721 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 3 18 1 1 0 0 0 3 4 1 6 0 0 0 3 29 1 0 0 0 0 4 7 1 1 0 0 0 4 12 1 0 0 0 0 4 30 1 6 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 6 31 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END > 634473 > K $$$$ 634503 1016 111283D 634503 48 50 1 1 V2000 8.2339 7.7235 -12.4388 C 0 0 0 0 0 0 0 0 0 7.1292 7.7230 -13.2849 C 0 0 0 0 0 0 0 0 0 6.2099 6.6803 -13.2403 C 0 0 0 0 0 0 0 0 0 6.3839 5.6263 -12.3486 C 0 0 0 0 0 0 0 0 0 7.4869 5.6265 -11.5009 C 0 0 0 0 0 0 0 0 0 8.4076 6.6715 -11.5452 C 0 0 0 0 0 0 0 0 0 9.5796 6.6505 -10.6277 C 0 0 0 0 0 0 0 0 0 10.5036 7.4097 -10.7896 O 0 0 0 0 0 0 0 0 0 9.5899 5.6758 -9.5071 C 0 0 0 0 0 0 0 0 0 8.7053 4.6714 -9.4622 C 0 0 0 0 0 0 0 0 0 7.6946 4.5102 -10.5385 C 0 0 0 0 0 0 0 0 0 7.0539 3.4912 -10.6265 O 0 0 0 0 0 0 0 0 0 10.7657 5.8469 -8.2402 Cl 0 0 0 0 0 0 0 0 0 8.7278 3.7015 -8.3139 C 0 0 1 0 0 0 0 0 0 10.0699 3.1114 -8.2086 C 0 0 0 0 0 0 0 0 0 11.1276 2.6398 -8.1418 N 0 0 0 0 0 0 0 0 0 8.3886 4.4116 -7.0424 C 0 0 0 0 0 0 0 0 0 7.9477 5.5369 -7.0785 O 0 0 0 0 0 0 0 0 0 8.5717 3.8001 -5.8476 N 0 0 0 0 0 0 0 0 0 8.2581 4.4564 -4.6730 C 0 0 0 0 0 0 0 0 0 8.9405 5.7497 -2.7550 C 0 0 0 0 0 0 0 0 0 7.6251 5.7807 -2.3091 C 0 0 0 0 0 0 0 0 0 6.6251 5.1516 -3.0399 C 0 0 0 0 0 0 0 0 0 6.9421 4.4912 -4.2197 C 0 0 0 0 0 0 0 0 0 9.2554 5.0879 -3.9347 C 0 0 0 0 0 0 0 0 0 5.8571 3.8090 -5.0082 C 0 0 0 0 0 0 0 0 0 5.8440 2.3155 -4.6706 C 0 0 0 0 0 0 0 0 0 10.6813 5.0542 -4.4139 C 0 0 0 0 0 0 0 0 0 11.3530 3.7688 -3.9227 C 0 0 0 0 0 0 0 0 0 8.9391 8.5271 -12.4796 H 0 0 0 0 0 0 0 0 0 6.9849 8.5264 -13.9738 H 0 0 0 0 0 0 0 0 0 5.3662 6.6907 -13.8953 H 0 0 0 0 0 0 0 0 0 5.6730 4.8274 -12.3187 H 0 0 0 0 0 0 0 0 0 8.0071 2.9031 -8.4998 H 0 0 0 0 0 0 0 0 0 8.9278 2.8944 -5.8256 H 0 0 0 0 0 0 0 0 0 9.7069 6.2347 -2.1919 H 0 0 0 0 0 0 0 0 0 7.3820 6.2895 -1.4026 H 0 0 0 0 0 0 0 0 0 5.6150 5.1775 -2.6950 H 0 0 0 0 0 0 0 0 0 4.8937 4.2460 -4.7562 H 0 0 0 0 0 0 0 0 0 6.0470 3.9382 -6.0714 H 0 0 0 0 0 0 0 0 0 5.6540 2.1861 -3.6071 H 0 0 0 0 0 0 0 0 0 5.0608 1.8222 -5.2420 H 0 0 0 0 0 0 0 0 0 6.8078 1.8781 -4.9227 H 0 0 0 0 0 0 0 0 0 10.6980 5.0788 -5.5013 H 0 0 0 0 0 0 0 0 0 11.2179 5.9157 -4.0231 H 0 0 0 0 0 0 0 0 0 11.3364 3.7440 -2.8350 H 0 0 0 0 0 0 0 0 0 10.8164 2.9069 -4.3136 H 0 0 0 0 0 0 0 0 0 12.3834 3.7432 -4.2706 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 13 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 14 17 1 6 0 0 0 14 15 1 1 0 0 0 14 34 1 0 0 0 0 15 16 3 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 25 2 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END > 634503 > K $$$$ 634568 1016 111283D 634568 36 40 0 1 V2000 -0.0163 1.3538 0.0095 C 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 0 0 0 0 0 0 0 0 1.1434 -0.7004 0.0812 C 0 0 0 0 0 0 0 0 0 2.3686 -0.1334 0.1951 N 0 0 0 0 0 0 0 0 0 2.4660 1.2270 0.0062 C 0 0 0 0 0 0 0 0 0 1.2985 2.0022 0.0004 C 0 0 0 0 0 0 0 0 0 -1.0559 1.9875 0.0277 O 0 0 0 0 0 0 0 0 0 1.0786 -1.9138 0.0487 O 0 0 0 0 0 0 0 0 0 -1.2666 -0.7287 -0.0947 C 0 0 0 0 0 0 0 0 0 3.5203 -0.9550 0.5776 C 0 0 0 0 0 0 0 0 0 1.6724 3.2896 0.0510 N 0 0 0 0 0 0 0 0 0 2.9685 3.3394 -0.0556 C 0 0 0 0 0 0 0 0 0 3.5073 2.0759 -0.2554 N 0 0 0 0 0 0 0 0 0 4.4030 4.3913 -0.0057 S 0 0 0 0 0 0 0 0 0 5.5799 3.1871 -0.5359 C 0 0 0 0 0 0 0 0 0 4.8333 2.0327 -0.6661 C 0 0 0 0 0 0 0 0 0 5.4941 0.8755 -1.3252 C 0 0 0 0 0 0 0 0 0 4.8516 -0.0389 -1.8000 O 0 0 0 0 0 0 0 0 0 6.9764 0.8721 -1.4099 C 0 0 0 0 0 0 0 0 0 7.7203 2.0420 -1.1807 C 0 0 0 0 0 0 0 0 0 7.0178 3.2955 -0.7891 C 0 0 0 0 0 0 0 0 0 7.6069 4.3531 -0.6851 O 0 0 0 0 0 0 0 0 0 9.1039 2.0246 -1.3021 C 0 0 0 0 0 0 0 0 0 9.7519 0.8426 -1.6246 C 0 0 0 0 0 0 0 0 0 9.0258 -0.3155 -1.8273 C 0 0 0 0 0 0 0 0 0 7.6447 -0.3084 -1.7241 C 0 0 0 0 0 0 0 0 0 -2.0891 -0.0155 -0.1497 H 0 0 0 0 0 0 0 0 0 -1.2633 -1.3492 -0.9908 H 0 0 0 0 0 0 0 0 0 -1.3920 -1.3607 0.7845 H 0 0 0 0 0 0 0 0 0 3.1980 -1.9855 0.7268 H 0 0 0 0 0 0 0 0 0 4.2703 -0.9197 -0.2126 H 0 0 0 0 0 0 0 0 0 3.9493 -0.5709 1.5031 H 0 0 0 0 0 0 0 0 0 9.6748 2.9281 -1.1475 H 0 0 0 0 0 0 0 0 0 10.8279 0.8270 -1.7172 H 0 0 0 0 0 0 0 0 0 9.5399 -1.2346 -2.0663 H 0 0 0 0 0 0 0 0 0 7.0888 -1.2196 -1.8875 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 25 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 M END > 634568 > K $$$$ 634650 1016 111283D 634650 31 33 1 1 V2000 1.0558 4.5577 4.1510 C 0 0 0 0 0 0 0 0 0 0.6107 4.0376 5.3592 C 0 0 0 0 0 0 0 0 0 1.5252 3.5650 6.2910 C 0 0 0 0 0 0 0 0 0 2.8851 3.6071 6.0130 C 0 0 0 0 0 0 0 0 0 3.3339 4.1249 4.8034 C 0 0 0 0 0 0 0 0 0 4.6930 4.1664 4.5173 C 0 0 0 0 0 0 0 0 0 5.1337 4.6883 3.3089 C 0 0 0 0 0 0 0 0 0 4.2247 5.1708 2.3753 C 0 0 0 0 0 0 0 0 0 2.8646 5.1331 2.6650 C 0 0 0 0 0 0 0 0 0 2.4166 4.6066 3.8709 C 0 0 0 0 0 0 0 0 0 4.7541 5.7181 1.0770 C 0 0 0 0 0 0 0 0 0 5.9467 5.7270 0.8816 O 0 0 0 0 0 0 0 0 0 3.8720 6.2683 -0.0050 C 0 0 0 0 0 0 0 0 0 3.6641 7.7621 0.2328 C 0 0 1 0 0 0 0 0 0 2.9980 7.9499 1.4756 O 0 0 0 0 0 0 0 0 0 3.8256 8.7034 2.2495 C 0 0 0 0 0 0 0 0 0 3.5687 9.0500 3.3765 O 0 0 0 0 0 0 0 0 0 5.0801 9.0465 1.5401 C 0 0 0 0 0 0 0 0 0 4.9778 8.4871 0.3382 C 0 0 0 0 0 0 0 0 0 0.3578 4.9139 3.4510 H 0 0 0 0 0 0 0 0 0 -0.4181 4.0025 5.5682 H 0 0 0 0 0 0 0 0 0 1.1884 3.1747 7.2061 H 0 0 0 0 0 0 0 0 0 3.5715 3.2462 6.7219 H 0 0 0 0 0 0 0 0 0 5.3930 3.8037 5.2117 H 0 0 0 0 0 0 0 0 0 6.1634 4.7179 3.1006 H 0 0 0 0 0 0 0 0 0 2.1650 5.5023 1.9750 H 0 0 0 0 0 0 0 0 0 4.3590 6.1226 -0.9576 H 0 0 0 0 0 0 0 0 0 2.9193 5.7622 -0.0222 H 0 0 0 0 0 0 0 0 0 3.0699 8.1877 -0.5644 H 0 0 0 0 0 0 0 0 0 5.8794 9.6134 1.9144 H 0 0 0 0 0 0 0 0 0 5.7029 8.5399 -0.4198 H 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 2 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 1 0 0 0 14 19 1 0 0 0 0 14 29 1 6 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > 634650 > K $$$$ 634658 1016 111283D 634658 40 41 0 2 V2000 4.2503 2.9815 -2.1448 C 0 0 0 0 0 0 0 0 0 4.6242 2.8268 -3.4733 C 0 0 0 0 0 0 0 0 0 2.3235 2.4747 -4.0732 C 0 0 0 0 0 0 0 0 0 1.9547 2.6292 -2.7426 C 0 0 0 0 0 0 0 0 0 2.9144 2.8933 -1.7702 C 0 0 0 0 0 0 0 0 0 3.6591 2.5764 -4.4404 C 0 0 0 0 0 0 0 0 0 6.3301 2.7931 -4.9766 O 0 0 0 0 0 0 0 0 0 5.9375 2.9259 -3.7962 N 0 3 0 0 0 0 0 0 0 6.8996 3.1932 -2.7332 O 0 5 0 0 0 0 0 0 0 2.5497 3.0774 -0.3188 C 0 0 0 0 0 0 0 0 0 1.4201 3.6355 0.1540 C 0 0 0 0 0 0 0 0 0 1.0655 3.4514 1.5993 C 0 0 0 0 0 0 0 0 0 0.3359 4.2558 2.1261 O 0 0 0 0 0 0 0 0 0 1.5386 2.4050 2.3299 N 0 0 0 0 0 0 0 0 0 1.6043 2.4216 3.6933 C 0 0 0 0 0 0 0 0 0 1.7583 3.6252 4.3755 C 0 0 0 0 0 0 0 0 0 1.8338 3.6524 5.7608 C 0 0 0 0 0 0 0 0 0 1.7595 2.4667 6.4772 C 0 0 0 0 0 0 0 0 0 1.6040 1.2617 5.8054 C 0 0 0 0 0 0 0 0 0 1.5215 1.2336 4.4172 C 0 0 0 0 0 0 0 0 0 1.3400 -0.0856 3.7163 C 0 0 0 0 0 0 0 0 0 0.4420 4.4636 -0.6353 C 0 0 0 0 0 0 0 0 0 -0.7280 4.4324 -0.3377 O 0 0 0 0 0 0 0 0 0 0.8420 5.3428 -1.7804 C 0 0 0 0 0 0 0 0 0 4.9921 3.1692 -1.4235 H 0 0 0 0 0 0 0 0 0 1.5913 2.2802 -4.8020 H 0 0 0 0 0 0 0 0 0 0.9414 2.5410 -2.4781 H 0 0 0 0 0 0 0 0 0 3.9380 2.4641 -5.4469 H 0 0 0 0 0 0 0 0 0 3.2500 2.7317 0.3850 H 0 0 0 0 0 0 0 0 0 1.8361 1.6145 1.8564 H 0 0 0 0 0 0 0 0 0 1.8214 4.5277 3.8428 H 0 0 0 0 0 0 0 0 0 1.9472 4.5680 6.2634 H 0 0 0 0 0 0 0 0 0 1.8207 2.4823 7.5255 H 0 0 0 0 0 0 0 0 0 1.5480 0.3687 6.3555 H 0 0 0 0 0 0 0 0 0 2.2476 -0.3378 3.1878 H 0 0 0 0 0 0 0 0 0 1.1164 -0.8726 4.4218 H 0 0 0 0 0 0 0 0 0 0.5239 -0.0134 3.0118 H 0 0 0 0 0 0 0 0 0 1.8949 5.5746 -1.7260 H 0 0 0 0 0 0 0 0 0 0.6107 4.8602 -2.7166 H 0 0 0 0 0 0 0 0 0 0.2741 6.2597 -1.7179 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 25 1 0 0 0 0 2 8 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 2 8 1 9 -1 M END > 634658 > K $$$$ 634863 1016 111283D 634863 30 31 0 1 V2000 -0.5252 1.7653 0.6474 S 0 0 0 0 0 0 0 0 0 -0.5914 -0.0384 0.6051 C 0 0 0 0 0 0 0 0 0 -0.4581 -0.4734 -1.1452 S 0 0 0 0 0 0 0 0 0 -1.2053 0.6185 -2.0572 O 0 0 0 0 0 0 0 0 0 -0.3052 1.5803 -2.5760 C 0 0 0 0 0 0 0 0 0 -0.0158 2.7280 -1.6050 C 0 0 0 0 0 0 0 0 0 0.5751 2.3066 -0.3897 O 0 0 0 0 0 0 0 0 0 0.5623 -0.6133 1.4237 C 0 0 0 0 0 0 0 0 0 0.6022 -2.1139 1.3471 C 0 0 0 0 0 0 0 0 0 1.6294 -2.7551 0.6634 C 0 0 0 0 0 0 0 0 0 1.6631 -4.1417 0.5942 C 0 0 0 0 0 0 0 0 0 0.6679 -4.8925 1.2059 C 0 0 0 0 0 0 0 0 0 -0.3598 -4.2553 1.8884 C 0 0 0 0 0 0 0 0 0 -0.3911 -2.8689 1.9605 C 0 0 0 0 0 0 0 0 0 0.9200 -0.5636 -1.5157 O 0 0 0 0 0 0 0 0 0 -1.0725 -1.7468 -1.3531 O 0 0 0 0 0 0 0 0 0 -1.8133 2.3019 0.3366 O 0 0 0 0 0 0 0 0 0 -0.1643 2.1795 1.9668 O 0 0 0 0 0 0 0 0 0 -1.5466 -0.3559 0.9912 H 0 0 0 0 0 0 0 0 0 0.6292 1.1309 -2.8813 H 0 0 0 0 0 0 0 0 0 -0.7594 2.0065 -3.4588 H 0 0 0 0 0 0 0 0 0 0.6804 3.3981 -2.0881 H 0 0 0 0 0 0 0 0 0 -0.9279 3.2816 -1.4313 H 0 0 0 0 0 0 0 0 0 1.4887 -0.1963 1.0548 H 0 0 0 0 0 0 0 0 0 0.4443 -0.3153 2.4557 H 0 0 0 0 0 0 0 0 0 2.3860 -2.1950 0.1960 H 0 0 0 0 0 0 0 0 0 2.4416 -4.6234 0.0789 H 0 0 0 0 0 0 0 0 0 0.6923 -5.9413 1.1522 H 0 0 0 0 0 0 0 0 0 -1.1139 -4.8221 2.3506 H 0 0 0 0 0 0 0 0 0 -1.1703 -2.3953 2.4821 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 17 2 0 0 0 0 1 18 2 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 15 2 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 M END > 634863 > K $$$$ 634926 1016 111283D 634926 53 58 1 1 V2000 0.9888 1.0633 2.3496 C 0 0 1 0 0 0 0 0 0 0.1257 -0.1091 1.9185 C 0 0 0 0 0 0 0 0 0 0.2195 -0.4721 0.4581 C 0 0 0 0 0 0 0 0 0 0.6671 0.1703 -0.5279 N 0 0 0 0 0 0 0 0 0 1.3776 1.3128 -0.7662 C 0 0 0 0 0 0 0 0 0 1.3609 2.4644 0.0125 C 0 0 0 0 0 0 0 0 0 0.3938 2.5380 1.4858 S 0 0 0 0 0 0 0 0 0 2.1011 3.5839 -0.3473 C 0 0 0 0 0 0 0 0 0 2.8752 3.5662 -1.4989 C 0 0 0 0 0 0 0 0 0 2.9128 2.4178 -2.2772 C 0 0 0 0 0 0 0 0 0 2.1753 1.3007 -1.9042 C 0 0 0 0 0 0 0 0 0 -0.9174 2.1894 1.0348 O 0 0 0 0 0 0 0 0 0 0.9311 1.2215 3.8485 C 0 0 0 0 0 0 0 0 0 1.8444 0.5774 4.6848 C 0 0 0 0 0 0 0 0 0 1.7678 0.7679 6.0661 C 0 0 0 0 0 0 0 0 0 0.7804 1.5863 6.6052 C 0 0 0 0 0 0 0 0 0 -0.1339 2.2175 5.7741 C 0 0 0 0 0 0 0 0 0 -0.0585 2.0281 4.4028 C 0 0 0 0 0 0 0 0 0 2.8408 -0.2565 4.1795 C 0 0 0 0 0 0 0 0 0 3.7528 -0.8791 5.0180 C 0 0 0 0 0 0 0 0 0 3.6717 -0.6821 6.3880 C 0 0 0 0 0 0 0 0 0 2.6795 0.1390 6.9087 C 0 0 0 0 0 0 0 0 0 -0.3139 -1.8204 0.0886 C 0 0 0 0 0 0 0 0 0 0.3282 -2.9537 0.5737 C 0 0 0 0 0 0 0 0 0 -0.1361 -4.2171 0.2384 C 0 0 0 0 0 0 0 0 0 -1.2487 -4.3429 -0.5821 C 0 0 0 0 0 0 0 0 0 -1.8967 -3.2111 -1.0643 C 0 0 0 0 0 0 0 0 0 -1.4330 -1.9399 -0.7297 C 0 0 0 0 0 0 0 0 0 -2.0998 -0.8183 -1.2162 C 0 0 0 0 0 0 0 0 0 -3.2129 -0.9559 -2.0323 C 0 0 0 0 0 0 0 0 0 -3.6704 -2.2225 -2.3662 C 0 0 0 0 0 0 0 0 0 -3.0116 -3.3456 -1.8831 C 0 0 0 0 0 0 0 0 0 2.0020 0.8906 2.0241 H 0 0 0 0 0 0 0 0 0 0.3482 -0.9703 2.5327 H 0 0 0 0 0 0 0 0 0 -0.9080 0.1384 2.1223 H 0 0 0 0 0 0 0 0 0 2.0747 4.4462 0.2520 H 0 0 0 0 0 0 0 0 0 3.4283 4.4150 -1.7798 H 0 0 0 0 0 0 0 0 0 3.4982 2.3937 -3.1486 H 0 0 0 0 0 0 0 0 0 2.2183 0.4303 -2.4902 H 0 0 0 0 0 0 0 0 0 0.7188 1.7334 7.6439 H 0 0 0 0 0 0 0 0 0 -0.8824 2.8375 6.1762 H 0 0 0 0 0 0 0 0 0 -0.7637 2.5078 3.7894 H 0 0 0 0 0 0 0 0 0 2.9311 -0.4386 3.1523 H 0 0 0 0 0 0 0 0 0 4.4997 -1.4963 4.6093 H 0 0 0 0 0 0 0 0 0 4.3610 -1.1555 7.0240 H 0 0 0 0 0 0 0 0 0 2.6234 0.2824 7.9481 H 0 0 0 0 0 0 0 0 0 1.1701 -2.8575 1.1940 H 0 0 0 0 0 0 0 0 0 0.3536 -5.0722 0.6041 H 0 0 0 0 0 0 0 0 0 -1.5999 -5.2992 -0.8374 H 0 0 0 0 0 0 0 0 0 -1.7706 0.1484 -0.9725 H 0 0 0 0 0 0 0 0 0 -3.7053 -0.1013 -2.3940 H 0 0 0 0 0 0 0 0 0 -4.5139 -2.3284 -2.9833 H 0 0 0 0 0 0 0 0 0 -3.3610 -4.3014 -2.1395 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 6 0 0 0 1 2 1 0 0 0 0 1 33 1 1 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 28 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M END > 634926 > K $$$$ 634928 1016 111283D 634928 64 67 0 1 V2000 -14.8165 2.5150 6.9646 C 0 0 0 0 0 0 0 0 0 -15.7859 3.2824 6.3406 C 0 0 0 0 0 0 0 0 0 -16.6602 2.6924 5.4382 C 0 0 0 0 0 0 0 0 0 -16.5644 1.3353 5.1649 C 0 0 0 0 0 0 0 0 0 -15.5942 0.5707 5.7905 C 0 0 0 0 0 0 0 0 0 -14.7217 1.1603 6.6899 C 0 0 0 0 0 0 0 0 0 -17.5132 0.6934 4.1873 C 0 0 0 0 0 0 0 0 0 -16.7889 0.4175 2.9025 C 0 0 0 0 0 0 0 0 0 -16.3922 -0.8143 2.5626 C 0 0 0 0 0 0 0 0 0 -17.6026 -1.7819 4.3741 C 0 0 0 0 0 0 0 0 0 -18.0410 -0.5827 4.7747 C 0 0 0 0 0 0 0 0 0 -16.6471 -1.8820 3.3906 N 0 0 0 0 0 0 0 0 0 -19.0378 -0.5173 5.7935 C 0 0 0 0 0 0 0 0 0 -18.8343 -1.0329 6.8711 O 0 0 0 0 0 0 0 0 0 -20.2027 0.1162 5.5507 N 0 0 0 0 0 0 0 0 0 -21.1705 0.2961 6.6299 C 0 0 0 0 0 0 0 0 0 -20.5974 1.2209 7.6717 C 0 0 0 0 0 0 0 0 0 -20.1208 2.4674 7.3018 C 0 0 0 0 0 0 0 0 0 -19.5919 3.3174 8.2588 C 0 0 0 0 0 0 0 0 0 -19.5396 2.9204 9.5852 C 0 0 0 0 0 0 0 0 0 -20.0171 1.6736 9.9542 C 0 0 0 0 0 0 0 0 0 -20.5493 0.8248 8.9976 C 0 0 0 0 0 0 0 0 0 -16.5156 1.5004 2.0141 C 0 0 0 0 0 0 0 0 0 -17.4094 1.9732 1.3462 O 0 0 0 0 0 0 0 0 0 -15.2635 1.9910 1.9211 N 0 0 0 0 0 0 0 0 0 -15.0033 3.1667 1.0942 C 0 0 0 0 0 0 0 0 0 -15.5176 4.3972 1.7941 C 0 0 0 0 0 0 0 0 0 -14.9072 4.8379 2.9559 C 0 0 0 0 0 0 0 0 0 -15.3800 5.9701 3.5990 C 0 0 0 0 0 0 0 0 0 -16.4628 6.6604 3.0795 C 0 0 0 0 0 0 0 0 0 -17.0722 6.2191 1.9163 C 0 0 0 0 0 0 0 0 0 -16.5973 5.0891 1.2713 C 0 0 0 0 0 0 0 0 0 -18.1543 -3.0349 4.9977 C 0 0 0 0 0 0 0 0 0 -15.6612 -1.0425 1.2676 C 0 0 0 0 0 0 0 0 0 -17.6142 3.4437 4.8256 O 0 0 0 0 0 0 0 0 0 -14.1355 2.9713 7.6603 H 0 0 0 0 0 0 0 0 0 -15.8590 4.3337 6.5551 H 0 0 0 0 0 0 0 0 0 -15.5185 -0.4807 5.5787 H 0 0 0 0 0 0 0 0 0 -13.9689 0.5657 7.1755 H 0 0 0 0 0 0 0 0 0 -18.3431 1.3718 3.9953 H 0 0 0 0 0 0 0 0 0 -16.1508 -2.7091 3.2806 H 0 0 0 0 0 0 0 0 0 -20.3970 0.4512 4.6604 H 0 0 0 0 0 0 0 0 0 -22.0876 0.7275 6.2291 H 0 0 0 0 0 0 0 0 0 -21.3933 -0.6686 7.0854 H 0 0 0 0 0 0 0 0 0 -20.1613 2.7755 6.2725 H 0 0 0 0 0 0 0 0 0 -19.2217 4.2853 7.9724 H 0 0 0 0 0 0 0 0 0 -19.1285 3.5800 10.3279 H 0 0 0 0 0 0 0 0 0 -19.9759 1.3653 10.9832 H 0 0 0 0 0 0 0 0 0 -20.9235 -0.1415 9.2845 H 0 0 0 0 0 0 0 0 0 -14.5371 1.5625 2.4025 H 0 0 0 0 0 0 0 0 0 -13.9308 3.2661 0.9279 H 0 0 0 0 0 0 0 0 0 -15.5094 3.0573 0.1351 H 0 0 0 0 0 0 0 0 0 -14.0669 4.3020 3.3591 H 0 0 0 0 0 0 0 0 0 -14.9069 6.3128 4.5014 H 0 0 0 0 0 0 0 0 0 -16.8300 7.5388 3.5790 H 0 0 0 0 0 0 0 0 0 -17.9130 6.7545 1.5134 H 0 0 0 0 0 0 0 0 0 -17.0679 4.7489 0.3665 H 0 0 0 0 0 0 0 0 0 -17.6823 -3.9064 4.5471 H 0 0 0 0 0 0 0 0 0 -17.9520 -3.0245 6.0682 H 0 0 0 0 0 0 0 0 0 -19.2303 -3.0776 4.8321 H 0 0 0 0 0 0 0 0 0 -15.4212 -2.0994 1.1641 H 0 0 0 0 0 0 0 0 0 -16.2926 -0.7297 0.4366 H 0 0 0 0 0 0 0 0 0 -14.7414 -0.4586 1.2642 H 0 0 0 0 0 0 0 0 0 -17.3934 3.9385 4.0259 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 35 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 23 1 0 0 0 0 8 9 2 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 M END > 634928 > K $$$$ 635121 1016 111283D 635121 38 40 0 1 V2000 1.8994 0.5045 4.6572 C 0 0 0 0 0 0 0 0 0 1.8939 -0.8193 4.2403 C 0 0 0 0 0 0 0 0 0 2.7855 -1.2349 3.2610 C 0 0 0 0 0 0 0 0 0 3.6782 -0.3273 2.7052 C 0 0 0 0 0 0 0 0 0 3.6932 1.0021 3.1149 C 0 0 0 0 0 0 0 0 0 2.7923 1.4071 4.0946 C 0 0 0 0 0 0 0 0 0 2.7590 3.0895 4.6525 S 0 0 0 0 0 0 0 0 0 4.0357 3.8812 3.6971 C 0 0 0 0 0 0 0 0 0 4.7535 3.1810 2.8051 C 0 0 0 0 0 0 0 0 0 4.5952 1.8503 2.5335 N 0 0 0 0 0 0 0 0 0 4.3041 5.3511 3.8997 C 0 0 0 0 0 0 0 0 0 3.4779 6.1498 4.8735 C 0 0 0 0 0 0 0 0 0 5.2295 5.8932 3.2459 N 0 0 0 0 0 0 0 0 0 5.4885 7.1264 3.1774 N 0 0 0 0 0 0 0 0 0 6.6555 7.5560 2.6231 C 0 0 0 0 0 0 0 0 0 7.4931 6.7230 2.3737 O 0 0 0 0 0 0 0 0 0 6.9076 9.0169 2.3264 C 0 0 0 0 0 0 0 0 0 8.1886 9.5167 2.0817 C 0 0 0 0 0 0 0 0 0 8.3667 10.8711 1.8318 C 0 0 0 0 0 0 0 0 0 7.2862 11.7413 1.8197 C 0 0 0 0 0 0 0 0 0 6.0104 11.2503 2.0510 C 0 0 0 0 0 0 0 0 0 5.8270 9.8964 2.2950 C 0 0 0 0 0 0 0 0 0 9.3363 8.7865 2.0635 O 0 0 0 0 0 0 0 0 0 1.2283 0.8257 5.3986 H 0 0 0 0 0 0 0 0 0 1.2179 -1.5026 4.6646 H 0 0 0 0 0 0 0 0 0 2.7850 -2.2355 2.9406 H 0 0 0 0 0 0 0 0 0 4.3496 -0.6516 1.9658 H 0 0 0 0 0 0 0 0 0 5.4990 3.6948 2.2691 H 0 0 0 0 0 0 0 0 0 5.1882 1.4804 1.8588 H 0 0 0 0 0 0 0 0 0 2.8015 5.5208 5.4301 H 0 0 0 0 0 0 0 0 0 4.1365 6.6423 5.5738 H 0 0 0 0 0 0 0 0 0 2.9012 6.8936 4.3446 H 0 0 0 0 0 0 0 0 0 4.8586 7.7779 3.5157 H 0 0 0 0 0 0 0 0 0 9.3348 11.2355 1.6506 H 0 0 0 0 0 0 0 0 0 7.4339 12.7650 1.6360 H 0 0 0 0 0 0 0 0 0 5.1853 11.9011 2.0411 H 0 0 0 0 0 0 0 0 0 4.8501 9.5496 2.4541 H 0 0 0 0 0 0 0 0 0 9.1842 7.8591 2.1879 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 12 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END > 635121 > K $$$$ 635140 1016 111283D 635140 28 29 0 1 V2000 -1.3075 1.1507 -0.6349 C 0 0 0 0 0 0 0 0 0 -1.5130 0.2346 -1.3934 O 0 0 0 0 0 0 0 0 0 -0.8801 1.8887 1.5515 C 0 0 0 0 0 0 0 0 0 -1.1051 0.8815 0.6745 N 0 0 0 0 0 0 0 0 0 -0.6045 1.5705 3.0547 S 0 0 0 0 0 0 0 0 0 -0.8970 3.1768 1.1143 N 0 0 0 0 0 0 0 0 0 -1.1111 3.5252 -0.1954 C 0 0 0 0 0 0 0 0 0 -1.2721 2.5669 -1.1249 C 0 0 0 0 0 0 0 0 0 -1.4161 2.8080 -2.6047 C 0 0 0 0 0 0 0 0 0 -0.4835 3.5766 -3.2933 C 0 0 0 0 0 0 0 0 0 -0.6254 3.7951 -4.6573 C 0 0 0 0 0 0 0 0 0 -1.7032 3.2469 -5.3394 C 0 0 0 0 0 0 0 0 0 -1.8849 3.5254 -7.0475 Cl 0 0 0 0 0 0 0 0 0 -2.6346 2.4757 -4.6571 C 0 0 0 0 0 0 0 0 0 -2.4884 2.2533 -3.2939 C 0 0 0 0 0 0 0 0 0 -1.1634 4.9974 -0.5369 C 0 0 0 0 0 0 0 0 0 -0.9368 5.8052 0.3339 O 0 0 0 0 0 0 0 0 0 -1.4610 5.4298 -1.7934 O 0 0 0 0 0 0 0 0 0 -1.3258 6.8280 -1.9590 C 0 0 0 0 0 0 0 0 0 -1.1233 -0.0402 0.9724 H 0 0 0 0 0 0 0 0 0 -0.7506 3.8840 1.7649 H 0 0 0 0 0 0 0 0 0 0.3351 3.9944 -2.7849 H 0 0 0 0 0 0 0 0 0 0.0822 4.3739 -5.1740 H 0 0 0 0 0 0 0 0 0 -3.4497 2.0606 -5.1732 H 0 0 0 0 0 0 0 0 0 -3.1946 1.6648 -2.7849 H 0 0 0 0 0 0 0 0 0 -1.6203 7.0896 -2.9649 H 0 0 0 0 0 0 0 0 0 -1.9582 7.3612 -1.2629 H 0 0 0 0 0 0 0 0 0 -0.2983 7.1312 -1.8120 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 3 5 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 16 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 M END > 635140 > K $$$$ 635306 1016 111283D 635306 31 34 1 1 V2000 -1.8267 3.5324 1.4105 C 0 0 0 0 0 0 0 0 0 -2.5995 3.3789 2.5529 C 0 0 0 0 0 0 0 0 0 -2.7087 1.8258 3.3202 Cl 0 0 0 0 0 0 0 0 0 -3.2831 4.4618 3.0835 C 0 0 0 0 0 0 0 0 0 -3.1960 5.7037 2.4717 C 0 0 0 0 0 0 0 0 0 -4.0547 7.0526 3.1438 Cl 0 0 0 0 0 0 0 0 0 -2.4226 5.8680 1.3225 C 0 0 0 0 0 0 0 0 0 -2.1870 6.9981 0.5470 N 0 0 0 0 0 0 0 0 0 -1.3702 6.7355 -0.4984 C 0 0 0 0 0 0 0 0 0 -1.0201 5.2722 -0.4162 C 0 0 1 0 0 0 0 0 0 -1.7465 4.7763 0.8037 C 0 0 0 0 0 0 0 0 0 -0.8347 4.4734 -1.5706 O 0 0 0 0 0 0 0 0 0 0.3485 4.7472 -0.8190 C 0 0 1 0 0 0 0 0 0 1.3353 5.7292 -1.3915 C 0 0 0 0 0 0 0 0 0 1.7777 6.6200 -0.7028 O 0 0 0 0 0 0 0 0 0 1.7684 5.6030 -2.8008 C 0 0 0 0 0 0 0 0 0 2.4160 6.6686 -3.4252 C 0 0 0 0 0 0 0 0 0 2.8182 6.5461 -4.7467 C 0 0 0 0 0 0 0 0 0 2.5745 5.3689 -5.4403 C 0 0 0 0 0 0 0 0 0 1.9304 4.3080 -4.8195 C 0 0 0 0 0 0 0 0 0 1.5274 4.4190 -3.4974 C 0 0 0 0 0 0 0 0 0 -0.9939 7.5245 -1.3373 O 0 0 0 0 0 0 0 0 0 -1.2959 2.6976 1.0026 H 0 0 0 0 0 0 0 0 0 -3.8790 4.3404 3.9662 H 0 0 0 0 0 0 0 0 0 -2.5607 7.8750 0.7273 H 0 0 0 0 0 0 0 0 0 0.7739 3.9360 -0.2303 H 0 0 0 0 0 0 0 0 0 2.6056 7.5817 -2.8928 H 0 0 0 0 0 0 0 0 0 3.3172 7.3611 -5.2326 H 0 0 0 0 0 0 0 0 0 2.8869 5.2782 -6.4623 H 0 0 0 0 0 0 0 0 0 1.7449 3.4022 -5.3620 H 0 0 0 0 0 0 0 0 0 1.0339 3.5937 -3.0193 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 2 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 22 2 0 0 0 0 9 10 1 0 0 0 0 10 12 1 1 0 0 0 10 13 1 6 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END > 635306 > K $$$$ 635312 1016 111283D 635312 43 46 1 1 V2000 2.6875 4.2554 -1.3898 C 0 0 0 0 0 0 0 0 0 2.9142 4.0709 -2.7453 C 0 0 0 0 0 0 0 0 0 2.7696 2.8137 -3.3101 C 0 0 0 0 0 0 0 0 0 2.3958 1.7370 -2.5212 C 0 0 0 0 0 0 0 0 0 2.1643 1.9140 -1.1573 C 0 0 0 0 0 0 0 0 0 2.3138 3.1742 -0.6076 C 0 0 0 0 0 0 0 0 0 3.3815 5.4174 -3.7361 Cl 0 0 0 0 0 0 0 0 0 2.2170 0.1674 -3.2382 Cl 0 0 0 0 0 0 0 0 0 1.7855 1.0014 -0.1781 N 0 0 0 0 0 0 0 0 0 1.6649 1.5786 1.0335 C 0 0 0 0 0 0 0 0 0 1.9997 3.0466 0.8656 C 0 0 1 0 0 0 0 0 0 3.1350 3.3949 1.6526 O 0 0 0 0 0 0 0 0 0 0.7954 3.9127 1.2351 C 0 0 1 0 0 0 0 0 0 1.0558 5.3370 0.8232 C 0 0 0 0 0 0 0 0 0 1.3489 1.0265 2.0662 O 0 0 0 0 0 0 0 0 0 -0.4304 3.3997 0.5255 C 0 0 0 0 0 0 0 0 0 -1.7665 3.5990 1.1240 C 0 0 0 0 0 0 0 0 0 -1.9346 4.5177 2.1606 C 0 0 0 0 0 0 0 0 0 -3.1894 4.6990 2.7186 C 0 0 0 0 0 0 0 0 0 -4.2704 3.9678 2.2488 C 0 0 0 0 0 0 0 0 0 -4.1053 3.0531 1.2190 C 0 0 0 0 0 0 0 0 0 -2.8559 2.8676 0.6499 C 0 0 0 0 0 0 0 0 0 -0.3237 2.8288 -0.5365 O 0 0 0 0 0 0 0 0 0 1.9032 6.1321 1.5790 C 0 0 0 0 0 0 0 0 0 2.1410 7.4430 1.2015 C 0 0 0 0 0 0 0 0 0 1.5308 7.9599 0.0690 C 0 0 0 0 0 0 0 0 0 0.6834 7.1642 -0.6859 C 0 0 0 0 0 0 0 0 0 0.4477 5.8512 -0.3098 C 0 0 0 0 0 0 0 0 0 2.8026 5.2266 -0.9503 H 0 0 0 0 0 0 0 0 0 2.9466 2.6730 -4.3594 H 0 0 0 0 0 0 0 0 0 1.6250 0.0592 -0.3416 H 0 0 0 0 0 0 0 0 0 3.8495 2.7979 1.3991 H 0 0 0 0 0 0 0 0 0 0.6365 3.8705 2.3118 H 0 0 0 0 0 0 0 0 0 -1.0993 5.0861 2.5276 H 0 0 0 0 0 0 0 0 0 -3.3251 5.4052 3.5155 H 0 0 0 0 0 0 0 0 0 -5.2414 4.1112 2.6847 H 0 0 0 0 0 0 0 0 0 -4.9464 2.4900 0.8614 H 0 0 0 0 0 0 0 0 0 -2.7329 2.1613 -0.1511 H 0 0 0 0 0 0 0 0 0 2.3756 5.7318 2.4566 H 0 0 0 0 0 0 0 0 0 2.7978 8.0592 1.7860 H 0 0 0 0 0 0 0 0 0 1.7148 8.9764 -0.2235 H 0 0 0 0 0 0 0 0 0 0.2103 7.5648 -1.5625 H 0 0 0 0 0 0 0 0 0 -0.2057 5.2335 -0.8968 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 15 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 1 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 14 1 6 0 0 0 13 33 1 1 0 0 0 14 24 2 0 0 0 0 14 28 1 0 0 0 0 16 23 2 0 0 0 0 16 17 1 0 0 0 0 17 22 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END > 635312 > K $$$$ 635321 1016 111283D 635321 46 49 1 1 V2000 1.3627 5.5854 4.0117 C 0 0 0 0 0 0 0 0 0 0.4577 5.6974 5.0571 C 0 0 0 0 0 0 0 0 0 -0.7511 6.3609 4.8432 C 0 0 0 0 0 0 0 0 0 -1.0461 6.9059 3.6045 C 0 0 0 0 0 0 0 0 0 -0.1438 6.7969 2.5590 C 0 0 0 0 0 0 0 0 0 1.0698 6.1301 2.7840 C 0 0 0 0 0 0 0 0 0 -2.3566 7.6192 3.3948 C 0 0 0 0 0 0 0 0 0 -0.2074 7.2438 1.2603 N 0 0 0 0 0 0 0 0 0 0.9011 6.9239 0.5588 C 0 0 0 0 0 0 0 0 0 1.8392 6.1683 1.4766 C 0 0 1 0 0 0 0 0 0 3.0548 6.8744 1.6451 O 0 0 0 0 0 0 0 0 0 2.0742 4.7575 0.9552 C 0 0 1 0 0 0 0 0 0 0.7939 3.9683 0.9988 C 0 0 0 0 0 0 0 0 0 -0.2772 4.5417 0.9585 O 0 0 0 0 0 0 0 0 0 1.1098 7.1917 -0.6096 O 0 0 0 0 0 0 0 0 0 -1.8917 6.5049 6.1542 Cl 0 0 0 0 0 0 0 0 0 2.5690 4.8259 -0.4681 C 0 0 0 0 0 0 0 0 0 1.6888 4.6124 -1.5206 C 0 0 0 0 0 0 0 0 0 2.1441 4.6767 -2.8271 C 0 0 0 0 0 0 0 0 0 3.4769 4.9600 -3.0814 C 0 0 0 0 0 0 0 0 0 4.3563 5.1742 -2.0307 C 0 0 0 0 0 0 0 0 0 3.9032 5.1164 -0.7229 C 0 0 0 0 0 0 0 0 0 0.8332 2.4959 1.1059 C 0 0 0 0 0 0 0 0 0 -0.3301 1.7798 1.4348 C 0 0 0 0 0 0 0 0 0 -0.2810 0.4128 1.5272 C 0 0 0 0 0 0 0 0 0 0.9082 -0.2694 1.2879 C 0 0 0 0 0 0 0 0 0 2.0592 0.4374 0.9593 C 0 0 0 0 0 0 0 0 0 2.0287 1.8046 0.8514 C 0 0 0 0 0 0 0 0 0 2.2904 5.0783 4.1745 H 0 0 0 0 0 0 0 0 0 0.6711 5.2818 6.0133 H 0 0 0 0 0 0 0 0 0 -2.2327 8.6707 3.6289 H 0 0 0 0 0 0 0 0 0 -2.6624 7.5084 2.3629 H 0 0 0 0 0 0 0 0 0 -3.1129 7.1910 4.0436 H 0 0 0 0 0 0 0 0 0 -0.9519 7.7320 0.8794 H 0 0 0 0 0 0 0 0 0 2.8406 7.7598 1.9386 H 0 0 0 0 0 0 0 0 0 2.8204 4.2710 1.5737 H 0 0 0 0 0 0 0 0 0 0.6637 4.3963 -1.3239 H 0 0 0 0 0 0 0 0 0 1.4678 4.5108 -3.6312 H 0 0 0 0 0 0 0 0 0 3.8263 5.0087 -4.0867 H 0 0 0 0 0 0 0 0 0 5.3799 5.3923 -2.2279 H 0 0 0 0 0 0 0 0 0 4.5745 5.2844 0.0862 H 0 0 0 0 0 0 0 0 0 -1.2385 2.3070 1.6189 H 0 0 0 0 0 0 0 0 0 -1.1610 -0.1365 1.7826 H 0 0 0 0 0 0 0 0 0 0.9379 -1.3295 1.3625 H 0 0 0 0 0 0 0 0 0 2.9686 -0.0911 0.7746 H 0 0 0 0 0 0 0 0 0 2.9097 2.3479 0.5959 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 16 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 15 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 1 0 0 0 11 35 1 0 0 0 0 12 13 1 1 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > 635321 > K $$$$ 635326 1016 111283D 635326 35 37 1 2 V2000 3.2131 3.1321 -0.1263 C 0 0 0 0 0 0 0 0 0 3.2952 1.8189 0.3228 C 0 0 0 0 0 0 0 0 0 3.6585 1.5394 1.6370 C 0 0 0 0 0 0 0 0 0 3.9449 2.5693 2.5258 C 0 0 0 0 0 0 0 0 0 3.8552 3.8767 2.0694 C 0 0 0 0 0 0 0 0 0 3.4949 4.1583 0.7646 C 0 0 0 0 0 0 0 0 0 2.9396 0.5121 -0.7687 Cl 0 0 0 0 0 0 0 0 0 4.4035 2.2235 4.1684 Cl 0 0 0 0 0 0 0 0 0 4.0771 5.0292 2.7360 N 0 0 0 0 0 0 0 0 0 3.8569 6.0678 1.8991 C 0 0 0 0 0 0 0 0 0 3.4614 5.6393 0.5007 C 0 0 1 0 0 0 0 0 0 4.3773 5.9643 -0.5259 O 0 0 0 0 0 0 0 0 0 2.0643 6.1568 0.1643 C 0 0 0 0 0 0 0 0 0 1.1415 5.7217 1.2654 C 0 0 0 0 0 0 0 0 0 0.7065 4.5963 1.2219 O 0 0 0 0 0 0 0 0 0 0.7528 6.6124 2.4144 C 0 0 0 0 0 0 0 0 0 1.0739 7.9664 2.4553 C 0 0 0 0 0 0 0 0 0 0.6768 8.7470 3.5325 C 0 0 0 0 0 0 0 0 0 -0.0411 8.1827 4.5780 C 0 0 0 0 0 0 0 0 0 0.0458 6.0484 3.4702 C 0 0 0 0 0 0 0 0 0 3.9598 7.2206 2.2412 O 0 0 0 0 0 0 0 0 0 -0.3491 6.8284 4.5497 C 0 0 0 0 0 0 0 0 0 -0.4251 8.9770 5.6073 N 0 3 0 0 0 0 0 0 0 -1.0625 8.5163 6.5798 O 0 0 0 0 0 0 0 0 0 -0.0785 10.3934 5.5647 O 0 5 0 0 0 0 0 0 0 2.9432 3.3408 -1.1193 H 0 0 0 0 0 0 0 0 0 3.7172 0.5424 1.9613 H 0 0 0 0 0 0 0 0 0 4.3502 5.1120 3.6628 H 0 0 0 0 0 0 0 0 0 4.6317 6.8791 -0.4453 H 0 0 0 0 0 0 0 0 0 2.0947 7.2305 0.0608 H 0 0 0 0 0 0 0 0 0 1.7350 5.7393 -0.7754 H 0 0 0 0 0 0 0 0 0 1.6165 8.4219 1.6812 H 0 0 0 0 0 0 0 0 0 0.9172 9.7706 3.5602 H 0 0 0 0 0 0 0 0 0 -0.1924 5.0238 3.4529 H 0 0 0 0 0 0 0 0 0 -0.8819 6.3928 5.3433 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 21 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 1 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 22 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 2 23 1 25 -1 M END > 635326 > K $$$$ 635328 1016 111283D 635328 39 42 1 1 V2000 2.9628 5.5485 4.3336 C 0 0 0 0 0 0 0 0 0 3.1992 6.6387 5.1645 C 0 0 0 0 0 0 0 0 0 3.9453 7.7266 4.7203 C 0 0 0 0 0 0 0 0 0 4.4676 7.7477 3.4326 C 0 0 0 0 0 0 0 0 0 4.2183 6.6584 2.6096 C 0 0 0 0 0 0 0 0 0 3.4770 5.5741 3.0443 C 0 0 0 0 0 0 0 0 0 2.5546 6.6471 6.7796 Cl 0 0 0 0 0 0 0 0 0 5.4048 9.1039 2.8709 Cl 0 0 0 0 0 0 0 0 0 4.6087 6.4548 1.3354 N 0 0 0 0 0 0 0 0 0 4.1361 5.2570 0.9196 C 0 0 0 0 0 0 0 0 0 3.3259 4.5263 1.9708 C 0 0 1 0 0 0 0 0 0 3.8683 3.2845 2.3763 O 0 0 0 0 0 0 0 0 0 1.8694 4.3599 1.5311 C 0 0 0 0 0 0 0 0 0 1.3067 5.7220 1.2524 C 0 0 0 0 0 0 0 0 0 1.2343 6.0986 0.1076 O 0 0 0 0 0 0 0 0 0 0.8560 6.6085 2.3835 C 0 0 0 0 0 0 0 0 0 1.2289 7.9501 2.4294 C 0 0 0 0 0 0 0 0 0 0.8158 8.7412 3.5016 C 0 0 0 0 0 0 0 0 0 0.0325 8.1985 4.5132 C 0 0 0 0 0 0 0 0 0 0.0656 6.0735 3.3957 C 0 0 0 0 0 0 0 0 0 4.3439 4.8231 -0.1868 O 0 0 0 0 0 0 0 0 0 -0.3436 6.8639 4.4602 C 0 0 0 0 0 0 0 0 0 2.0135 8.5190 1.4293 C 0 0 0 0 0 0 0 0 0 2.3851 9.8541 1.4960 C 0 0 0 0 0 0 0 0 0 1.9701 10.6356 2.5649 C 0 0 0 0 0 0 0 0 0 1.1861 10.0787 3.5658 C 0 0 0 0 0 0 0 0 0 2.4050 4.7246 4.6731 H 0 0 0 0 0 0 0 0 0 4.1169 8.5392 5.3627 H 0 0 0 0 0 0 0 0 0 5.1403 7.0602 0.7954 H 0 0 0 0 0 0 0 0 0 3.9515 2.7203 1.6104 H 0 0 0 0 0 0 0 0 0 1.8353 3.7652 0.6298 H 0 0 0 0 0 0 0 0 0 1.3172 3.8498 2.3059 H 0 0 0 0 0 0 0 0 0 -0.2780 8.7956 5.3206 H 0 0 0 0 0 0 0 0 0 -0.2292 5.0660 3.3620 H 0 0 0 0 0 0 0 0 0 -0.9369 6.4530 5.2239 H 0 0 0 0 0 0 0 0 0 2.3390 7.9481 0.6096 H 0 0 0 0 0 0 0 0 0 2.9801 10.2699 0.7366 H 0 0 0 0 0 0 0 0 0 2.2494 11.6467 2.6159 H 0 0 0 0 0 0 0 0 0 0.8725 10.6739 4.3729 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 21 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 1 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END > 635328 > K $$$$ 635366 1016 111283D 635366 51 54 1 1 V2000 -2.3945 11.5176 -7.9887 Cl 0 0 0 0 0 0 0 0 0 -3.8967 11.5635 -7.1125 C 0 0 0 0 0 0 0 0 0 -5.0568 11.9911 -7.7404 C 0 0 0 0 0 0 0 0 0 -6.2518 12.0130 -7.0351 C 0 0 0 0 0 0 0 0 0 -6.3063 11.6113 -5.7057 C 0 0 0 0 0 0 0 0 0 -5.1358 11.1968 -5.0728 C 0 0 0 0 0 0 0 0 0 -3.9391 11.1722 -5.7822 C 0 0 0 0 0 0 0 0 0 -7.9397 11.6892 -4.9660 S 0 0 0 0 0 0 0 0 0 -8.1582 11.0058 -3.3223 C 0 0 0 0 0 0 0 0 0 -7.2996 10.0961 -2.7082 C 0 0 0 0 0 0 0 0 0 -6.0758 9.5990 -3.4303 C 0 0 1 0 0 0 0 0 0 -5.1136 10.7677 -3.6348 C 0 0 0 0 0 0 0 0 0 -9.2908 11.4453 -2.6469 C 0 0 0 0 0 0 0 0 0 -9.5765 10.9954 -1.3655 C 0 0 0 0 0 0 0 0 0 -8.7190 10.0965 -0.7492 C 0 0 0 0 0 0 0 0 0 -7.5868 9.6536 -1.4189 C 0 0 0 0 0 0 0 0 0 -5.1986 8.2508 -2.5755 S 0 0 0 0 0 0 0 0 0 -6.0729 6.7479 -3.1033 C 0 0 0 0 0 0 0 0 0 -5.3324 6.1059 -4.2759 C 0 0 0 0 0 0 0 0 0 -5.2555 6.9751 -5.4514 N 0 0 0 0 0 0 0 0 0 -6.4998 7.0623 -6.2194 C 0 0 0 0 0 0 0 0 0 -6.3644 8.0669 -7.3654 C 0 0 0 0 0 0 0 0 0 -5.2237 7.7077 -8.2056 N 0 0 0 0 0 0 0 0 0 -3.9769 7.6588 -7.4463 C 0 0 0 0 0 0 0 0 0 -4.1117 6.6508 -6.3059 C 0 0 0 0 0 0 0 0 0 -5.1230 8.4891 -9.4327 C 0 0 0 0 0 0 0 0 0 -5.0298 12.2962 -8.7448 H 0 0 0 0 0 0 0 0 0 -7.1283 12.3377 -7.5138 H 0 0 0 0 0 0 0 0 0 -3.0533 10.8551 -5.3148 H 0 0 0 0 0 0 0 0 0 -6.3826 9.1985 -4.3857 H 0 0 0 0 0 0 0 0 0 -4.1155 10.4499 -3.3686 H 0 0 0 0 0 0 0 0 0 -5.3623 11.6078 -3.0011 H 0 0 0 0 0 0 0 0 0 -9.9401 12.1280 -3.1113 H 0 0 0 0 0 0 0 0 0 -10.4363 11.3336 -0.8651 H 0 0 0 0 0 0 0 0 0 -8.9259 9.7515 0.2216 H 0 0 0 0 0 0 0 0 0 -6.9510 8.9763 -0.9307 H 0 0 0 0 0 0 0 0 0 -6.0862 6.0519 -2.2775 H 0 0 0 0 0 0 0 0 0 -7.0905 6.9861 -3.3749 H 0 0 0 0 0 0 0 0 0 -4.3369 5.8813 -3.9182 H 0 0 0 0 0 0 0 0 0 -5.8121 5.1723 -4.5363 H 0 0 0 0 0 0 0 0 0 -6.7336 6.0946 -6.6420 H 0 0 0 0 0 0 0 0 0 -7.3195 7.3709 -5.5874 H 0 0 0 0 0 0 0 0 0 -7.2753 8.0542 -7.9472 H 0 0 0 0 0 0 0 0 0 -6.2243 9.0567 -6.9548 H 0 0 0 0 0 0 0 0 0 -3.1586 7.3545 -8.0835 H 0 0 0 0 0 0 0 0 0 -3.7546 8.6320 -7.0324 H 0 0 0 0 0 0 0 0 0 -3.1972 6.6698 -5.7298 H 0 0 0 0 0 0 0 0 0 -4.2376 5.6636 -6.7294 H 0 0 0 0 0 0 0 0 0 -4.3171 8.1093 -10.0448 H 0 0 0 0 0 0 0 0 0 -6.0419 8.4109 -9.9961 H 0 0 0 0 0 0 0 0 0 -4.9332 9.5283 -9.2063 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 6 7 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 6 0 0 0 11 12 1 1 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END > 635366 > K $$$$ 635435 1016 111283D 635435 46 49 1 1 V2000 2.3864 1.8159 5.9343 C 0 0 0 0 0 0 0 0 0 2.8226 1.4877 7.2072 C 0 0 0 0 0 0 0 0 0 3.5397 2.4111 7.9479 C 0 0 0 0 0 0 0 0 0 3.8218 3.6561 7.4254 C 0 0 0 0 0 0 0 0 0 3.3861 3.9931 6.1453 C 0 0 0 0 0 0 0 0 0 2.6676 3.0581 5.4113 C 0 0 0 0 0 0 0 0 0 2.3446 3.7131 4.0881 C 0 0 1 0 0 0 0 0 0 2.9659 5.0893 4.1971 C 0 0 0 0 0 0 0 0 0 3.5425 5.1681 5.4082 N 0 0 0 0 0 0 0 0 0 2.4703 -0.0769 7.8718 Cl 0 0 0 0 0 0 0 0 0 2.9333 2.9819 3.0106 O 0 0 0 0 0 0 0 0 0 2.9465 5.9576 3.3506 O 0 0 0 0 0 0 0 0 0 0.8302 3.8220 3.8994 C 0 0 1 0 0 0 0 0 0 0.2059 2.4587 4.0501 C 0 0 0 0 0 0 0 0 0 0.2602 4.7532 4.9381 C 0 0 0 0 0 0 0 0 0 0.8179 4.8836 6.0069 O 0 0 0 0 0 0 0 0 0 -0.9734 5.5042 4.6555 C 0 0 0 0 0 0 0 0 0 -1.7832 5.1445 3.5732 C 0 0 0 0 0 0 0 0 0 -2.9376 5.8528 3.3152 C 0 0 0 0 0 0 0 0 0 -3.2957 6.9177 4.1238 C 0 0 0 0 0 0 0 0 0 -1.3451 6.5777 5.4710 C 0 0 0 0 0 0 0 0 0 -2.4999 7.2798 5.1965 C 0 0 0 0 0 0 0 0 0 4.6027 4.6542 8.2409 C 0 0 0 0 0 0 0 0 0 0.2966 1.5396 3.0218 C 0 0 0 0 0 0 0 0 0 -0.2763 0.2889 3.1600 C 0 0 0 0 0 0 0 0 0 -0.9393 -0.0424 4.3266 C 0 0 0 0 0 0 0 0 0 -1.0293 0.8767 5.3556 C 0 0 0 0 0 0 0 0 0 -0.4529 2.1255 5.2191 C 0 0 0 0 0 0 0 0 0 1.8302 1.0969 5.3511 H 0 0 0 0 0 0 0 0 0 3.8801 2.1554 8.9405 H 0 0 0 0 0 0 0 0 0 4.0138 5.9513 5.7328 H 0 0 0 0 0 0 0 0 0 3.8875 2.9731 3.1672 H 0 0 0 0 0 0 0 0 0 0.6152 4.2121 2.9045 H 0 0 0 0 0 0 0 0 0 -1.5047 4.3142 2.9410 H 0 0 0 0 0 0 0 0 0 -3.5638 5.5762 2.4800 H 0 0 0 0 0 0 0 0 0 -4.2008 7.4691 3.9162 H 0 0 0 0 0 0 0 0 0 -0.7272 6.8588 6.3109 H 0 0 0 0 0 0 0 0 0 -2.7860 8.1119 5.8227 H 0 0 0 0 0 0 0 0 0 5.6676 4.5310 8.0435 H 0 0 0 0 0 0 0 0 0 4.2972 5.6644 7.9683 H 0 0 0 0 0 0 0 0 0 4.4081 4.4893 9.3006 H 0 0 0 0 0 0 0 0 0 0.8146 1.7985 2.1103 H 0 0 0 0 0 0 0 0 0 -0.2060 -0.4290 2.3563 H 0 0 0 0 0 0 0 0 0 -1.3874 -1.0192 4.4344 H 0 0 0 0 0 0 0 0 0 -1.5477 0.6179 6.2670 H 0 0 0 0 0 0 0 0 0 -0.5199 2.8421 6.0242 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 10 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 23 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 6 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 8 12 2 0 0 0 0 8 9 1 0 0 0 0 9 31 1 0 0 0 0 11 32 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 6 0 0 0 13 33 1 1 0 0 0 14 24 2 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > 635435 > K $$$$ 635436 1016 111283D 635436 33 35 1 1 V2000 0.8511 6.0426 -2.1418 C 0 0 0 0 0 0 0 0 0 1.2512 7.1412 -2.8951 C 0 0 0 0 0 0 0 0 0 0.7520 8.4115 -2.6208 C 0 0 0 0 0 0 0 0 0 -0.1572 8.6046 -1.5871 C 0 0 0 0 0 0 0 0 0 -0.5485 7.5017 -0.8410 C 0 0 0 0 0 0 0 0 0 -0.0539 6.2376 -1.1073 C 0 0 0 0 0 0 0 0 0 -0.6145 5.2074 -0.1599 C 0 0 1 0 0 0 0 0 0 -1.4906 6.1632 0.6252 C 0 0 0 0 0 0 0 0 0 -1.4087 7.4434 0.1977 N 0 0 0 0 0 0 0 0 0 -1.3201 4.2013 -0.8583 O 0 0 0 0 0 0 0 0 0 -2.1919 5.8280 1.5489 O 0 0 0 0 0 0 0 0 0 0.4554 4.5969 0.7482 C 0 0 0 0 0 0 0 0 0 1.3099 5.7241 1.2449 C 0 0 0 0 0 0 0 0 0 2.3632 5.9373 0.6952 O 0 0 0 0 0 0 0 0 0 0.8626 6.5884 2.3877 C 0 0 0 0 0 0 0 0 0 1.1602 7.9462 2.3762 C 0 0 0 0 0 0 0 0 0 0.7537 8.7533 3.4298 C 0 0 0 0 0 0 0 0 0 0.0493 8.2091 4.4953 C 0 0 0 0 0 0 0 0 0 0.1499 6.0467 3.4531 C 0 0 0 0 0 0 0 0 0 -0.2550 6.8551 4.5061 C 0 0 0 0 0 0 0 0 0 1.4816 4.4609 -2.5013 Cl 0 0 0 0 0 0 0 0 0 -0.7859 10.1902 -1.2410 Cl 0 0 0 0 0 0 0 0 0 2.0352 8.6664 1.0528 Cl 0 0 0 0 0 0 0 0 0 -0.4489 9.2222 5.8180 Cl 0 0 0 0 0 0 0 0 0 1.9378 7.0100 -3.6794 H 0 0 0 0 0 0 0 0 0 1.0635 9.2318 -3.1980 H 0 0 0 0 0 0 0 0 0 -1.8942 8.1899 0.5822 H 0 0 0 0 0 0 0 0 0 -1.8428 3.6986 -0.2405 H 0 0 0 0 0 0 0 0 0 -0.0119 4.0667 1.5625 H 0 0 0 0 0 0 0 0 0 1.0569 3.8991 0.1839 H 0 0 0 0 0 0 0 0 0 0.9800 9.7780 3.4190 H 0 0 0 0 0 0 0 0 0 -0.0867 5.0238 3.4787 H 0 0 0 0 0 0 0 0 0 -0.7895 6.4422 5.3112 H 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 10 1 6 0 0 0 7 8 1 0 0 0 0 7 12 1 1 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 23 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 24 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END > 635436 > K $$$$ 635437 1016 111283D 635437 33 35 1 1 V2000 0.6709 4.9951 -2.1425 C 0 0 0 0 0 0 0 0 0 0.8313 5.8974 -3.1881 C 0 0 0 0 0 0 0 0 0 0.1015 7.0823 -3.2226 C 0 0 0 0 0 0 0 0 0 -0.8011 7.3872 -2.2098 C 0 0 0 0 0 0 0 0 0 -0.9508 6.4827 -1.1681 C 0 0 0 0 0 0 0 0 0 -0.2288 5.3036 -1.1318 C 0 0 0 0 0 0 0 0 0 -0.5536 4.4884 0.0922 C 0 0 1 0 0 0 0 0 0 -1.5660 5.4553 0.6747 C 0 0 0 0 0 0 0 0 0 -1.7514 6.5599 -0.0838 N 0 0 0 0 0 0 0 0 0 -1.0793 3.2214 -0.2494 O 0 0 0 0 0 0 0 0 0 -2.1515 5.2715 1.7143 O 0 0 0 0 0 0 0 0 0 0.6621 4.3511 1.0068 C 0 0 0 0 0 0 0 0 0 1.1918 5.7411 1.2028 C 0 0 0 0 0 0 0 0 0 1.9445 6.1830 0.3680 O 0 0 0 0 0 0 0 0 0 0.7984 6.5863 2.3795 C 0 0 0 0 0 0 0 0 0 1.1348 7.9339 2.3684 C 0 0 0 0 0 0 0 0 0 0.7569 8.7548 3.4223 C 0 0 0 0 0 0 0 0 0 0.0520 8.2276 4.4962 C 0 0 0 0 0 0 0 0 0 0.1103 6.0577 3.4676 C 0 0 0 0 0 0 0 0 0 -0.2654 6.8770 4.5218 C 0 0 0 0 0 0 0 0 0 1.5872 3.5153 -2.1166 Cl 0 0 0 0 0 0 0 0 0 -1.7171 8.8665 -2.2513 Cl 0 0 0 0 0 0 0 0 0 -0.4364 9.2529 5.8128 Cl 0 0 0 0 0 0 0 0 0 1.5111 5.6800 -3.9586 H 0 0 0 0 0 0 0 0 0 0.2327 7.7528 -4.0202 H 0 0 0 0 0 0 0 0 0 -2.3626 7.2830 0.1280 H 0 0 0 0 0 0 0 0 0 -1.4687 2.8261 0.5257 H 0 0 0 0 0 0 0 0 0 0.3706 3.8775 1.9302 H 0 0 0 0 0 0 0 0 0 1.4110 3.7300 0.5398 H 0 0 0 0 0 0 0 0 0 1.6747 8.3335 1.5595 H 0 0 0 0 0 0 0 0 0 1.0034 9.7750 3.4066 H 0 0 0 0 0 0 0 0 0 -0.1365 5.0394 3.5137 H 0 0 0 0 0 0 0 0 0 -0.7895 6.4723 5.3370 H 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 10 1 6 0 0 0 7 8 1 0 0 0 0 7 12 1 1 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 23 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END > 635437 > K $$$$ 635438 1016 111283D 635438 35 37 1 2 V2000 3.4718 3.1004 0.0268 C 0 0 0 0 0 0 0 0 0 3.4653 1.7652 0.4162 C 0 0 0 0 0 0 0 0 0 3.6436 1.4121 1.7507 C 0 0 0 0 0 0 0 0 0 3.8303 2.3896 2.7213 C 0 0 0 0 0 0 0 0 0 3.8322 3.7187 2.3224 C 0 0 0 0 0 0 0 0 0 3.6566 4.0748 0.9977 C 0 0 0 0 0 0 0 0 0 3.6924 5.5680 0.8085 C 0 0 1 0 0 0 0 0 0 3.9024 5.9132 2.2707 C 0 0 0 0 0 0 0 0 0 3.9896 4.8283 3.0731 N 0 0 0 0 0 0 0 0 0 3.2317 0.5204 -0.7760 Cl 0 0 0 0 0 0 0 0 0 4.7414 5.9567 -0.0555 O 0 0 0 0 0 0 0 0 0 3.9770 7.0405 2.6946 O 0 0 0 0 0 0 0 0 0 2.3569 6.1031 0.2995 C 0 0 0 0 0 0 0 0 0 1.3192 5.6809 1.2974 C 0 0 0 0 0 0 0 0 0 0.8575 4.5693 1.2060 O 0 0 0 0 0 0 0 0 0 0.8624 6.5903 2.4034 C 0 0 0 0 0 0 0 0 0 1.1419 7.9533 2.4039 C 0 0 0 0 0 0 0 0 0 0.7285 8.7536 3.4586 C 0 0 0 0 0 0 0 0 0 0.0265 8.1957 4.5184 C 0 0 0 0 0 0 0 0 0 0.1406 6.0416 3.4558 C 0 0 0 0 0 0 0 0 0 -0.2708 6.8392 4.5152 C 0 0 0 0 0 0 0 0 0 4.0550 1.9559 4.3921 Cl 0 0 0 0 0 0 0 0 0 1.0237 10.0761 3.4265 N 0 3 0 0 0 0 0 0 0 0.6864 10.8359 4.3608 O 0 0 0 0 0 0 0 0 0 1.7481 10.6065 2.2763 O 0 5 0 0 0 0 0 0 0 3.3393 3.3653 -0.9809 H 0 0 0 0 0 0 0 0 0 3.6372 0.3991 2.0272 H 0 0 0 0 0 0 0 0 0 4.1413 4.8549 4.0304 H 0 0 0 0 0 0 0 0 0 4.8640 6.9017 0.0072 H 0 0 0 0 0 0 0 0 0 2.4231 7.1744 0.2042 H 0 0 0 0 0 0 0 0 0 2.1389 5.6950 -0.6761 H 0 0 0 0 0 0 0 0 0 1.6649 8.4070 1.6155 H 0 0 0 0 0 0 0 0 0 -0.2791 8.7997 5.3204 H 0 0 0 0 0 0 0 0 0 -0.0935 5.0166 3.4511 H 0 0 0 0 0 0 0 0 0 -0.8061 6.4154 5.3135 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 10 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 22 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 6 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 8 12 2 0 0 0 0 8 9 1 0 0 0 0 9 28 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 23 1 0 0 0 0 18 19 2 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 2 23 1 25 -1 M END > 635438 > K $$$$ 635441 1016 111283D 635441 28 28 0 1 V2000 2.4245 -2.5543 -0.4797 C 0 0 0 0 0 0 0 0 0 2.0265 -3.3744 -1.5325 C 0 0 0 0 0 0 0 0 0 2.8778 -3.5585 -2.6168 C 0 0 0 0 0 0 0 0 0 4.1025 -2.9055 -2.6708 C 0 0 0 0 0 0 0 0 0 4.4869 -2.0685 -1.6325 C 0 0 0 0 0 0 0 0 0 3.6497 -1.8986 -0.5386 C 0 0 0 0 0 0 0 0 0 1.6169 -2.3966 0.6039 O 0 0 0 0 0 0 0 0 0 0.6928 -4.0772 -1.5357 C 0 0 0 0 0 0 0 0 0 0.5202 -4.9870 -2.3122 O 0 0 0 0 0 0 0 0 0 -0.3250 -3.7276 -0.7047 N 0 0 0 0 0 0 0 0 0 -1.3616 -4.4413 -0.6059 N 0 0 0 0 0 0 0 0 0 -2.4546 -4.0883 -0.0977 C 0 0 0 0 0 0 0 0 0 -2.7597 -2.6472 0.2056 C 0 0 0 0 0 0 0 0 0 -3.4890 -5.1316 0.2123 C 0 0 0 0 0 0 0 0 0 -4.5275 -4.8144 0.7433 O 0 0 0 0 0 0 0 0 0 -3.2521 -6.5699 -0.1288 C 0 0 0 0 0 0 0 0 0 2.5934 -4.1940 -3.4042 H 0 0 0 0 0 0 0 0 0 4.7369 -3.0442 -3.4965 H 0 0 0 0 0 0 0 0 0 5.4086 -1.5653 -1.6735 H 0 0 0 0 0 0 0 0 0 3.9458 -1.2699 0.2485 H 0 0 0 0 0 0 0 0 0 2.0396 -1.8720 1.2770 H 0 0 0 0 0 0 0 0 0 -0.2369 -2.9165 -0.1820 H 0 0 0 0 0 0 0 0 0 -3.8282 -2.5042 0.2796 H 0 0 0 0 0 0 0 0 0 -2.2959 -2.3581 1.1365 H 0 0 0 0 0 0 0 0 0 -2.3859 -2.0235 -0.5935 H 0 0 0 0 0 0 0 0 0 -2.7707 -6.6473 -1.0922 H 0 0 0 0 0 0 0 0 0 -2.6197 -7.0103 0.6278 H 0 0 0 0 0 0 0 0 0 -4.1983 -7.0889 -0.1552 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 13 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END > 635441 > K $$$$ 635448 1016 111283D 635448 34 36 1 2 V2000 -0.1018 1.3390 -0.0137 C 0 0 0 0 0 0 0 0 0 -0.1734 -0.1276 0.0302 C 0 0 0 0 0 0 0 0 0 1.2326 -0.6458 0.0442 C 0 0 0 0 0 0 0 0 0 2.6055 0.0521 -0.3364 N 0 3 0 0 0 0 0 0 0 2.3217 1.4320 -0.3945 C 0 0 0 0 0 0 0 0 0 1.0981 2.1922 -0.1438 C 0 0 0 0 0 0 0 0 0 3.6051 1.3890 -0.6167 C 0 0 0 0 0 0 0 0 0 3.4198 -0.0227 -0.2321 N 0 3 1 0 0 0 0 0 0 3.6391 -1.3174 -0.2419 Cu 0 6 1 0 0 0 0 0 0 4.1079 2.6776 -1.1813 C 0 0 0 0 0 0 0 0 0 4.4590 -0.3539 -1.2507 N 0 5 0 0 0 0 0 0 0 4.0561 -1.2084 -2.3394 C 0 0 0 0 0 0 0 0 0 4.0941 -1.1880 -3.7455 N 0 0 0 0 0 0 0 0 0 4.7079 -0.2580 -4.7091 C 0 0 0 0 0 0 0 0 0 3.2045 -2.1742 -4.3522 C 0 0 0 0 0 0 0 0 0 4.9336 -1.6148 1.4243 Br 0 3 0 0 0 0 0 0 0 3.6052 -2.5088 -1.3878 S 0 2 0 0 0 0 0 0 0 -1.0152 1.9558 -0.0037 H 0 0 0 0 0 0 0 0 0 -1.1172 -0.7054 0.0785 H 0 0 0 0 0 0 0 0 0 1.3034 -1.6733 0.4165 H 0 0 0 0 0 0 0 0 0 1.7022 0.3615 -0.1432 H 0 0 0 0 0 0 0 0 0 1.1946 3.2357 -0.0508 H 0 0 0 0 0 0 0 0 0 4.1764 0.5068 -1.0055 H 0 0 0 0 0 0 0 0 0 3.3248 3.4567 -1.0024 H 0 0 0 0 0 0 0 0 0 4.9331 2.9866 -0.5706 H 0 0 0 0 0 0 0 0 0 4.2977 2.4834 -2.2456 H 0 0 0 0 0 0 0 0 0 5.1995 0.5125 -4.1358 H 0 0 0 0 0 0 0 0 0 5.4090 -0.8955 -5.2443 H 0 0 0 0 0 0 0 0 0 3.9602 0.1649 -5.4242 H 0 0 0 0 0 0 0 0 0 3.4109 -3.1972 -4.1141 H 0 0 0 0 0 0 0 0 0 2.1182 -2.0776 -4.2633 H 0 0 0 0 0 0 0 0 0 3.2551 -2.2182 -5.4178 H 0 0 0 0 0 0 0 0 0 5.1360 -2.8444 2.4102 H 0 0 0 0 0 0 0 0 0 3.4067 -3.7136 -1.6281 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 16 1 1 0 0 0 9 17 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 M CHG 6 4 1 8 1 9 -2 11 -1 16 1 17 2 M END > 635448 > K $$$$ 635542 1016 111283D 635542 41 42 0 2 V2000 7.1235 0.4609 -0.6465 C 0 0 0 0 0 0 0 0 0 8.5079 0.5139 -0.5678 C 0 0 0 0 0 0 0 0 0 9.1390 1.6147 -0.0034 C 0 0 0 0 0 0 0 0 0 8.3946 2.6732 0.4995 C 0 0 0 0 0 0 0 0 0 7.0024 2.6271 0.4419 C 0 0 0 0 0 0 0 0 0 6.3678 1.5197 -0.1474 C 0 0 0 0 0 0 0 0 0 4.9991 1.5073 -0.2145 N 0 2 0 0 0 0 0 0 0 4.4235 0.5199 -0.7617 O 0 0 0 0 0 0 0 0 0 4.2353 2.5302 0.2909 C 0 0 0 0 0 0 0 0 0 4.8447 3.6271 0.9260 C 0 0 0 0 0 0 0 0 0 6.2262 3.6465 0.9565 N 0 2 0 0 0 0 0 0 0 6.8075 4.6409 1.4817 O 0 0 0 0 0 0 0 0 0 4.0779 4.7716 1.5779 C 0 0 0 0 0 0 0 0 0 2.7607 2.3237 0.0816 C 0 0 0 0 0 0 0 0 0 2.4423 1.1678 0.1514 O 0 0 0 0 0 0 0 0 0 1.7588 3.3939 -0.2318 C 0 0 0 0 0 0 0 0 0 2.4783 3.5810 -1.5162 C 0 0 0 0 0 0 0 0 0 3.1123 4.6419 -1.7073 N 0 0 0 0 0 0 0 0 0 3.8353 4.7444 -2.7209 N 0 0 0 0 0 0 0 0 0 5.0900 4.2423 -2.6439 C 0 0 0 0 0 0 0 0 0 5.4402 3.8406 -1.5419 O 0 0 0 0 0 0 0 0 0 5.9859 4.1733 -3.8470 C 0 0 0 0 0 0 0 0 0 6.7995 2.9719 -3.5015 C 0 0 0 0 0 0 0 0 0 7.3337 1.9952 -3.1639 N 0 0 0 0 0 0 0 0 0 2.4433 2.4509 -2.5104 C 0 0 0 0 0 0 0 0 0 3.4613 1.7969 -2.4541 O 0 0 0 0 0 0 0 0 0 1.4102 2.1916 -3.3395 N 0 0 0 0 0 0 0 0 0 6.6655 -0.3827 -1.0838 H 0 0 0 0 0 0 0 0 0 9.0858 -0.2863 -0.9391 H 0 0 0 0 0 0 0 0 0 10.1922 1.6435 0.0418 H 0 0 0 0 0 0 0 0 0 8.9003 3.4977 0.9203 H 0 0 0 0 0 0 0 0 0 4.7253 5.3561 2.2199 H 0 0 0 0 0 0 0 0 0 3.6701 5.4479 0.8380 H 0 0 0 0 0 0 0 0 0 3.2742 4.4076 2.2054 H 0 0 0 0 0 0 0 0 0 0.7529 3.0203 -0.3661 H 0 0 0 0 0 0 0 0 0 1.7776 4.2676 0.4042 H 0 0 0 0 0 0 0 0 0 3.5006 5.1690 -3.5418 H 0 0 0 0 0 0 0 0 0 5.3956 3.9341 -4.7218 H 0 0 0 0 0 0 0 0 0 6.5693 5.0633 -4.0398 H 0 0 0 0 0 0 0 0 0 1.4501 1.4403 -3.9556 H 0 0 0 0 0 0 0 0 0 0.6099 2.7474 -3.3426 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 14 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 3 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 2 7 2 11 2 M END > 635542 > K $$$$ 635544 1016 111283D 635544 44 46 0 2 V2000 1.0655 11.3066 4.4171 C 0 0 0 0 0 0 0 0 0 0.8929 11.7555 5.7183 C 0 0 0 0 0 0 0 0 0 1.9482 11.7044 6.6190 C 0 0 0 0 0 0 0 0 0 3.1852 11.2036 6.2310 C 0 0 0 0 0 0 0 0 0 3.3754 10.7489 4.9247 C 0 0 0 0 0 0 0 0 0 2.3046 10.8060 4.0162 C 0 0 0 0 0 0 0 0 0 2.5032 10.3607 2.7307 N 0 2 0 0 0 0 0 0 0 1.5192 10.4186 1.9402 O 0 0 0 0 0 0 0 0 0 3.7131 9.8666 2.2855 C 0 0 0 0 0 0 0 0 0 4.7924 9.7932 3.1863 C 0 0 0 0 0 0 0 0 0 4.5832 10.2391 4.4830 N 0 2 0 0 0 0 0 0 0 5.5421 10.1784 5.3082 O 0 0 0 0 0 0 0 0 0 6.1668 9.2513 2.8105 C 0 0 0 0 0 0 0 0 0 3.8727 9.4223 0.8468 C 0 0 0 0 0 0 0 0 0 4.9319 8.9073 0.6119 O 0 0 0 0 0 0 0 0 0 2.8387 9.5830 -0.2443 C 0 0 0 0 0 0 0 0 0 2.4248 11.0050 -0.5444 C 0 0 0 0 0 0 0 0 0 1.5577 11.1906 -1.4214 N 0 0 0 0 0 0 0 0 0 0.8875 10.0697 -1.9522 O 0 0 0 0 0 0 0 0 0 3.0248 12.1781 0.1871 C 0 0 0 0 0 0 0 0 0 3.5343 11.9280 1.2594 O 0 0 0 0 0 0 0 0 0 3.0167 13.4458 -0.2891 N 0 0 0 0 0 0 0 0 0 3.3837 14.5629 0.4133 C 0 0 0 0 0 0 0 0 0 3.2188 14.7339 1.7901 C 0 0 0 0 0 0 0 0 0 3.6630 15.8960 2.4086 C 0 0 0 0 0 0 0 0 0 3.9605 15.5944 -0.3216 C 0 0 0 0 0 0 0 0 0 4.4094 16.7534 0.2969 C 0 0 0 0 0 0 0 0 0 4.2692 16.9007 1.6697 C 0 0 0 0 0 0 0 0 0 4.8396 18.3240 2.4886 Cl 0 0 0 0 0 0 0 0 0 5.1429 18.0044 -0.6603 Cl 0 0 0 0 0 0 0 0 0 2.4611 13.5454 2.8225 Cl 0 0 0 0 0 0 0 0 0 0.2483 11.3550 3.7512 H 0 0 0 0 0 0 0 0 0 -0.0423 12.1372 6.0252 H 0 0 0 0 0 0 0 0 0 1.8016 12.0507 7.6051 H 0 0 0 0 0 0 0 0 0 3.9634 11.1777 6.9423 H 0 0 0 0 0 0 0 0 0 6.8992 9.4586 3.5790 H 0 0 0 0 0 0 0 0 0 6.1270 8.1764 2.6814 H 0 0 0 0 0 0 0 0 0 6.5395 9.6953 1.8972 H 0 0 0 0 0 0 0 0 0 3.2544 9.1750 -1.1568 H 0 0 0 0 0 0 0 0 0 1.9618 8.9945 -0.0121 H 0 0 0 0 0 0 0 0 0 0.2986 10.3527 -2.6585 H 0 0 0 0 0 0 0 0 0 2.7368 13.5760 -1.2156 H 0 0 0 0 0 0 0 0 0 3.5438 16.0260 3.4445 H 0 0 0 0 0 0 0 0 0 4.0661 15.5030 -1.3637 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 14 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 31 1 0 0 0 0 24 25 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 2 7 2 11 2 M END > 635544 > K $$$$ 635563 1016 111283D 635563 22 23 0 2 V2000 2.4204 1.3168 0.7342 C 0 0 0 0 0 0 0 0 0 2.4023 -0.0516 0.5022 C 0 0 0 0 0 0 0 0 0 1.2024 -0.7414 0.3843 C 0 0 0 0 0 0 0 0 0 1.3397 -2.0783 0.1571 O 0 0 0 0 0 0 0 0 0 0.0010 -0.0396 0.5033 C 0 0 0 0 0 0 0 0 0 -1.2324 -0.6052 0.4057 N 0 3 0 0 0 0 0 0 0 -1.4213 -1.8185 0.1777 O 0 0 0 0 0 0 0 0 0 -2.3972 0.2569 0.5775 O 0 5 0 0 0 0 0 0 0 0.0250 1.3306 0.7371 C 0 0 0 0 0 0 0 0 0 1.2270 2.0169 0.8521 C 0 0 0 0 0 0 0 0 0 1.2523 3.4992 1.1005 C 0 0 0 0 0 0 0 0 0 0.1928 4.3121 1.2377 N 0 0 0 0 0 0 0 0 0 0.6605 5.5506 1.4440 C 0 0 0 0 0 0 0 0 0 -0.3339 7.0056 1.6845 S 0 0 0 0 0 0 0 0 0 2.0046 5.5163 1.4396 N 0 0 0 0 0 0 0 0 0 2.3735 4.2341 1.2227 N 0 0 0 0 0 0 0 0 0 3.3394 1.8202 0.8203 H 0 0 0 0 0 0 0 0 0 3.3075 -0.5774 0.4136 H 0 0 0 0 0 0 0 0 0 0.5166 -2.5429 0.0885 H 0 0 0 0 0 0 0 0 0 -0.8849 1.8480 0.8271 H 0 0 0 0 0 0 0 0 0 -0.7419 4.0611 1.1969 H 0 0 0 0 0 0 0 0 0 -1.5941 6.5459 1.6034 H 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 7 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 2 6 1 8 -1 M END > 635563 > K $$$$ 635824 1016 111283D 635824 55 57 1 1 V2000 -0.7780 4.5463 -1.9833 C 0 0 0 0 0 0 0 0 0 -1.6861 4.4269 -3.0293 C 0 0 0 0 0 0 0 0 0 -2.5435 5.4764 -3.3304 C 0 0 0 0 0 0 0 0 0 -2.4904 6.6466 -2.5858 C 0 0 0 0 0 0 0 0 0 -1.5899 6.7606 -1.5344 C 0 0 0 0 0 0 0 0 0 -0.7361 5.7071 -1.2181 C 0 0 0 0 0 0 0 0 0 0.1669 3.4210 -1.6709 C 0 0 0 0 0 0 0 0 0 0.1555 5.7333 -0.1845 O 0 0 0 0 0 0 0 0 0 0.5724 6.9892 0.3197 C 0 0 0 0 0 0 0 0 0 1.7063 6.7208 1.3034 C 0 0 1 0 0 0 0 0 0 2.8630 6.0463 0.5639 C 0 0 0 0 0 0 0 0 0 2.1971 7.9489 1.8071 O 0 0 0 0 0 0 0 0 0 2.9892 7.7666 2.8927 C 0 0 0 0 0 0 0 0 0 2.6805 6.9498 3.7270 O 0 0 0 0 0 0 0 0 0 4.7508 8.6755 4.2270 C 0 0 0 0 0 0 0 0 0 4.0647 8.5881 5.4352 C 0 0 0 0 0 0 0 0 0 4.7284 8.7672 6.6414 C 0 0 0 0 0 0 0 0 0 6.0898 9.0378 6.6487 C 0 0 0 0 0 0 0 0 0 6.7815 9.1326 5.4484 C 0 0 0 0 0 0 0 0 0 6.1125 8.9550 4.2436 C 0 0 0 0 0 0 0 0 0 3.4089 7.0291 -0.2955 O 0 0 0 0 0 0 0 0 0 4.6085 6.6882 -0.8273 C 0 0 0 0 0 0 0 0 0 5.0577 5.5788 -0.6703 O 0 0 0 0 0 0 0 0 0 5.2576 7.6509 -1.5279 N 0 0 0 0 0 0 0 0 0 6.3939 7.4846 -2.2701 C 0 0 0 0 0 0 0 0 0 7.0021 8.6215 -2.7938 C 0 0 0 0 0 0 0 0 0 8.1582 8.5264 -3.5579 C 0 0 0 0 0 0 0 0 0 8.7236 7.2835 -3.8064 C 0 0 0 0 0 0 0 0 0 8.1272 6.1418 -3.2899 C 0 0 0 0 0 0 0 0 0 6.9694 6.2432 -2.5296 C 0 0 0 0 0 0 0 0 0 4.1202 8.4976 3.0305 N 0 0 0 0 0 0 0 0 0 -1.7266 3.5431 -3.5960 H 0 0 0 0 0 0 0 0 0 -3.2304 5.3850 -4.1201 H 0 0 0 0 0 0 0 0 0 -3.1320 7.4456 -2.8173 H 0 0 0 0 0 0 0 0 0 -1.5624 7.6507 -0.9805 H 0 0 0 0 0 0 0 0 0 1.1522 3.8178 -1.4741 H 0 0 0 0 0 0 0 0 0 -0.1843 2.8949 -0.7956 H 0 0 0 0 0 0 0 0 0 0.2309 2.7315 -2.5002 H 0 0 0 0 0 0 0 0 0 0.9387 7.6317 -0.4699 H 0 0 0 0 0 0 0 0 0 -0.2333 7.4803 0.8456 H 0 0 0 0 0 0 0 0 0 1.3195 6.0693 2.0760 H 0 0 0 0 0 0 0 0 0 3.5951 5.7300 1.2951 H 0 0 0 0 0 0 0 0 0 2.5164 5.1827 0.0140 H 0 0 0 0 0 0 0 0 0 3.0342 8.3877 5.4450 H 0 0 0 0 0 0 0 0 0 4.1991 8.6978 7.5462 H 0 0 0 0 0 0 0 0 0 6.5939 9.1703 7.5607 H 0 0 0 0 0 0 0 0 0 7.8114 9.3384 5.4522 H 0 0 0 0 0 0 0 0 0 6.6413 9.0300 3.3396 H 0 0 0 0 0 0 0 0 0 4.8571 8.5317 -1.4819 H 0 0 0 0 0 0 0 0 0 6.5849 9.5678 -2.6111 H 0 0 0 0 0 0 0 0 0 8.6049 9.3938 -3.9475 H 0 0 0 0 0 0 0 0 0 9.5985 7.2065 -4.3828 H 0 0 0 0 0 0 0 0 0 8.5512 5.1985 -3.4737 H 0 0 0 0 0 0 0 0 0 6.5394 5.3632 -2.1578 H 0 0 0 0 0 0 0 0 0 4.4831 8.9015 2.2287 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 1 0 0 0 10 11 1 6 0 0 0 10 41 1 0 0 0 0 11 21 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 15 31 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END > 635824 > K $$$$ 635833 1016 111283D 635833 49 51 1 1 V2000 6.2112 9.7062 -6.7685 C 0 0 0 0 0 0 0 0 0 7.4959 9.5275 -7.2634 C 0 0 0 0 0 0 0 0 0 8.0618 8.2605 -7.2635 C 0 0 0 0 0 0 0 0 0 7.3415 7.1826 -6.7661 C 0 0 0 0 0 0 0 0 0 6.0560 7.3521 -6.2612 C 0 0 0 0 0 0 0 0 0 5.4938 8.6254 -6.2706 C 0 0 0 0 0 0 0 0 0 3.8521 8.9263 -5.6563 S 0 0 0 0 0 0 0 0 0 3.2970 7.3753 -4.8904 C 0 0 1 0 0 0 0 0 0 4.2012 6.2065 -5.1726 C 0 0 0 0 0 0 0 0 0 5.4148 6.2466 -5.7817 N 0 0 0 0 0 0 0 0 0 3.8293 5.1130 -4.8247 O 0 0 0 0 0 0 0 0 0 3.2236 7.5446 -3.3733 C 0 0 1 0 0 0 0 0 0 2.3331 8.6508 -2.9077 C 0 0 0 0 0 0 0 0 0 1.5522 9.1768 -3.6673 O 0 0 0 0 0 0 0 0 0 2.4677 9.0489 -1.4643 C 0 0 0 0 0 0 0 0 0 1.7548 9.8851 -0.9608 O 0 0 0 0 0 0 0 0 0 3.4362 8.4235 -0.7366 O 0 0 0 0 0 0 0 0 0 3.3208 8.6347 0.6552 C 0 0 0 0 0 0 0 0 0 2.5807 6.3710 -2.7018 C 0 0 0 0 0 0 0 0 0 1.3852 6.2388 -2.8053 O 0 0 0 0 0 0 0 0 0 3.3071 5.4707 -1.9909 N 0 0 0 0 0 0 0 0 0 2.7454 4.5885 -1.1106 C 0 0 0 0 0 0 0 0 0 1.5433 4.8935 -0.4776 C 0 0 0 0 0 0 0 0 0 0.9660 4.0049 0.4165 C 0 0 0 0 0 0 0 0 0 1.6033 2.8064 0.6976 C 0 0 0 0 0 0 0 0 0 2.8101 2.4921 0.0842 C 0 0 0 0 0 0 0 0 0 3.3748 3.3743 -0.8372 C 0 0 0 0 0 0 0 0 0 4.6621 3.0313 -1.5461 C 0 0 0 0 0 0 0 0 0 3.4717 1.1894 0.4420 C 0 0 0 0 0 0 0 0 0 5.7799 10.6639 -6.7702 H 0 0 0 0 0 0 0 0 0 8.0376 10.3469 -7.6365 H 0 0 0 0 0 0 0 0 0 9.0327 8.1168 -7.6387 H 0 0 0 0 0 0 0 0 0 7.7776 6.2272 -6.7726 H 0 0 0 0 0 0 0 0 0 2.3127 7.1452 -5.2723 H 0 0 0 0 0 0 0 0 0 5.8548 5.3863 -5.8751 H 0 0 0 0 0 0 0 0 0 4.2181 7.7030 -2.9820 H 0 0 0 0 0 0 0 0 0 2.3528 8.3069 1.0092 H 0 0 0 0 0 0 0 0 0 4.0829 8.0561 1.1573 H 0 0 0 0 0 0 0 0 0 3.4595 9.6795 0.8952 H 0 0 0 0 0 0 0 0 0 4.2666 5.4595 -2.1218 H 0 0 0 0 0 0 0 0 0 1.0585 5.8046 -0.6686 H 0 0 0 0 0 0 0 0 0 0.0518 4.2388 0.8784 H 0 0 0 0 0 0 0 0 0 1.1659 2.1379 1.3793 H 0 0 0 0 0 0 0 0 0 5.4817 3.5339 -1.0536 H 0 0 0 0 0 0 0 0 0 4.8489 1.9690 -1.5470 H 0 0 0 0 0 0 0 0 0 4.6157 3.3506 -2.5774 H 0 0 0 0 0 0 0 0 0 3.4595 0.5329 -0.4156 H 0 0 0 0 0 0 0 0 0 4.4921 1.3735 0.7447 H 0 0 0 0 0 0 0 0 0 2.9537 0.7049 1.2568 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 6 0 0 0 8 34 1 1 0 0 0 9 11 2 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 12 19 1 0 0 0 0 12 13 1 6 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 27 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END > 635833 > K $$$$ 635968 1016 111283D 635968 21 21 1 1 V2000 0.1357 1.4599 -0.0996 C 0 0 1 0 0 0 0 0 0 0.4839 0.0160 -0.2650 C 0 0 0 0 0 0 0 0 0 -0.3477 -0.8573 -0.3347 O 0 0 0 0 0 0 0 0 0 1.8153 -0.2254 -0.3326 O 0 0 0 0 0 0 0 0 0 2.3131 1.0290 -0.1826 C 0 0 0 0 0 0 0 0 0 1.4783 1.9440 -0.0072 N 0 0 0 0 0 0 0 0 0 3.7829 1.3023 -0.2246 C 0 0 0 0 0 0 0 0 0 -0.6131 2.0409 -1.3069 C 0 0 0 0 0 0 0 0 0 -0.8273 3.5445 -1.1192 C 0 0 0 0 0 0 0 0 0 0.1107 1.7863 -2.6341 C 0 0 0 0 0 0 0 0 0 -0.4062 1.6097 0.8226 H 0 0 0 0 0 0 0 0 0 4.2900 0.4550 -0.6608 H 0 0 0 0 0 0 0 0 0 3.9692 2.1821 -0.8222 H 0 0 0 0 0 0 0 0 0 4.1452 1.4631 0.7797 H 0 0 0 0 0 0 0 0 0 -1.5835 1.5667 -1.3596 H 0 0 0 0 0 0 0 0 0 -1.3926 3.7272 -0.2168 H 0 0 0 0 0 0 0 0 0 0.1253 4.0503 -1.0478 H 0 0 0 0 0 0 0 0 0 -1.3757 3.9456 -1.9595 H 0 0 0 0 0 0 0 0 0 -0.4564 2.2104 -3.4500 H 0 0 0 0 0 0 0 0 0 1.0935 2.2353 -2.6175 H 0 0 0 0 0 0 0 0 0 0.2120 0.7241 -2.8048 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 1 8 1 6 0 0 0 1 11 1 1 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 M END > 635968 > K $$$$ 635975 1016 111283D 635975 33 34 1 1 V2000 0.0406 1.5846 0.7803 C 0 0 0 0 0 0 0 0 0 0.0095 0.2031 0.9175 C 0 0 0 0 0 0 0 0 0 1.0480 -0.5901 0.4366 C 0 0 0 0 0 0 0 0 0 2.1293 0.0469 -0.1678 C 0 0 0 0 0 0 0 0 0 2.1637 1.4290 -0.3005 C 0 0 0 0 0 0 0 0 0 1.1133 2.2140 0.1660 C 0 0 0 0 0 0 0 0 0 0.9727 -2.1022 0.5831 C 0 0 0 0 0 0 0 0 0 2.1163 -2.8569 -0.1123 C 0 0 0 0 0 0 0 0 0 1.0152 -2.4715 2.0715 C 0 0 0 0 0 0 0 0 0 -0.3358 -2.6193 -0.0317 C 0 0 0 0 0 0 0 0 0 1.0432 3.5737 0.0703 O 0 0 0 0 0 0 0 0 0 2.1552 4.2319 -0.4943 C 0 0 1 0 0 0 0 0 0 2.1805 5.7014 -0.1134 C 0 0 0 0 0 0 0 0 0 3.2186 5.2894 0.9176 C 0 0 0 0 0 0 0 0 0 3.2997 4.0206 0.3034 O 0 0 0 0 0 0 0 0 0 -0.7543 2.1658 1.1438 H 0 0 0 0 0 0 0 0 0 -0.8157 -0.2384 1.3926 H 0 0 0 0 0 0 0 0 0 2.9410 -0.5063 -0.5361 H 0 0 0 0 0 0 0 0 0 2.9960 1.8733 -0.7591 H 0 0 0 0 0 0 0 0 0 1.9907 -3.9238 0.0069 H 0 0 0 0 0 0 0 0 0 2.1245 -2.6289 -1.1687 H 0 0 0 0 0 0 0 0 0 3.0678 -2.5787 0.3175 H 0 0 0 0 0 0 0 0 0 1.9388 -2.1240 2.5121 H 0 0 0 0 0 0 0 0 0 0.1879 -2.0202 2.5996 H 0 0 0 0 0 0 0 0 0 0.9541 -3.5437 2.1934 H 0 0 0 0 0 0 0 0 0 -0.3869 -2.3399 -1.0744 H 0 0 0 0 0 0 0 0 0 -0.3869 -3.6961 0.0435 H 0 0 0 0 0 0 0 0 0 -1.1929 -2.2073 0.4799 H 0 0 0 0 0 0 0 0 0 2.3019 4.0514 -1.5512 H 0 0 0 0 0 0 0 0 0 2.5956 6.3214 -0.8938 H 0 0 0 0 0 0 0 0 0 1.2508 6.0594 0.3036 H 0 0 0 0 0 0 0 0 0 4.1364 5.8581 0.8656 H 0 0 0 0 0 0 0 0 0 2.8139 5.2242 1.9184 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 15 1 1 0 0 0 12 13 1 0 0 0 0 12 29 1 6 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 M END > 635975 > K $$$$ 636084 1016 111283D 636084 42 43 1 1 V2000 4.7133 0.4595 2.4831 C 0 0 0 0 0 0 0 0 0 3.3374 -0.1622 2.7186 C 0 0 1 0 0 0 0 0 0 3.3748 -1.6787 2.4734 C 0 0 0 0 0 0 0 0 0 2.0103 -2.3334 2.7326 C 0 0 1 0 0 0 0 0 0 1.5702 -2.0159 4.1706 C 0 0 0 0 0 0 0 0 0 1.4823 -0.5050 4.3991 C 0 0 0 0 0 0 0 0 0 2.8434 0.1422 4.1373 C 0 0 0 0 0 0 0 0 0 0.9977 -1.8557 1.7212 C 0 0 0 0 0 0 0 0 0 1.3579 -1.1204 0.8336 O 0 0 0 0 0 0 0 0 0 -0.4520 -2.2443 1.7563 C 0 0 0 0 0 0 0 0 0 -0.8559 -3.3089 2.4745 C 0 0 0 0 0 0 0 0 0 -2.2752 -3.6193 2.8806 C 0 0 0 0 0 0 0 0 0 -2.6681 -4.9467 3.0138 C 0 0 0 0 0 0 0 0 0 -3.9697 -5.2637 3.3812 C 0 0 0 0 0 0 0 0 0 -4.4494 -6.9296 3.5335 Cl 0 0 0 0 0 0 0 0 0 -4.8887 -4.2527 3.6270 C 0 0 0 0 0 0 0 0 0 -4.5014 -2.9250 3.5063 C 0 0 0 0 0 0 0 0 0 -3.2006 -2.6111 3.1340 C 0 0 0 0 0 0 0 0 0 -1.3469 -1.3547 0.9348 C 0 0 0 0 0 0 0 0 0 -1.0493 -0.1887 0.8144 O 0 0 0 0 0 0 0 0 0 -2.5881 -1.8760 0.2580 C 0 0 0 0 0 0 0 0 0 -3.4470 -1.0420 -0.3812 O 0 0 0 0 0 0 0 0 0 -2.8443 -3.0884 0.2738 O 0 0 0 0 0 0 0 0 0 4.6597 1.5267 2.6430 H 0 0 0 0 0 0 0 0 0 5.4386 0.0338 3.1614 H 0 0 0 0 0 0 0 0 0 5.0259 0.2755 1.4653 H 0 0 0 0 0 0 0 0 0 2.6555 0.2988 2.0178 H 0 0 0 0 0 0 0 0 0 3.6724 -1.8723 1.4519 H 0 0 0 0 0 0 0 0 0 4.1074 -2.1265 3.1303 H 0 0 0 0 0 0 0 0 0 2.1223 -3.4023 2.6203 H 0 0 0 0 0 0 0 0 0 0.6094 -2.4570 4.3880 H 0 0 0 0 0 0 0 0 0 2.2870 -2.4352 4.8628 H 0 0 0 0 0 0 0 0 0 0.7433 -0.0760 3.7364 H 0 0 0 0 0 0 0 0 0 1.1811 -0.3098 5.4182 H 0 0 0 0 0 0 0 0 0 3.5558 -0.2375 4.8560 H 0 0 0 0 0 0 0 0 0 2.7545 1.2114 4.2670 H 0 0 0 0 0 0 0 0 0 -0.1225 -3.9906 2.7911 H 0 0 0 0 0 0 0 0 0 -1.9822 -5.7214 2.8342 H 0 0 0 0 0 0 0 0 0 -5.8735 -4.4926 3.9036 H 0 0 0 0 0 0 0 0 0 -5.1927 -2.1570 3.6973 H 0 0 0 0 0 0 0 0 0 -2.9248 -1.6014 3.0496 H 0 0 0 0 0 0 0 0 0 -4.1511 -1.5732 -0.7337 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 6 0 0 0 2 27 1 1 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 6 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 19 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 42 1 0 0 0 0 M END > 636084 > K $$$$ 636132 1016 111283D 636132 38 39 1 1 V2000 -1.6833 2.3692 0.5093 C 0 0 0 0 0 0 0 0 0 -2.7377 1.5470 0.8941 C 0 0 0 0 0 0 0 0 0 -2.6048 0.6837 1.9727 C 0 0 0 0 0 0 0 0 0 -1.4098 0.6368 2.6737 C 0 0 0 0 0 0 0 0 0 -0.3592 1.4582 2.2927 C 0 0 0 0 0 0 0 0 0 -0.4838 2.3414 1.2214 C 0 0 0 0 0 0 0 0 0 0.6735 3.2454 0.8523 C 0 0 1 0 0 0 0 0 0 1.3495 3.7637 2.0856 C 0 0 0 0 0 0 0 0 0 2.4671 3.4118 2.3911 O 0 0 0 0 0 0 0 0 0 0.5882 4.7353 2.9374 C 0 0 0 0 0 0 0 0 0 -0.5161 5.0782 2.5866 O 0 0 0 0 0 0 0 0 0 1.1169 5.2242 4.0875 N 0 0 0 0 0 0 0 0 0 0.5097 6.2019 4.8151 C 0 0 0 0 0 0 0 0 0 -0.0491 7.3155 4.1950 C 0 0 0 0 0 0 0 0 0 -0.6703 8.3026 4.9481 C 0 0 0 0 0 0 0 0 0 -0.7336 8.1782 6.3291 C 0 0 0 0 0 0 0 0 0 -0.1725 7.0713 6.9523 C 0 0 0 0 0 0 0 0 0 0.4493 6.0814 6.2001 C 0 0 0 0 0 0 0 0 0 -1.8837 3.2720 -0.6787 C 0 0 0 0 0 0 0 0 0 1.6585 2.4928 0.0098 C 0 0 0 0 0 0 0 0 0 2.4236 1.9080 -0.6443 N 0 0 0 0 0 0 0 0 0 1.0483 4.8876 6.8926 C 0 0 0 0 0 0 0 0 0 -3.6474 1.5723 0.3686 H 0 0 0 0 0 0 0 0 0 -3.4045 0.0665 2.2588 H 0 0 0 0 0 0 0 0 0 -1.2975 -0.0163 3.4899 H 0 0 0 0 0 0 0 0 0 0.5364 1.3974 2.8367 H 0 0 0 0 0 0 0 0 0 0.3192 4.0984 0.2895 H 0 0 0 0 0 0 0 0 0 1.9571 4.8510 4.3973 H 0 0 0 0 0 0 0 0 0 -0.0015 7.4169 3.1507 H 0 0 0 0 0 0 0 0 0 -1.0906 9.1403 4.4733 H 0 0 0 0 0 0 0 0 0 -1.2059 8.9212 6.9017 H 0 0 0 0 0 0 0 0 0 -0.2213 6.9841 7.9977 H 0 0 0 0 0 0 0 0 0 -2.1322 4.2643 -0.3316 H 0 0 0 0 0 0 0 0 0 -0.9885 3.3161 -1.2815 H 0 0 0 0 0 0 0 0 0 -2.6918 2.9095 -1.2977 H 0 0 0 0 0 0 0 0 0 2.0813 5.0997 7.1281 H 0 0 0 0 0 0 0 0 0 0.5096 4.6697 7.8022 H 0 0 0 0 0 0 0 0 0 1.0032 4.0150 6.2572 H 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 20 1 6 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 18 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 3 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END > 636132 > K $$$$ 636786 1016 111283D 636786 36 38 0 1 V2000 3.5592 1.7896 1.8891 C 0 0 0 0 0 0 0 0 0 4.3091 0.6275 2.0206 C 0 0 0 0 0 0 0 0 0 5.5545 0.5284 1.4209 C 0 0 0 0 0 0 0 0 0 6.0538 1.5935 0.6832 C 0 0 0 0 0 0 0 0 0 4.0584 2.8697 1.1618 C 0 0 0 0 0 0 0 0 0 5.3104 2.7685 0.5491 C 0 0 0 0 0 0 0 0 0 7.3021 1.4689 0.0835 C 0 0 0 0 0 0 0 0 0 7.8267 2.5150 -0.6614 C 0 0 0 0 0 0 0 0 0 7.0999 3.6876 -0.8023 C 0 0 0 0 0 0 0 0 0 5.8557 3.8112 -0.1989 C 0 0 0 0 0 0 0 0 0 2.3409 4.5182 1.9658 C 0 0 0 0 0 0 0 0 0 1.5060 5.7467 1.7443 C 0 0 0 0 0 0 0 0 0 1.5894 6.3192 0.6830 O 0 0 0 0 0 0 0 0 0 2.3314 1.8707 2.4706 O 0 0 0 0 0 0 0 0 0 3.2358 4.1348 1.0445 C 0 0 0 0 0 0 0 0 0 0.5688 6.2972 2.7868 C 0 0 0 0 0 0 0 0 0 -0.2195 7.3912 2.4487 C 0 0 0 0 0 0 0 0 0 -1.0983 7.9459 3.3719 C 0 0 0 0 0 0 0 0 0 -1.1889 7.3994 4.6443 C 0 0 0 0 0 0 0 0 0 -0.4088 6.3044 4.9912 C 0 0 0 0 0 0 0 0 0 0.4672 5.7542 4.0643 C 0 0 0 0 0 0 0 0 0 -1.8807 9.0152 3.0718 O 0 0 0 0 0 0 0 0 0 3.9337 -0.1807 2.5756 H 0 0 0 0 0 0 0 0 0 6.1141 -0.3546 1.5286 H 0 0 0 0 0 0 0 0 0 7.8562 0.5824 0.1901 H 0 0 0 0 0 0 0 0 0 8.7689 2.4199 -1.1161 H 0 0 0 0 0 0 0 0 0 7.4910 4.4835 -1.3660 H 0 0 0 0 0 0 0 0 0 5.3406 4.7156 -0.3248 H 0 0 0 0 0 0 0 0 0 2.2208 3.9645 2.8465 H 0 0 0 0 0 0 0 0 0 2.1065 1.0627 2.9198 H 0 0 0 0 0 0 0 0 0 3.3652 4.7530 0.2061 H 0 0 0 0 0 0 0 0 0 -0.1515 7.8037 1.4851 H 0 0 0 0 0 0 0 0 0 -1.8513 7.8197 5.3421 H 0 0 0 0 0 0 0 0 0 -0.4817 5.8928 5.9552 H 0 0 0 0 0 0 0 0 0 1.0481 4.9265 4.3446 H 0 0 0 0 0 0 0 0 0 -1.7323 9.2981 2.1757 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 5 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 15 1 0 0 0 0 5 6 2 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > 636786 > K $$$$ 636817 1016 111283D 636817 37 39 1 1 V2000 -0.1443 1.8286 0.1518 S 0 0 0 0 0 0 0 0 0 0.0911 0.0726 0.3712 C 0 0 0 0 0 0 0 0 0 1.2561 -0.6572 0.1285 C 0 0 0 0 0 0 0 0 0 1.2389 -2.0348 0.3242 C 0 0 0 0 0 0 0 0 0 0.1078 -2.6850 0.7977 C 0 0 0 0 0 0 0 0 0 -1.0402 -1.9531 1.0586 C 0 0 0 0 0 0 0 0 0 -1.0423 -0.5838 0.8360 C 0 0 0 0 0 0 0 0 0 2.4728 -0.2016 -0.2836 N 0 0 0 0 0 0 0 0 0 2.9359 0.8079 -0.8674 C 0 0 0 0 0 0 0 0 0 2.1568 2.0309 -1.2717 C 0 0 0 0 0 0 0 0 0 1.4433 2.6602 -0.0824 C 0 0 1 0 0 0 0 0 0 1.1348 4.1317 -0.3619 C 0 0 0 0 0 0 0 0 0 4.4161 0.7275 -1.1569 C 0 0 0 0 0 0 0 0 0 5.0194 1.4611 -2.1737 C 0 0 0 0 0 0 0 0 0 6.3885 1.3726 -2.3898 C 0 0 0 0 0 0 0 0 0 7.1793 0.5392 -1.6038 C 0 0 0 0 0 0 0 0 0 8.5283 0.3846 -1.7414 O 0 0 0 0 0 0 0 0 0 6.5745 -0.2006 -0.5977 C 0 0 0 0 0 0 0 0 0 5.2067 -0.1121 -0.3795 C 0 0 0 0 0 0 0 0 0 9.1789 1.1091 -2.7663 C 0 0 0 0 0 0 0 0 0 2.1001 -2.5983 0.1109 H 0 0 0 0 0 0 0 0 0 0.1208 -3.7235 0.9580 H 0 0 0 0 0 0 0 0 0 -1.9023 -2.4309 1.4217 H 0 0 0 0 0 0 0 0 0 -1.9159 -0.0324 1.0238 H 0 0 0 0 0 0 0 0 0 2.8565 2.7755 -1.6172 H 0 0 0 0 0 0 0 0 0 1.4603 1.8225 -2.0698 H 0 0 0 0 0 0 0 0 0 2.0473 2.5893 0.8121 H 0 0 0 0 0 0 0 0 0 0.5847 4.5566 0.4651 H 0 0 0 0 0 0 0 0 0 2.0520 4.6885 -0.4934 H 0 0 0 0 0 0 0 0 0 0.5408 4.2107 -1.2611 H 0 0 0 0 0 0 0 0 0 4.4493 2.0884 -2.7926 H 0 0 0 0 0 0 0 0 0 6.8190 1.9439 -3.1564 H 0 0 0 0 0 0 0 0 0 7.1609 -0.8316 0.0022 H 0 0 0 0 0 0 0 0 0 4.7701 -0.6855 0.3848 H 0 0 0 0 0 0 0 0 0 8.7822 0.8378 -3.7347 H 0 0 0 0 0 0 0 0 0 9.0654 2.1720 -2.6060 H 0 0 0 0 0 0 0 0 0 10.2310 0.8675 -2.7454 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 9 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 6 0 0 0 11 27 1 1 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 M END > 636817 > K $$$$ 637578 1016 111283D 637578 40 43 0 1 V2000 3.4809 -6.0757 3.0814 C 0 0 0 0 0 0 0 0 0 2.7477 -5.7890 1.9393 C 0 0 0 0 0 0 0 0 0 2.0738 -4.5780 1.8242 C 0 0 0 0 0 0 0 0 0 1.3426 -4.3275 0.6707 C 0 0 0 0 0 0 0 0 0 0.6690 -3.1231 0.5415 C 0 0 0 0 0 0 0 0 0 0.7532 -2.2218 1.5431 N 0 0 0 0 0 0 0 0 0 1.4492 -2.4217 2.6858 C 0 0 0 0 0 0 0 0 0 2.1304 -3.6309 2.8492 C 0 0 0 0 0 0 0 0 0 2.8666 -3.9369 3.9932 C 0 0 0 0 0 0 0 0 0 3.5368 -5.1475 4.1103 C 0 0 0 0 0 0 0 0 0 -0.1435 -2.8138 -0.6853 C 0 0 0 0 0 0 0 0 0 -0.8172 -1.6038 -0.7955 C 0 0 0 0 0 0 0 0 0 -1.5607 -1.3363 -1.9369 C 0 0 0 0 0 0 0 0 0 -1.6276 -2.2760 -2.9563 C 0 0 0 0 0 0 0 0 0 -0.9455 -3.4767 -2.8172 C 0 0 0 0 0 0 0 0 0 -0.2257 -3.7150 -1.6959 N 0 0 0 0 0 0 0 0 0 1.4512 -1.4248 3.6256 N 0 0 0 0 0 0 0 0 0 0.7658 -0.2442 3.5259 C 0 0 0 0 0 0 0 0 0 -0.0089 -0.0502 2.5618 N 0 0 0 0 0 0 0 0 0 0.9162 0.8512 4.5639 C 0 0 0 0 0 0 0 0 0 1.8503 0.7884 5.5932 C 0 0 0 0 0 0 0 0 0 1.9201 1.8141 6.5264 C 0 0 0 0 0 0 0 0 0 1.0626 2.9009 6.4331 C 0 0 0 0 0 0 0 0 0 0.1481 2.9493 5.3914 C 0 0 0 0 0 0 0 0 0 0.1084 1.9408 4.4904 N 0 0 0 0 0 0 0 0 0 3.9906 -6.9905 3.1666 H 0 0 0 0 0 0 0 0 0 2.7066 -6.4955 1.1624 H 0 0 0 0 0 0 0 0 0 1.2966 -5.0404 -0.0995 H 0 0 0 0 0 0 0 0 0 2.9339 -3.2642 4.7933 H 0 0 0 0 0 0 0 0 0 4.0873 -5.3616 4.9792 H 0 0 0 0 0 0 0 0 0 -0.7655 -0.8952 -0.0216 H 0 0 0 0 0 0 0 0 0 -2.0721 -0.4233 -2.0282 H 0 0 0 0 0 0 0 0 0 -2.1877 -2.0810 -3.8229 H 0 0 0 0 0 0 0 0 0 -0.9865 -4.1995 -3.5782 H 0 0 0 0 0 0 0 0 0 1.9728 -1.5571 4.4228 H 0 0 0 0 0 0 0 0 0 -0.4940 0.7837 2.4650 H 0 0 0 0 0 0 0 0 0 2.5087 -0.0226 5.6792 H 0 0 0 0 0 0 0 0 0 2.6233 1.7673 7.3055 H 0 0 0 0 0 0 0 0 0 1.1049 3.6763 7.1402 H 0 0 0 0 0 0 0 0 0 -0.5105 3.7628 5.3006 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 7 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 20 25 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 M END > 637578 > K $$$$ 637680 1016 111283D 637680 42 44 1 1 V2000 1.6948 3.4825 -3.5629 C 0 0 0 0 0 0 0 0 0 0.9763 2.3290 -3.2811 C 0 0 0 0 0 0 0 0 0 1.4857 1.3928 -2.3898 C 0 0 0 0 0 0 0 0 0 2.7123 1.5923 -1.7641 C 0 0 0 0 0 0 0 0 0 3.4318 2.7434 -2.0739 C 0 0 0 0 0 0 0 0 0 2.9272 3.6859 -2.9594 C 0 0 0 0 0 0 0 0 0 5.0214 3.0612 -1.3612 S 0 0 0 0 0 0 0 0 0 5.0929 1.9598 0.0767 C 0 0 1 0 0 0 0 0 0 4.2232 0.7433 -0.0523 C 0 0 0 0 0 0 0 0 0 3.1460 0.6435 -0.8783 N 0 0 0 0 0 0 0 0 0 6.5684 1.6592 0.3433 C 0 0 0 0 0 0 0 0 0 7.1674 2.9859 0.7011 C 0 0 0 0 0 0 0 0 0 6.7018 3.5500 1.6613 O 0 0 0 0 0 0 0 0 0 8.1836 3.5612 0.0004 N 0 0 0 0 0 0 0 0 0 8.4707 4.8996 0.0541 C 0 0 0 0 0 0 0 0 0 9.7213 5.3518 -0.3671 C 0 0 0 0 0 0 0 0 0 10.0175 6.7118 -0.2906 C 0 0 0 0 0 0 0 0 0 9.0845 7.6204 0.1892 C 0 0 0 0 0 0 0 0 0 7.8368 7.1733 0.5946 C 0 0 0 0 0 0 0 0 0 7.5350 5.8216 0.5193 C 0 0 0 0 0 0 0 0 0 10.6080 4.4231 -0.8430 O 0 0 0 0 0 0 0 0 0 11.9711 4.7919 -0.9418 C 0 0 0 0 0 0 0 0 0 12.7860 3.5469 -1.2664 C 0 0 0 0 0 0 0 0 0 4.4814 -0.2209 0.6266 O 0 0 0 0 0 0 0 0 0 1.3099 4.1981 -4.2289 H 0 0 0 0 0 0 0 0 0 0.0469 2.1652 -3.7421 H 0 0 0 0 0 0 0 0 0 0.9336 0.5230 -2.1869 H 0 0 0 0 0 0 0 0 0 3.4806 4.5537 -3.1704 H 0 0 0 0 0 0 0 0 0 4.6842 2.4912 0.9238 H 0 0 0 0 0 0 0 0 0 2.6509 -0.1887 -0.8154 H 0 0 0 0 0 0 0 0 0 6.6808 0.9828 1.1779 H 0 0 0 0 0 0 0 0 0 7.0408 1.2417 -0.5341 H 0 0 0 0 0 0 0 0 0 8.7362 2.9977 -0.5645 H 0 0 0 0 0 0 0 0 0 10.9539 7.0703 -0.5965 H 0 0 0 0 0 0 0 0 0 9.3212 8.6423 0.2449 H 0 0 0 0 0 0 0 0 0 7.1219 7.8524 0.9569 H 0 0 0 0 0 0 0 0 0 6.5807 5.5076 0.8201 H 0 0 0 0 0 0 0 0 0 12.1122 5.5167 -1.7315 H 0 0 0 0 0 0 0 0 0 12.3264 5.1986 -0.0042 H 0 0 0 0 0 0 0 0 0 13.8327 3.8042 -1.3406 H 0 0 0 0 0 0 0 0 0 12.6512 2.8156 -0.4831 H 0 0 0 0 0 0 0 0 0 12.4495 3.1325 -2.2051 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 10 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 6 0 0 0 8 29 1 1 0 0 0 9 24 2 0 0 0 0 9 10 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > 637680 > K $$$$ 637729 1016 111283D 637729 29 31 0 1 V2000 1.3516 0.7338 3.2767 C 0 0 0 0 0 0 0 0 0 1.6801 -0.6138 3.3355 C 0 0 0 0 0 0 0 0 0 2.7064 -1.1187 2.5527 C 0 0 0 0 0 0 0 0 0 3.4190 -0.2852 1.7015 C 0 0 0 0 0 0 0 0 0 3.0986 1.0676 1.6343 C 0 0 0 0 0 0 0 0 0 2.0611 1.5762 2.4268 C 0 0 0 0 0 0 0 0 0 1.7299 3.0190 2.3458 C 0 0 0 0 0 0 0 0 0 2.5203 3.8803 1.4173 C 0 0 0 0 0 0 0 0 0 3.5566 3.3008 0.6455 C 0 0 0 0 0 0 0 0 0 3.8496 1.9721 0.7303 C 0 0 0 0 0 0 0 0 0 0.8386 3.4902 3.0164 O 0 0 0 0 0 0 0 0 0 2.2824 5.0637 1.3205 O 0 0 0 0 0 0 0 0 0 4.8641 1.4589 -0.0366 N 0 0 0 0 0 0 0 0 0 6.0665 2.1468 -0.1499 C 0 0 0 0 0 0 0 0 0 6.4836 3.0154 0.8593 C 0 0 0 0 0 0 0 0 0 7.6902 3.6810 0.7026 C 0 0 0 0 0 0 0 0 0 8.4386 3.4656 -0.4432 C 0 0 0 0 0 0 0 0 0 8.0154 2.6353 -1.3836 N 0 0 0 0 0 0 0 0 0 6.8727 1.9768 -1.2704 C 0 0 0 0 0 0 0 0 0 0.5517 1.1203 3.8834 H 0 0 0 0 0 0 0 0 0 1.1360 -1.2697 3.9908 H 0 0 0 0 0 0 0 0 0 2.9521 -2.1638 2.6062 H 0 0 0 0 0 0 0 0 0 4.2143 -0.6865 1.0982 H 0 0 0 0 0 0 0 0 0 4.1170 3.9336 -0.0187 H 0 0 0 0 0 0 0 0 0 4.7408 0.6141 -0.5026 H 0 0 0 0 0 0 0 0 0 5.8836 3.1657 1.7406 H 0 0 0 0 0 0 0 0 0 8.0424 4.3573 1.4602 H 0 0 0 0 0 0 0 0 0 9.3734 3.9770 -0.5726 H 0 0 0 0 0 0 0 0 0 6.5670 1.3090 -2.0540 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 11 2 0 0 0 0 7 8 1 0 0 0 0 8 12 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 19 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 19 29 1 0 0 0 0 M END > 637729 > K $$$$ 637731 1016 111283D 637731 36 38 0 1 V2000 8.8454 5.8475 2.8766 C 0 0 0 0 0 0 0 0 0 8.2973 5.2168 3.9824 C 0 0 0 0 0 0 0 0 0 7.3132 4.2596 3.8241 C 0 0 0 0 0 0 0 0 0 6.8603 3.9165 2.5601 C 0 0 0 0 0 0 0 0 0 7.3989 4.5390 1.4385 C 0 0 0 0 0 0 0 0 0 8.4014 5.5139 1.6023 C 0 0 0 0 0 0 0 0 0 8.9671 6.1702 0.4047 C 0 0 0 0 0 0 0 0 0 9.8323 7.0141 0.5091 O 0 0 0 0 0 0 0 0 0 8.4472 5.7682 -0.9391 C 0 0 0 0 0 0 0 0 0 8.8907 6.2879 -1.9466 O 0 0 0 0 0 0 0 0 0 7.4493 4.7921 -1.0330 C 0 0 0 0 0 0 0 0 0 6.9282 4.1863 0.0860 C 0 0 0 0 0 0 0 0 0 5.9517 3.2348 -0.0585 N 0 0 0 0 0 0 0 0 0 6.2322 2.0046 -0.8030 C 0 0 0 0 0 0 0 0 0 7.2936 1.1901 -0.0608 C 0 0 0 0 0 0 0 0 0 8.6001 1.9411 -0.0697 C 0 0 0 0 0 0 0 0 0 9.2106 2.2799 1.1231 C 0 0 0 0 0 0 0 0 0 10.4092 2.9689 1.1149 C 0 0 0 0 0 0 0 0 0 10.9972 3.3185 -0.0861 C 0 0 0 0 0 0 0 0 0 10.3870 2.9789 -1.2793 C 0 0 0 0 0 0 0 0 0 9.1909 2.2862 -1.2711 C 0 0 0 0 0 0 0 0 0 9.6113 6.5982 3.0048 H 0 0 0 0 0 0 0 0 0 8.6415 5.4746 4.9731 H 0 0 0 0 0 0 0 0 0 6.8936 3.7745 4.6930 H 0 0 0 0 0 0 0 0 0 6.0911 3.1670 2.4459 H 0 0 0 0 0 0 0 0 0 7.0797 4.5078 -2.0071 H 0 0 0 0 0 0 0 0 0 5.0752 3.3761 0.3322 H 0 0 0 0 0 0 0 0 0 5.3185 1.4166 -0.8906 H 0 0 0 0 0 0 0 0 0 6.5983 2.2575 -1.7980 H 0 0 0 0 0 0 0 0 0 6.9740 1.0293 0.9688 H 0 0 0 0 0 0 0 0 0 7.4245 0.2275 -0.5552 H 0 0 0 0 0 0 0 0 0 8.7512 2.0067 2.0615 H 0 0 0 0 0 0 0 0 0 10.8859 3.2343 2.0470 H 0 0 0 0 0 0 0 0 0 11.9332 3.8574 -0.0925 H 0 0 0 0 0 0 0 0 0 10.8462 3.2523 -2.2177 H 0 0 0 0 0 0 0 0 0 8.7161 2.0176 -2.2032 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M END > 637731 > K $$$$ 637833 1016 111283D 637833 23 22 0 1 V2000 2.8109 0.1893 -3.4650 C 0 0 0 0 0 0 0 0 0 1.5294 -0.3687 -4.5708 S 0 0 0 0 0 0 0 0 0 0.3022 -1.1618 -3.4903 C 0 0 0 0 0 0 0 0 0 -0.5264 0.1003 -2.4822 S 0 0 0 0 0 0 0 0 0 -1.4628 -0.8446 -1.2985 C 0 0 0 0 0 0 0 0 0 -2.2833 -0.1407 -0.2660 C 0 0 0 0 0 0 0 0 0 -1.4395 -2.0519 -1.3258 O 0 0 0 0 0 0 0 0 0 -0.9266 -2.0274 -4.5122 S 0 0 0 0 0 0 0 0 0 -0.0406 -3.4055 -5.2141 C 0 0 0 0 0 0 0 0 0 1.1285 -3.5635 -4.9559 O 0 0 0 0 0 0 0 0 0 -0.7385 -4.3668 -6.1265 C 0 0 0 0 0 0 0 0 0 2.7057 -0.0016 -2.2772 O 0 0 0 0 0 0 0 0 0 4.0202 0.8911 -4.0024 C 0 0 0 0 0 0 0 0 0 0.7937 -1.8664 -2.8367 H 0 0 0 0 0 0 0 0 0 -2.7773 -0.8699 0.3585 H 0 0 0 0 0 0 0 0 0 -1.6379 0.4767 0.3405 H 0 0 0 0 0 0 0 0 0 -3.0220 0.4745 -0.7571 H 0 0 0 0 0 0 0 0 0 -0.1861 -5.2939 -6.1722 H 0 0 0 0 0 0 0 0 0 -1.7361 -4.5601 -5.7619 H 0 0 0 0 0 0 0 0 0 -0.7958 -3.9376 -7.1156 H 0 0 0 0 0 0 0 0 0 4.4959 1.4556 -3.2140 H 0 0 0 0 0 0 0 0 0 4.7145 0.1573 -4.3836 H 0 0 0 0 0 0 0 0 0 3.7322 1.5594 -4.7999 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 2 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 2 0 0 0 0 5 6 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M END > 637833 > K $$$$ 637914 1016 111283D 637914 36 37 0 1 V2000 5.2175 6.4301 1.9040 C 0 0 0 0 0 0 0 0 0 5.9729 6.3225 0.7339 C 0 0 0 0 0 0 0 0 0 5.9114 5.1690 -0.0114 C 0 0 0 0 0 0 0 0 0 5.0981 4.1164 0.4024 C 0 0 0 0 0 0 0 0 0 4.3442 4.2242 1.5687 C 0 0 0 0 0 0 0 0 0 4.4013 5.3747 2.3189 C 0 0 0 0 0 0 0 0 0 5.2842 7.6635 2.7092 C 0 0 0 0 0 0 0 0 0 4.6223 7.7596 3.7194 O 0 0 0 0 0 0 0 0 0 5.9190 8.4737 2.3976 H 0 0 0 0 0 0 0 0 0 5.0385 2.9558 -0.3527 N 0 0 0 0 0 0 0 0 0 6.2476 2.4278 -0.9845 C 0 0 0 0 0 0 0 0 0 7.3381 2.2429 0.0789 C 0 0 0 0 0 0 0 0 0 6.9310 1.1817 1.0085 C 0 0 0 0 0 0 0 0 0 6.6066 0.3548 1.7377 N 0 0 0 0 0 0 0 0 0 3.5958 2.1651 -0.5406 S 0 0 0 0 0 0 0 0 0 3.5900 1.4745 -1.7845 O 0 0 0 0 0 0 0 0 0 3.4238 1.2311 0.5193 O 0 0 0 0 0 0 0 0 0 2.2755 3.3322 -0.5117 C 0 0 0 0 0 0 0 0 0 2.4732 4.6109 -1.0027 C 0 0 0 0 0 0 0 0 0 1.4355 5.5280 -0.9778 C 0 0 0 0 0 0 0 0 0 0.2023 5.1648 -0.4614 C 0 0 0 0 0 0 0 0 0 0.0067 3.8842 0.0292 C 0 0 0 0 0 0 0 0 0 1.0434 2.9659 0.0009 C 0 0 0 0 0 0 0 0 0 6.6013 7.1337 0.4120 H 0 0 0 0 0 0 0 0 0 6.4920 5.0827 -0.9117 H 0 0 0 0 0 0 0 0 0 3.7166 3.4108 1.8846 H 0 0 0 0 0 0 0 0 0 3.8186 5.4547 3.2191 H 0 0 0 0 0 0 0 0 0 6.0275 1.4650 -1.4450 H 0 0 0 0 0 0 0 0 0 6.5955 3.1231 -1.7479 H 0 0 0 0 0 0 0 0 0 8.2700 1.9695 -0.3998 H 0 0 0 0 0 0 0 0 0 7.4641 3.1753 0.6299 H 0 0 0 0 0 0 0 0 0 3.4302 4.8926 -1.4034 H 0 0 0 0 0 0 0 0 0 1.5872 6.5217 -1.3589 H 0 0 0 0 0 0 0 0 0 -0.6030 5.8768 -0.4414 H 0 0 0 0 0 0 0 0 0 -0.9501 3.6027 0.4305 H 0 0 0 0 0 0 0 0 0 0.8907 1.9708 0.3782 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 3 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > 637914 > K $$$$ 637916 1016 111283D 637916 48 50 0 2 V2000 9.5583 -1.0805 -5.3330 C 0 0 0 0 0 0 0 0 0 10.2802 -0.2542 -4.4817 C 0 0 0 0 0 0 0 0 0 11.4163 0.4023 -4.9350 C 0 0 0 0 0 0 0 0 0 11.8156 0.2126 -6.2533 C 0 0 0 0 0 0 0 0 0 11.0937 -0.6210 -7.0971 C 0 0 0 0 0 0 0 0 0 9.9547 -1.2868 -6.6522 C 0 0 0 0 0 0 0 0 0 9.2458 -2.1207 -7.4880 N 0 0 0 0 0 0 0 0 0 9.2767 -1.9687 -8.9272 C 0 0 0 0 0 0 0 0 0 8.7096 -0.6088 -9.3355 C 0 0 0 0 0 0 0 0 0 8.6744 -0.4818 -10.8257 C 0 0 0 0 0 0 0 0 0 8.6466 -0.3836 -11.9850 N 0 0 0 0 0 0 0 0 0 8.4324 -3.1943 -6.9609 C 0 0 0 0 0 0 0 0 0 6.9603 -2.7905 -6.9797 C 0 0 0 0 0 0 0 0 0 6.1142 -3.8515 -6.3497 C 0 0 0 0 0 0 0 0 0 5.4577 -4.6763 -5.8569 N 0 0 0 0 0 0 0 0 0 12.1816 1.2940 -3.9914 C 0 0 0 0 0 0 0 0 0 12.8403 2.3770 -4.4234 C 0 0 0 0 0 0 0 0 0 12.8085 2.8959 -5.6609 N 0 0 0 0 0 0 0 0 0 13.5259 3.9230 -5.6806 C 0 0 0 0 0 0 0 0 0 14.1813 4.2466 -4.5224 O 0 0 0 0 0 0 0 0 0 13.7514 3.2744 -3.6767 C 0 0 0 0 0 0 0 0 0 14.0611 3.1611 -2.5148 O 0 0 0 0 0 0 0 0 0 13.6480 4.7502 -6.9310 C 0 0 0 0 0 0 0 0 0 12.9070 4.4529 -8.0736 C 0 0 0 0 0 0 0 0 0 13.0441 5.2303 -9.2151 C 0 0 0 0 0 0 0 0 0 13.9184 6.3078 -9.2266 C 0 0 0 0 0 0 0 0 0 14.6574 6.6099 -8.0906 C 0 0 0 0 0 0 0 0 0 14.5187 5.8342 -6.9460 C 0 0 0 0 0 0 0 0 0 11.7831 3.1235 -8.1599 Cl 0 0 0 0 0 0 0 0 0 15.5189 7.6564 -8.0790 N 0 3 0 0 0 0 0 0 0 15.6811 8.3790 -9.0875 O 0 0 0 0 0 0 0 0 0 16.2638 7.9320 -6.8583 O 0 5 0 0 0 0 0 0 0 8.6978 -1.5496 -4.9607 H 0 0 0 0 0 0 0 0 0 9.9596 -0.1251 -3.4901 H 0 0 0 0 0 0 0 0 0 12.6710 0.6943 -6.6256 H 0 0 0 0 0 0 0 0 0 11.4267 -0.7431 -8.0842 H 0 0 0 0 0 0 0 0 0 10.2821 -2.0892 -9.3042 H 0 0 0 0 0 0 0 0 0 8.6690 -2.7284 -9.4015 H 0 0 0 0 0 0 0 0 0 7.7043 -0.5118 -8.9540 H 0 0 0 0 0 0 0 0 0 9.3150 0.1878 -8.9311 H 0 0 0 0 0 0 0 0 0 8.5653 -4.0842 -7.5616 H 0 0 0 0 0 0 0 0 0 8.7288 -3.4558 -5.9545 H 0 0 0 0 0 0 0 0 0 6.8290 -1.8683 -6.4335 H 0 0 0 0 0 0 0 0 0 6.6379 -2.6438 -8.0001 H 0 0 0 0 0 0 0 0 0 12.1975 1.0621 -2.9672 H 0 0 0 0 0 0 0 0 0 12.4815 4.9982 -10.0718 H 0 0 0 0 0 0 0 0 0 14.0180 6.8911 -10.0942 H 0 0 0 0 0 0 0 0 0 15.0812 6.0763 -6.0906 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 3 16 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 3 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 3 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 29 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 30 1 0 0 0 0 27 28 1 0 0 0 0 28 48 1 0 0 0 0 30 32 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 2 30 1 32 -1 M END > 637916 > K $$$$ 637993 1016 111283D 637993 54 57 0 1 V2000 16.0066 1.9418 0.5704 C 0 0 0 0 0 0 0 0 0 15.2140 0.9161 1.0650 C 0 0 0 0 0 0 0 0 0 15.1472 -0.3127 0.4205 C 0 0 0 0 0 0 0 0 0 15.8708 -0.5500 -0.7439 C 0 0 0 0 0 0 0 0 0 16.6700 0.4874 -1.2321 C 0 0 0 0 0 0 0 0 0 16.7384 1.7152 -0.5890 C 0 0 0 0 0 0 0 0 0 15.8369 -1.7446 -1.4304 N 0 0 0 0 0 0 0 0 0 16.5441 -1.9295 -2.5526 C 0 0 0 0 0 0 0 0 0 17.3738 -1.0195 -3.1725 C 0 0 0 0 0 0 0 0 0 17.4852 0.2981 -2.4800 C 0 0 0 0 0 0 0 0 0 16.3444 -3.1932 -3.0515 C 0 0 0 0 0 0 0 0 0 16.9832 -3.5924 -4.2165 C 0 0 0 0 0 0 0 0 0 17.8176 -2.6766 -4.8583 C 0 0 0 0 0 0 0 0 0 18.0118 -1.3891 -4.3502 C 0 0 0 0 0 0 0 0 0 18.1947 1.1886 -2.8868 O 0 0 0 0 0 0 0 0 0 15.1909 -2.9295 -1.2403 C 0 0 0 0 0 0 0 0 0 15.4947 -3.8189 -2.2212 N 0 0 0 0 0 0 0 0 0 18.8021 -0.4581 -4.9532 N 0 0 0 0 0 0 0 0 0 14.2529 -3.3025 -0.1336 C 0 0 0 0 0 0 0 0 0 16.0061 3.1128 1.2707 O 0 0 0 0 0 0 0 0 0 16.9129 4.1249 0.8761 C 0 0 0 0 0 0 0 0 0 18.7421 -0.1795 -6.3596 C 0 0 0 0 0 0 0 0 0 17.7076 0.9448 -6.4649 C 0 0 0 0 0 0 0 0 0 16.4291 0.5839 -5.8410 N 0 0 0 0 0 0 0 0 0 15.7173 1.6970 -5.2107 C 0 0 0 0 0 0 0 0 0 15.0311 2.5907 -6.2419 C 0 0 0 0 0 0 0 0 0 15.6318 -0.4124 -6.5577 C 0 0 0 0 0 0 0 0 0 14.4799 -0.9697 -5.7230 C 0 0 0 0 0 0 0 0 0 14.6587 1.0781 1.9409 H 0 0 0 0 0 0 0 0 0 14.5382 -1.0532 0.8351 H 0 0 0 0 0 0 0 0 0 17.3490 2.4685 -0.9906 H 0 0 0 0 0 0 0 0 0 16.8381 -4.5597 -4.5996 H 0 0 0 0 0 0 0 0 0 18.3090 -2.9689 -5.7386 H 0 0 0 0 0 0 0 0 0 19.4197 0.0583 -4.4091 H 0 0 0 0 0 0 0 0 0 13.4084 -2.6302 -0.1271 H 0 0 0 0 0 0 0 0 0 13.8941 -4.3078 -0.2962 H 0 0 0 0 0 0 0 0 0 14.7735 -3.2661 0.8116 H 0 0 0 0 0 0 0 0 0 16.6385 4.5216 -0.0913 H 0 0 0 0 0 0 0 0 0 16.8747 4.9251 1.6001 H 0 0 0 0 0 0 0 0 0 17.9247 3.7449 0.8429 H 0 0 0 0 0 0 0 0 0 19.6989 0.1758 -6.7180 H 0 0 0 0 0 0 0 0 0 18.4414 -1.0308 -6.9504 H 0 0 0 0 0 0 0 0 0 18.1344 1.7898 -5.9411 H 0 0 0 0 0 0 0 0 0 17.5617 1.2264 -7.4973 H 0 0 0 0 0 0 0 0 0 14.9757 1.3223 -4.5204 H 0 0 0 0 0 0 0 0 0 16.4082 2.2903 -4.6278 H 0 0 0 0 0 0 0 0 0 14.4813 3.3722 -5.7393 H 0 0 0 0 0 0 0 0 0 15.7720 3.0345 -6.8901 H 0 0 0 0 0 0 0 0 0 14.3414 2.0103 -6.8365 H 0 0 0 0 0 0 0 0 0 15.2393 0.0245 -7.4645 H 0 0 0 0 0 0 0 0 0 16.2538 -1.2503 -6.8358 H 0 0 0 0 0 0 0 0 0 14.8713 -1.4301 -4.8286 H 0 0 0 0 0 0 0 0 0 13.7918 -0.1843 -5.4477 H 0 0 0 0 0 0 0 0 0 13.9429 -1.7077 -6.2990 H 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 31 1 0 0 0 0 7 16 1 0 0 0 0 7 8 1 0 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 11 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END > 637993 > K $$$$ 638352 1016 111283D 638352 78 83 0 1 V2000 0.3819 0.6969 -1.9754 C 0 0 0 0 0 0 0 0 0 -0.4102 0.9140 -3.0951 C 0 0 0 0 0 0 0 0 0 0.0241 1.7901 -4.0788 C 0 0 0 0 0 0 0 0 0 1.2098 2.4190 -3.9288 N 0 0 0 0 0 0 0 0 0 2.0037 2.2280 -2.8482 C 0 0 0 0 0 0 0 0 0 1.6015 1.3529 -1.8413 C 0 0 0 0 0 0 0 0 0 2.4272 1.1624 -0.7387 C 0 0 0 0 0 0 0 0 0 3.6336 1.8425 -0.6498 C 0 0 0 0 0 0 0 0 0 4.0283 2.7169 -1.6525 C 0 0 0 0 0 0 0 0 0 3.2110 2.9125 -2.7659 C 0 0 0 0 0 0 0 0 0 1.9889 0.0575 0.5912 S 0 0 0 0 0 0 0 0 0 0.7793 0.4849 1.2200 O 0 0 0 0 0 0 0 0 0 1.8297 -1.2748 0.1008 O 0 0 0 0 0 0 0 0 0 7.6671 4.4059 -1.0503 C 0 0 0 0 0 0 0 0 0 6.5339 5.0706 -1.5023 C 0 0 0 0 0 0 0 0 0 6.5800 6.4417 -1.7137 C 0 0 0 0 0 0 0 0 0 7.7549 7.1452 -1.4838 C 0 0 0 0 0 0 0 0 0 8.8963 6.4804 -1.0448 C 0 0 0 0 0 0 0 0 0 8.8427 5.1072 -0.8257 C 0 0 0 0 0 0 0 0 0 14.0519 9.2076 -0.8042 C 0 0 0 0 0 0 0 0 0 12.8335 8.5519 -0.9006 C 0 0 0 0 0 0 0 0 0 7.7732 8.9109 -1.7594 S 0 0 0 0 0 0 0 0 0 8.2905 9.5897 -0.6134 O 0 0 0 0 0 0 0 0 0 8.5877 9.2258 -2.8904 O 0 0 0 0 0 0 0 0 0 12.5313 7.4946 -0.0476 C 0 0 0 0 0 0 0 0 0 13.4666 7.1024 0.9057 C 0 0 0 0 0 0 0 0 0 14.6877 7.7581 1.0002 C 0 0 0 0 0 0 0 0 0 14.9857 8.8105 0.1446 C 0 0 0 0 0 0 0 0 0 17.6193 11.0205 -0.1145 C 0 0 0 0 0 0 0 0 0 18.8414 10.3596 0.0145 C 0 0 0 0 0 0 0 0 0 20.0022 11.1067 0.1825 C 0 0 0 0 0 0 0 0 0 19.9622 12.4989 0.2220 C 0 0 0 0 0 0 0 0 0 18.7388 13.1472 0.0921 C 0 0 0 0 0 0 0 0 0 17.5762 12.4077 -0.0752 C 0 0 0 0 0 0 0 0 0 18.6091 14.9265 0.1339 S 0 0 0 0 0 0 0 0 0 19.0566 15.4310 1.3934 O 0 0 0 0 0 0 0 0 0 19.3871 15.5052 -0.9152 O 0 0 0 0 0 0 0 0 0 21.1899 10.4669 0.3086 N 0 0 0 0 0 0 0 0 0 22.3576 11.1272 0.4688 C 0 0 0 0 0 0 0 0 0 22.3561 12.5134 0.5130 C 0 0 0 0 0 0 0 0 0 21.1538 13.1969 0.3904 C 0 0 0 0 0 0 0 0 0 5.2212 3.3477 -1.4900 N 0 0 0 0 0 0 0 0 0 5.3725 4.4109 -1.7455 N 0 0 0 0 0 0 0 0 0 13.1156 5.7530 2.0239 S 0 0 0 0 0 0 0 0 0 11.8684 5.9652 2.6881 O 0 0 0 0 0 0 0 0 0 13.0514 4.5213 1.3024 O 0 0 0 0 0 0 0 0 0 16.1895 9.4310 0.2537 N 0 0 0 0 0 0 0 0 0 16.4397 10.3644 -0.2834 N 0 0 0 0 0 0 0 0 0 3.5230 3.7446 -3.8000 O 0 0 0 0 0 0 0 0 0 3.1443 0.0504 1.6875 O 0 0 0 0 0 0 0 0 0 6.3068 9.4641 -2.0381 O 0 0 0 0 0 0 0 0 0 14.2470 5.6135 3.1351 O 0 0 0 0 0 0 0 0 0 10.1658 7.2589 -0.8196 C 0 0 0 0 0 0 0 0 0 11.2140 6.7688 -0.1424 C 0 0 0 0 0 0 0 0 0 17.0933 15.3719 -0.0685 O 0 0 0 0 0 0 0 0 0 18.9774 9.0029 -0.0153 O 0 0 0 0 0 0 0 0 0 0.0462 0.0318 -1.2344 H 0 0 0 0 0 0 0 0 0 -1.3310 0.4204 -3.1990 H 0 0 0 0 0 0 0 0 0 -0.5594 1.9669 -4.9350 H 0 0 0 0 0 0 0 0 0 4.2543 1.6961 0.1852 H 0 0 0 0 0 0 0 0 0 7.6355 3.3699 -0.8790 H 0 0 0 0 0 0 0 0 0 5.7221 6.9477 -2.0482 H 0 0 0 0 0 0 0 0 0 9.6868 4.5810 -0.4907 H 0 0 0 0 0 0 0 0 0 14.2678 10.0059 -1.4522 H 0 0 0 0 0 0 0 0 0 12.1491 8.8690 -1.6300 H 0 0 0 0 0 0 0 0 0 15.3883 7.4569 1.7230 H 0 0 0 0 0 0 0 0 0 16.6544 12.9031 -0.1717 H 0 0 0 0 0 0 0 0 0 23.2570 10.5914 0.5586 H 0 0 0 0 0 0 0 0 0 23.2569 13.0387 0.6382 H 0 0 0 0 0 0 0 0 0 21.1606 14.2467 0.4268 H 0 0 0 0 0 0 0 0 0 4.4009 4.0933 -3.7248 H 0 0 0 0 0 0 0 0 0 2.8344 -0.5420 2.3610 H 0 0 0 0 0 0 0 0 0 6.4304 10.3958 -2.1724 H 0 0 0 0 0 0 0 0 0 13.9634 4.8803 3.6673 H 0 0 0 0 0 0 0 0 0 10.2256 8.2294 -1.2116 H 0 0 0 0 0 0 0 0 0 11.1181 5.8450 0.3446 H 0 0 0 0 0 0 0 0 0 17.1155 16.3199 -0.0222 H 0 0 0 0 0 0 0 0 0 18.1690 8.5668 -0.2487 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 57 1 0 0 0 0 2 3 2 0 0 0 0 2 58 1 0 0 0 0 3 4 1 0 0 0 0 3 59 1 0 0 0 0 4 5 2 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 60 1 0 0 0 0 9 42 1 0 0 0 0 9 10 2 0 0 0 0 10 49 1 0 0 0 0 11 50 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 14 61 1 0 0 0 0 15 43 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 62 1 0 0 0 0 17 22 1 0 0 0 0 17 18 2 0 0 0 0 18 53 1 0 0 0 0 18 19 1 0 0 0 0 19 63 1 0 0 0 0 20 28 2 0 0 0 0 20 21 1 0 0 0 0 20 64 1 0 0 0 0 21 25 2 0 0 0 0 21 65 1 0 0 0 0 22 51 1 0 0 0 0 22 24 2 0 0 0 0 22 23 2 0 0 0 0 25 54 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 56 1 0 0 0 0 30 31 2 0 0 0 0 31 38 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 41 1 0 0 0 0 33 35 1 0 0 0 0 33 34 1 0 0 0 0 34 67 1 0 0 0 0 35 55 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 39 68 1 0 0 0 0 40 41 2 0 0 0 0 40 69 1 0 0 0 0 41 70 1 0 0 0 0 42 43 2 0 0 0 0 44 52 1 0 0 0 0 44 45 2 0 0 0 0 44 46 2 0 0 0 0 47 48 2 0 0 0 0 49 71 1 0 0 0 0 50 72 1 0 0 0 0 51 73 1 0 0 0 0 52 74 1 0 0 0 0 53 54 2 0 0 0 0 53 75 1 0 0 0 0 54 76 1 0 0 0 0 55 77 1 0 0 0 0 56 78 1 0 0 0 0 M END > 638352 > K $$$$ 638504 1016 111283D 638504 36 39 1 1 V2000 -0.0175 1.1981 0.4362 C 0 0 0 0 0 0 0 0 0 0.4602 0.0143 0.9469 C 0 0 0 0 0 0 0 0 0 1.6700 -0.5179 0.5077 C 0 0 0 0 0 0 0 0 0 2.4164 0.1260 -0.4443 C 0 0 0 0 0 0 0 0 0 1.9547 1.3364 -0.9834 C 0 0 0 0 0 0 0 0 0 0.7257 1.8782 -0.5384 C 0 0 0 0 0 0 0 0 0 0.2659 3.0886 -1.0792 C 0 0 0 0 0 0 0 0 0 1.0143 3.7300 -2.0321 C 0 0 0 0 0 0 0 0 0 2.2221 3.1972 -2.4700 C 0 0 0 0 0 0 0 0 0 2.6982 2.0166 -1.9592 C 0 0 0 0 0 0 0 0 0 -0.2608 -0.6451 1.8929 O 0 0 0 0 0 0 0 0 0 0.2548 -1.8682 2.4688 C 0 0 0 0 0 0 0 0 0 -1.3319 1.7534 0.9234 C 0 0 1 0 0 0 0 0 0 -2.2966 0.6344 1.2322 C 0 0 0 0 0 0 0 0 0 -2.3456 0.5355 2.6192 C 0 0 0 0 0 0 0 0 0 -1.4302 1.5603 3.1711 C 0 0 0 0 0 0 0 0 0 -1.1489 2.4509 2.1895 O 0 0 0 0 0 0 0 0 0 -1.0025 1.5955 4.3052 O 0 0 0 0 0 0 0 0 0 -3.1659 -0.4163 3.2207 C 0 0 0 0 0 0 0 0 0 -3.9239 -1.2617 2.4266 C 0 0 0 0 0 0 0 0 0 -3.8660 -1.1617 1.0452 C 0 0 0 0 0 0 0 0 0 -3.0508 -0.2123 0.4442 C 0 0 0 0 0 0 0 0 0 2.0266 -1.4451 0.9186 H 0 0 0 0 0 0 0 0 0 3.3487 -0.2996 -0.7706 H 0 0 0 0 0 0 0 0 0 -0.6652 3.5173 -0.7543 H 0 0 0 0 0 0 0 0 0 0.6604 4.6571 -2.4449 H 0 0 0 0 0 0 0 0 0 2.7926 3.7159 -3.2186 H 0 0 0 0 0 0 0 0 0 3.6352 1.6214 -2.3097 H 0 0 0 0 0 0 0 0 0 -0.4531 -2.2523 3.2033 H 0 0 0 0 0 0 0 0 0 0.3984 -2.6102 1.6831 H 0 0 0 0 0 0 0 0 0 1.2092 -1.6688 2.9567 H 0 0 0 0 0 0 0 0 0 -1.7548 2.4230 0.1765 H 0 0 0 0 0 0 0 0 0 -3.2141 -0.4982 4.2916 H 0 0 0 0 0 0 0 0 0 -4.5592 -1.9988 2.8841 H 0 0 0 0 0 0 0 0 0 -4.4560 -1.8232 0.4356 H 0 0 0 0 0 0 0 0 0 -3.0086 -0.1369 -0.6262 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 1 0 0 0 13 14 1 0 0 0 0 13 32 1 6 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > 638504 > K $$$$ 638634 1016 111283D 638634 54 57 0 1 V2000 7.7330 -1.9534 0.3069 C 0 0 0 0 0 0 0 0 0 6.5766 -1.8996 1.0737 C 0 0 0 0 0 0 0 0 0 5.5780 -0.9898 0.7537 C 0 0 0 0 0 0 0 0 0 5.7402 -0.1342 -0.3285 C 0 0 0 0 0 0 0 0 0 6.9035 -0.1721 -1.0923 C 0 0 0 0 0 0 0 0 0 7.8927 -1.0950 -0.7736 C 0 0 0 0 0 0 0 0 0 7.1171 0.7555 -2.2624 C 0 0 0 0 0 0 0 0 0 6.7703 2.0540 -2.3057 C 0 0 0 0 0 0 0 0 0 6.7828 2.7637 -3.6239 C 0 0 0 0 0 0 0 0 0 7.3363 2.2681 -4.5774 O 0 0 0 0 0 0 0 0 0 6.0982 4.0946 -3.7482 C 0 0 0 0 0 0 0 0 0 6.3521 4.8258 -4.8486 C 0 0 0 0 0 0 0 0 0 5.1781 4.5111 -2.6277 C 0 0 0 0 0 0 0 0 0 5.2340 3.7381 -1.4025 N 0 0 0 0 0 0 0 0 0 6.3700 2.8918 -1.1189 C 0 0 0 0 0 0 0 0 0 5.7398 6.1451 -5.2661 C 0 0 0 0 0 0 0 0 0 4.5325 6.6550 -4.7941 C 0 0 0 0 0 0 0 0 0 6.4537 6.8898 -6.1997 C 0 0 0 0 0 0 0 0 0 5.9901 8.1229 -6.6388 C 0 0 0 0 0 0 0 0 0 4.7944 8.6277 -6.1482 C 0 0 0 0 0 0 0 0 0 4.0656 7.8899 -5.2262 C 0 0 0 0 0 0 0 0 0 4.1709 3.8571 -0.5463 C 0 0 0 0 0 0 0 0 0 3.2299 4.5201 -0.9129 O 0 0 0 0 0 0 0 0 0 4.0819 3.2251 0.8182 C 0 0 0 0 0 0 0 0 0 2.9426 3.2992 1.5219 C 0 0 0 0 0 0 0 0 0 2.7571 2.6979 2.8936 C 0 0 0 0 0 0 0 0 0 1.5192 2.8480 3.5098 C 0 0 0 0 0 0 0 0 0 3.7636 2.0058 3.5618 C 0 0 0 0 0 0 0 0 0 3.5337 1.4736 4.8243 C 0 0 0 0 0 0 0 0 0 2.2947 1.6282 5.4311 C 0 0 0 0 0 0 0 0 0 1.2859 2.3170 4.7718 C 0 0 0 0 0 0 0 0 0 8.4879 -2.6440 0.5450 H 0 0 0 0 0 0 0 0 0 6.4573 -2.5461 1.8934 H 0 0 0 0 0 0 0 0 0 4.7002 -0.9497 1.3299 H 0 0 0 0 0 0 0 0 0 4.9713 0.5408 -0.5662 H 0 0 0 0 0 0 0 0 0 8.7695 -1.1444 -1.3500 H 0 0 0 0 0 0 0 0 0 7.5741 0.3458 -3.1157 H 0 0 0 0 0 0 0 0 0 7.0744 4.4351 -5.5057 H 0 0 0 0 0 0 0 0 0 5.3671 5.5477 -2.3838 H 0 0 0 0 0 0 0 0 0 4.1731 4.4148 -3.0131 H 0 0 0 0 0 0 0 0 0 6.2434 2.2793 -0.2453 H 0 0 0 0 0 0 0 0 0 7.2049 3.5435 -0.9024 H 0 0 0 0 0 0 0 0 0 3.9468 6.1253 -4.1093 H 0 0 0 0 0 0 0 0 0 7.3599 6.5200 -6.5814 H 0 0 0 0 0 0 0 0 0 6.5444 8.6731 -7.3412 H 0 0 0 0 0 0 0 0 0 4.4425 9.5627 -6.4732 H 0 0 0 0 0 0 0 0 0 3.1579 8.2663 -4.8544 H 0 0 0 0 0 0 0 0 0 4.9103 2.7280 1.2176 H 0 0 0 0 0 0 0 0 0 2.1279 3.8063 1.0923 H 0 0 0 0 0 0 0 0 0 0.7482 3.3676 3.0203 H 0 0 0 0 0 0 0 0 0 4.7081 1.8752 3.1252 H 0 0 0 0 0 0 0 0 0 4.2987 0.9530 5.3216 H 0 0 0 0 0 0 0 0 0 2.1209 1.2255 6.3858 H 0 0 0 0 0 0 0 0 0 0.3468 2.4363 5.2275 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 22 1 0 0 0 0 14 15 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 31 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END > 638634 > K $$$$ 638646 1016 111283D 638646 59 62 0 1 V2000 3.5024 4.7557 -10.0087 C 0 0 0 0 0 0 0 0 0 2.6792 5.2862 -9.0233 C 0 0 0 0 0 0 0 0 0 2.5523 4.6310 -7.8065 C 0 0 0 0 0 0 0 0 0 3.2526 3.4545 -7.5738 C 0 0 0 0 0 0 0 0 0 4.0971 2.9282 -8.5479 C 0 0 0 0 0 0 0 0 0 4.2028 3.5799 -9.7708 C 0 0 0 0 0 0 0 0 0 1.8019 6.7657 -9.2941 Cl 0 0 0 0 0 0 0 0 0 3.6673 5.5537 -11.5466 Cl 0 0 0 0 0 0 0 0 0 4.9017 1.6694 -8.3258 C 0 0 0 0 0 0 0 0 0 5.4738 1.3266 -7.1592 C 0 0 0 0 0 0 0 0 0 6.0937 -0.0352 -6.9695 C 0 0 0 0 0 0 0 0 0 6.0086 -0.8621 -7.8467 O 0 0 0 0 0 0 0 0 0 6.8167 -0.3621 -5.6832 C 0 0 0 0 0 0 0 0 0 7.3142 -1.5963 -5.4937 C 0 0 0 0 0 0 0 0 0 6.9494 0.7400 -4.6636 C 0 0 0 0 0 0 0 0 0 6.8206 1.9878 -5.3672 N 0 0 0 0 0 0 0 0 0 5.5457 2.2544 -5.9805 C 0 0 0 0 0 0 0 0 0 7.9096 -2.1149 -4.2049 C 0 0 0 0 0 0 0 0 0 7.4573 -1.7290 -2.9455 C 0 0 0 0 0 0 0 0 0 8.9566 -3.0252 -4.2899 C 0 0 0 0 0 0 0 0 0 9.5610 -3.5230 -3.1427 C 0 0 0 0 0 0 0 0 0 10.8770 -4.6530 -3.2905 Cl 0 0 0 0 0 0 0 0 0 9.1152 -3.1182 -1.8910 C 0 0 0 0 0 0 0 0 0 9.8614 -3.7247 -0.4391 Cl 0 0 0 0 0 0 0 0 0 8.0619 -2.2197 -1.7951 C 0 0 0 0 0 0 0 0 0 7.8788 2.8474 -5.4371 C 0 0 0 0 0 0 0 0 0 8.8617 2.6205 -4.7746 O 0 0 0 0 0 0 0 0 0 7.8727 4.0684 -6.3056 C 0 0 0 0 0 0 0 0 0 7.2435 5.2543 -5.5686 C 0 0 0 0 0 0 0 0 0 6.9134 6.3585 -6.4661 N 0 0 0 0 0 0 0 0 0 5.7389 6.1391 -7.3119 C 0 0 0 0 0 0 0 0 0 5.3830 7.4275 -8.0535 C 0 0 0 0 0 0 0 0 0 6.5042 7.8868 -8.7854 O 0 0 0 0 0 0 0 0 0 7.6011 8.1898 -7.9432 C 0 0 0 0 0 0 0 0 0 8.0455 6.9353 -7.1912 C 0 0 0 0 0 0 0 0 0 1.9249 5.0275 -7.0625 H 0 0 0 0 0 0 0 0 0 3.1319 2.9673 -6.6518 H 0 0 0 0 0 0 0 0 0 4.8191 3.1853 -10.5242 H 0 0 0 0 0 0 0 0 0 5.0253 1.0198 -9.1431 H 0 0 0 0 0 0 0 0 0 7.2921 -2.2577 -6.3103 H 0 0 0 0 0 0 0 0 0 6.1552 0.6714 -3.9340 H 0 0 0 0 0 0 0 0 0 7.9011 0.6684 -4.1547 H 0 0 0 0 0 0 0 0 0 5.4426 3.2863 -6.2756 H 0 0 0 0 0 0 0 0 0 4.7465 2.0199 -5.2907 H 0 0 0 0 0 0 0 0 0 6.6521 -1.0659 -2.8437 H 0 0 0 0 0 0 0 0 0 9.3002 -3.3409 -5.2305 H 0 0 0 0 0 0 0 0 0 7.7232 -1.9123 -0.8490 H 0 0 0 0 0 0 0 0 0 8.8900 4.3114 -6.5721 H 0 0 0 0 0 0 0 0 0 7.3299 3.8464 -7.2109 H 0 0 0 0 0 0 0 0 0 6.3413 4.9440 -5.0597 H 0 0 0 0 0 0 0 0 0 7.9359 5.5969 -4.8119 H 0 0 0 0 0 0 0 0 0 5.9459 5.3749 -8.0470 H 0 0 0 0 0 0 0 0 0 4.8939 5.8356 -6.7108 H 0 0 0 0 0 0 0 0 0 4.5739 7.2351 -8.7416 H 0 0 0 0 0 0 0 0 0 5.0605 8.1773 -7.3444 H 0 0 0 0 0 0 0 0 0 8.4209 8.5487 -8.5483 H 0 0 0 0 0 0 0 0 0 7.3296 8.9611 -7.2357 H 0 0 0 0 0 0 0 0 0 8.8410 7.1935 -6.5068 H 0 0 0 0 0 0 0 0 0 8.4175 6.2249 -7.9159 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 38 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 26 1 0 0 0 0 16 17 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 2 0 0 0 0 18 19 1 0 0 0 0 19 25 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END > 638646 > K $$$$ 639475 1016 111283D 639475 35 36 0 1 V2000 -5.4311 -3.5427 -2.0324 N 0 0 0 0 0 0 0 0 0 -9.2867 -6.3588 -2.6262 O 0 0 0 0 0 0 0 0 0 -5.5676 -1.8864 -0.3361 C 0 0 0 0 0 0 0 0 0 -5.9441 -1.4684 0.9359 C 0 0 0 0 0 0 0 0 0 -6.5740 -2.3633 1.7945 C 0 0 0 0 0 0 0 0 0 -6.8071 -3.6670 1.3796 C 0 0 0 0 0 0 0 0 0 -6.4199 -4.0774 0.1112 C 0 0 0 0 0 0 0 0 0 -5.8087 -3.1865 -0.7664 C 0 0 0 0 0 0 0 0 0 -5.2200 0.7330 0.5550 O 0 0 0 0 0 0 0 0 0 -5.9020 0.3468 2.6347 O 0 0 0 0 0 0 0 0 0 -7.0904 -1.9043 3.3941 Cl 0 0 0 0 0 0 0 0 0 -5.6634 -0.0537 1.3581 C 0 0 0 0 0 0 0 0 0 -5.7990 1.7483 2.8210 C 0 0 0 0 0 0 0 0 0 -5.9760 -4.5570 -2.7715 C 0 0 0 0 0 0 0 0 0 -5.0613 -5.2363 -3.8388 S 0 0 0 0 0 0 0 0 0 -7.4004 -5.0345 -2.6085 C 0 0 0 0 0 0 0 0 0 -7.9340 -6.2847 -2.8811 C 0 0 0 0 0 0 0 0 0 -8.4576 -4.2807 -2.1445 C 0 0 0 0 0 0 0 0 0 -9.5736 -5.0939 -2.1661 C 0 0 0 0 0 0 0 0 0 -7.1788 -7.4721 -3.3950 C 0 0 0 0 0 0 0 0 0 -5.9130 2.1320 4.2973 C 0 0 0 0 0 0 0 0 0 -7.0760 1.6237 4.8411 F 0 0 0 0 0 0 0 0 0 -4.8280 1.6468 5.0001 F 0 0 0 0 0 0 0 0 0 -5.9352 3.5076 4.4190 F 0 0 0 0 0 0 0 0 0 -4.7112 -3.0383 -2.4460 H 0 0 0 0 0 0 0 0 0 -5.0939 -1.2094 -0.9849 H 0 0 0 0 0 0 0 0 0 -7.2783 -4.3452 2.0293 H 0 0 0 0 0 0 0 0 0 -6.5933 -5.0718 -0.1761 H 0 0 0 0 0 0 0 0 0 -4.8548 2.1243 2.4521 H 0 0 0 0 0 0 0 0 0 -6.6027 2.2366 2.2882 H 0 0 0 0 0 0 0 0 0 -8.4249 -3.2783 -1.8350 H 0 0 0 0 0 0 0 0 0 -10.5327 -4.7855 -1.8667 H 0 0 0 0 0 0 0 0 0 -7.8196 -8.3401 -3.3447 H 0 0 0 0 0 0 0 0 0 -6.8923 -7.3055 -4.4226 H 0 0 0 0 0 0 0 0 0 -6.3017 -7.6435 -2.7891 H 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 19 1 0 0 0 0 2 17 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 12 1 0 0 0 0 4 5 1 0 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 M END > 639475 > K $$$$ 639754 1016 111283D 639754 37 39 0 1 V2000 2.3766 2.8667 0.7766 N 0 0 0 0 0 0 0 0 0 3.1184 2.1273 1.6275 C 0 0 0 0 0 0 0 0 0 3.8620 4.2226 1.7127 C 0 0 0 0 0 0 0 0 0 2.8131 4.1440 0.8149 C 0 0 0 0 0 0 0 0 0 1.2984 2.3785 -0.0381 C 0 0 0 0 0 0 0 0 0 1.6003 2.6516 -1.4856 C 0 0 0 0 0 0 0 0 0 0.8959 3.6386 -2.1749 C 0 0 0 0 0 0 0 0 0 1.1651 3.9064 -3.5136 C 0 0 0 0 0 0 0 0 0 2.1531 3.1648 -4.1420 C 0 0 0 0 0 0 0 0 0 2.8497 2.1882 -3.4607 C 0 0 0 0 0 0 0 0 0 2.5898 1.9114 -2.1275 C 0 0 0 0 0 0 0 0 0 3.7271 1.6518 -4.3191 N 0 0 0 0 0 0 0 0 0 3.5708 2.2878 -5.4946 C 0 0 0 0 0 0 0 0 0 2.6014 3.2246 -5.4075 N 0 0 0 0 0 0 0 0 0 4.3007 2.0056 -6.5952 N 0 0 0 0 0 0 0 0 0 4.1479 2.6861 -7.7511 C 0 0 0 0 0 0 0 0 0 3.3577 3.5950 -7.8444 O 0 0 0 0 0 0 0 0 0 4.9161 2.3131 -8.8079 O 0 0 0 0 0 0 0 0 0 4.7539 3.1642 -9.9240 C 0 0 0 0 0 0 0 0 0 5.6790 2.6754 -11.0315 C 0 0 0 0 0 0 0 0 0 4.0539 2.9531 2.2243 C 0 0 0 0 0 0 0 0 0 3.0081 1.0982 1.8095 H 0 0 0 0 0 0 0 0 0 4.4085 5.0845 1.9585 H 0 0 0 0 0 0 0 0 0 2.4247 4.9461 0.2575 H 0 0 0 0 0 0 0 0 0 1.1698 1.3143 0.1028 H 0 0 0 0 0 0 0 0 0 0.3815 2.8689 0.2575 H 0 0 0 0 0 0 0 0 0 0.1507 4.1907 -1.6814 H 0 0 0 0 0 0 0 0 0 0.6379 4.6480 -4.0374 H 0 0 0 0 0 0 0 0 0 3.1260 1.1646 -1.6204 H 0 0 0 0 0 0 0 0 0 4.3573 0.9405 -4.1317 H 0 0 0 0 0 0 0 0 0 4.9559 1.2968 -6.5647 H 0 0 0 0 0 0 0 0 0 3.7333 3.1386 -10.2814 H 0 0 0 0 0 0 0 0 0 5.0160 4.1820 -9.6652 H 0 0 0 0 0 0 0 0 0 6.7030 2.7074 -10.6891 H 0 0 0 0 0 0 0 0 0 5.4211 1.6589 -11.2895 H 0 0 0 0 0 0 0 0 0 5.5711 3.3056 -11.9022 H 0 0 0 0 0 0 0 0 0 4.7743 2.6687 2.9329 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 21 2 0 0 0 0 2 22 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 11 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 14 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 10 11 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 M END > 639754 > K $$$$ 639828 1016 111283D 639828 41 43 0 1 V2000 10.2790 -2.2261 -3.3661 C 0 0 0 0 0 0 0 0 0 9.2764 -3.1335 -3.0372 C 0 0 0 0 0 0 0 0 0 8.2087 -3.3216 -3.9173 C 0 0 0 0 0 0 0 0 0 8.1363 -2.5600 -5.0786 C 0 0 0 0 0 0 0 0 0 9.1352 -1.6502 -5.3959 C 0 0 0 0 0 0 0 0 0 10.2154 -1.4889 -4.5408 C 0 0 0 0 0 0 0 0 0 7.0992 -4.3178 -3.6894 C 0 0 0 0 0 0 0 0 0 6.0028 -4.0517 -4.1191 O 0 0 0 0 0 0 0 0 0 7.2688 -5.4978 -3.0389 N 0 0 0 0 0 0 0 0 0 6.2200 -6.1585 -2.4920 C 0 0 0 0 0 0 0 0 0 5.1958 -5.5701 -2.2487 O 0 0 0 0 0 0 0 0 0 6.3264 -7.4859 -2.2207 N 0 0 0 0 0 0 0 0 0 5.4410 -8.1938 -1.4548 C 0 0 0 0 0 0 0 0 0 4.6181 -7.6078 -0.4959 C 0 0 0 0 0 0 0 0 0 3.7333 -8.3811 0.2471 C 0 0 0 0 0 0 0 0 0 3.6534 -9.7517 0.0428 C 0 0 0 0 0 0 0 0 0 4.4780 -10.3443 -0.9083 C 0 0 0 0 0 0 0 0 0 5.3640 -9.5688 -1.6444 C 0 0 0 0 0 0 0 0 0 4.4218 -12.0610 -1.1984 Cl 0 0 0 0 0 0 0 0 0 2.7749 -10.4875 0.7784 O 0 0 0 0 0 0 0 0 0 1.7115 -10.9784 0.0827 C 0 0 0 0 0 0 0 0 0 1.3968 -10.5535 -1.1655 N 0 0 0 0 0 0 0 0 0 0.3189 -11.0370 -1.8254 C 0 0 0 0 0 0 0 0 0 -0.4752 -12.0105 -1.2379 C 0 0 0 0 0 0 0 0 0 -0.1305 -12.4556 0.0294 C 0 0 0 0 0 0 0 0 0 0.9393 -11.9240 0.6642 N 0 0 0 0 0 0 0 0 0 -1.9927 -12.7149 -2.1424 Br 0 0 0 0 0 0 0 0 0 9.3925 -3.7939 -1.8495 N 0 0 0 0 0 0 0 0 0 11.0967 -2.0920 -2.7202 H 0 0 0 0 0 0 0 0 0 7.3177 -2.6749 -5.7274 H 0 0 0 0 0 0 0 0 0 9.0732 -1.0873 -6.2808 H 0 0 0 0 0 0 0 0 0 10.9809 -0.8104 -4.7815 H 0 0 0 0 0 0 0 0 0 8.1548 -5.8771 -2.9667 H 0 0 0 0 0 0 0 0 0 7.0811 -7.9541 -2.6074 H 0 0 0 0 0 0 0 0 0 4.6588 -6.5733 -0.3215 H 0 0 0 0 0 0 0 0 0 3.1174 -7.9318 0.9690 H 0 0 0 0 0 0 0 0 0 5.9817 -10.0316 -2.3558 H 0 0 0 0 0 0 0 0 0 0.0835 -10.6753 -2.7834 H 0 0 0 0 0 0 0 0 0 -0.7000 -13.2046 0.4970 H 0 0 0 0 0 0 0 0 0 10.1938 -3.6923 -1.3095 H 0 0 0 0 0 0 0 0 0 8.6869 -4.3677 -1.5165 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 2 28 1 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 18 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 17 18 1 0 0 0 0 18 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 M END > 639828 > K $$$$ 640199 1016 111283D 640199 80 86 1 1 V2000 -0.1163 -0.8331 -8.8471 C 0 0 0 0 0 0 0 0 0 -1.2211 -1.1740 -8.0793 C 0 0 0 0 0 0 0 0 0 -1.0342 -1.9916 -6.9724 C 0 0 0 0 0 0 0 0 0 0.2119 -2.4772 -6.6189 C 0 0 0 0 0 0 0 0 0 1.3176 -2.1441 -7.4051 C 0 0 0 0 0 0 0 0 0 1.1411 -1.3167 -8.5087 C 0 0 0 0 0 0 0 0 0 -1.9336 -2.4811 -6.0467 C 0 0 0 0 0 0 0 0 0 -1.2401 -3.3127 -5.1698 C 0 0 0 0 0 0 0 0 0 0.0966 -3.2394 -5.4911 N 0 0 0 0 0 0 0 0 0 -4.1816 -6.2239 -0.8485 C 0 0 0 0 0 0 0 0 0 -2.9305 -6.1223 -1.4458 C 0 0 0 0 0 0 0 0 0 -2.7912 -5.2553 -2.5192 C 0 0 0 0 0 0 0 0 0 -3.8511 -4.5138 -2.9993 C 0 0 0 0 0 0 0 0 0 -5.1024 -4.6141 -2.4045 C 0 0 0 0 0 0 0 0 0 -5.2561 -5.4761 -1.3230 C 0 0 0 0 0 0 0 0 0 -1.6779 -4.9657 -3.2726 N 0 0 0 0 0 0 0 0 0 -1.9986 -4.0002 -4.2117 C 0 0 0 0 0 0 0 0 0 -3.3657 -3.7719 -4.0649 C 0 0 0 0 0 0 0 0 0 -3.2998 -2.2563 -5.9144 C 0 0 0 0 0 0 0 0 0 -4.0154 -2.9051 -4.9299 C 0 0 0 0 0 0 0 0 0 -4.2922 -1.3988 -6.6392 C 0 0 0 0 0 0 0 0 0 -5.5194 -1.5747 -6.0876 N 0 0 0 0 0 0 0 0 0 -5.4380 -2.4666 -5.0685 C 0 0 0 0 0 0 0 0 0 -6.3801 -2.8240 -4.4058 O 0 0 0 0 0 0 0 0 0 -4.0840 -0.6555 -7.5651 O 0 0 0 0 0 0 0 0 0 -6.7214 -0.9171 -6.5182 C 0 0 0 0 0 0 0 0 0 -7.4966 -1.8449 -7.4548 C 0 0 0 0 0 0 0 0 0 -8.7482 -1.2388 -7.9166 N 0 0 0 0 0 0 0 0 0 2.9491 -2.6910 -7.1222 Cl 0 0 0 0 0 0 0 0 0 -1.5801 -7.0542 -0.8640 Cl 0 0 0 0 0 0 0 0 0 1.3065 -3.7751 -4.8883 C 0 0 1 0 0 0 0 0 0 2.1038 -2.6270 -4.6442 O 0 0 0 0 0 0 0 0 0 1.7056 -1.8490 -3.5258 C 0 0 1 0 0 0 0 0 0 1.8058 -2.6354 -2.2151 C 0 0 1 0 0 0 0 0 0 1.0016 -3.9203 -2.3825 C 0 0 1 0 0 0 0 0 0 1.4693 -4.6584 -3.6470 C 0 0 1 0 0 0 0 0 0 2.6099 -0.6288 -3.4025 C 0 0 0 0 0 0 0 0 0 2.2053 0.1399 -2.2869 O 0 0 0 0 0 0 0 0 0 3.1507 -2.9848 -1.9239 O 0 0 0 0 0 0 0 0 0 3.5861 -2.5492 -0.6502 C 0 0 0 0 0 0 0 0 0 1.1018 -4.7475 -1.2381 O 0 0 0 0 0 0 0 0 0 0.9586 -5.9583 -3.8738 O 0 0 0 0 0 0 0 0 0 -8.3983 -1.0842 -10.3587 C 0 0 0 0 0 0 0 0 0 -9.2051 -1.7134 -9.2250 C 0 0 0 0 0 0 0 0 0 -9.8076 -1.1744 -6.9067 C 0 0 0 0 0 0 0 0 0 -10.6329 0.0951 -7.1041 C 0 0 0 0 0 0 0 0 0 -0.2309 -0.2098 -9.6853 H 0 0 0 0 0 0 0 0 0 -2.1646 -0.8125 -8.3478 H 0 0 0 0 0 0 0 0 0 1.9712 -1.0533 -9.0962 H 0 0 0 0 0 0 0 0 0 -4.3145 -6.8711 -0.0324 H 0 0 0 0 0 0 0 0 0 -5.9220 -4.0602 -2.7472 H 0 0 0 0 0 0 0 0 0 -6.1947 -5.5639 -0.8587 H 0 0 0 0 0 0 0 0 0 -0.8296 -5.3945 -3.1376 H 0 0 0 0 0 0 0 0 0 -7.3187 -0.6665 -5.6544 H 0 0 0 0 0 0 0 0 0 -6.4879 -0.0032 -7.0473 H 0 0 0 0 0 0 0 0 0 -6.8424 -2.0628 -8.2870 H 0 0 0 0 0 0 0 0 0 -7.7063 -2.7746 -6.9452 H 0 0 0 0 0 0 0 0 0 1.7761 -4.3694 -5.6597 H 0 0 0 0 0 0 0 0 0 0.6909 -1.5021 -3.6612 H 0 0 0 0 0 0 0 0 0 1.3502 -2.0503 -1.4266 H 0 0 0 0 0 0 0 0 0 -0.0214 -3.5975 -2.4862 H 0 0 0 0 0 0 0 0 0 2.5384 -4.7845 -3.5321 H 0 0 0 0 0 0 0 0 0 3.6302 -0.9663 -3.2809 H 0 0 0 0 0 0 0 0 0 2.5338 -0.0486 -4.3110 H 0 0 0 0 0 0 0 0 0 2.7908 0.8863 -2.1995 H 0 0 0 0 0 0 0 0 0 3.5769 -1.4692 -0.6051 H 0 0 0 0 0 0 0 0 0 2.9544 -2.9465 0.1329 H 0 0 0 0 0 0 0 0 0 4.5969 -2.8949 -0.4893 H 0 0 0 0 0 0 0 0 0 2.0207 -4.9417 -1.0696 H 0 0 0 0 0 0 0 0 0 1.1470 -6.5007 -3.1124 H 0 0 0 0 0 0 0 0 0 -8.4875 -0.0088 -10.3082 H 0 0 0 0 0 0 0 0 0 -7.3565 -1.3572 -10.2902 H 0 0 0 0 0 0 0 0 0 -8.7846 -1.4281 -11.3071 H 0 0 0 0 0 0 0 0 0 -9.1342 -2.7913 -9.2810 H 0 0 0 0 0 0 0 0 0 -10.2368 -1.4386 -9.3918 H 0 0 0 0 0 0 0 0 0 -10.4469 -2.0452 -6.9681 H 0 0 0 0 0 0 0 0 0 -9.4017 -1.1325 -5.9063 H 0 0 0 0 0 0 0 0 0 -11.3921 0.1592 -6.3387 H 0 0 0 0 0 0 0 0 0 -9.9832 0.9552 -7.0341 H 0 0 0 0 0 0 0 0 0 -11.1109 0.0950 -8.0719 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 48 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 9 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 5 6 2 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 10 50 1 0 0 0 0 11 30 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 21 25 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 31 58 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 33 37 1 0 0 0 0 33 59 1 0 0 0 0 34 39 1 0 0 0 0 34 35 1 6 0 0 0 34 60 1 1 0 0 0 35 41 1 1 0 0 0 35 36 1 6 0 0 0 35 61 1 0 0 0 0 36 42 1 6 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 69 1 0 0 0 0 42 70 1 0 0 0 0 43 44 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 45 46 1 0 0 0 0 45 76 1 0 0 0 0 45 77 1 0 0 0 0 46 78 1 0 0 0 0 46 79 1 0 0 0 0 46 80 1 0 0 0 0 M END > 640199 > K $$$$ 640335 1016 111283D 640335 59 63 0 2 V2000 7.5738 2.3958 -1.6155 C 0 0 0 0 0 0 0 0 0 7.2633 1.6820 -2.7655 C 0 0 0 0 0 0 0 0 0 6.4455 0.5605 -2.7041 C 0 0 0 0 0 0 0 0 0 5.9188 0.1761 -1.4738 C 0 0 0 0 0 0 0 0 0 6.2273 0.8859 -0.3204 C 0 0 0 0 0 0 0 0 0 7.0588 1.9954 -0.3888 C 0 0 0 0 0 0 0 0 0 8.6105 3.7897 -1.7289 Cl 0 0 0 0 0 0 0 0 0 7.4445 2.8705 1.0664 Cl 0 0 0 0 0 0 0 0 0 6.1851 -0.1222 -3.8566 N 0 0 0 0 0 0 0 0 0 5.9791 -1.4627 -3.9153 C 0 0 0 0 0 0 0 0 0 5.3481 -2.0499 -4.9488 N 0 0 0 0 0 0 0 0 0 5.2484 -3.3873 -4.8041 C 0 0 0 0 0 0 0 0 0 5.8594 -3.8608 -3.6534 C 0 0 0 0 0 0 0 0 0 6.4826 -2.5761 -2.7241 S 0 0 0 0 0 0 0 0 0 4.5347 -4.2360 -5.8134 C 0 0 0 0 0 0 0 0 0 5.9897 -5.2934 -3.2290 C 0 0 0 0 0 0 0 0 0 5.5233 -6.2148 -3.9419 N 0 0 0 0 0 0 0 0 0 6.7107 -5.5795 -1.9369 C 0 0 0 0 0 0 0 0 0 7.2289 -6.7899 -1.6802 C 0 0 0 0 0 0 0 0 0 8.0492 -7.1062 -0.4570 C 0 0 0 0 0 0 0 0 0 8.5297 -6.1110 0.3919 C 0 0 0 0 0 0 0 0 0 9.2996 -6.4779 1.4845 C 0 0 0 0 0 0 0 0 0 9.5837 -7.7985 1.7426 C 0 0 0 0 0 0 0 0 0 9.1014 -8.8027 0.9180 C 0 0 0 0 0 0 0 0 0 8.3312 -8.4436 -0.1831 C 0 0 0 0 0 0 0 0 0 10.3499 -7.9322 2.8452 O 0 0 0 0 0 0 0 0 0 10.5396 -6.5820 3.2503 C 0 0 0 0 0 0 0 0 0 9.8571 -5.6642 2.4053 O 0 0 0 0 0 0 0 0 0 4.9540 -7.2796 -3.5519 N 0 0 0 0 0 0 0 0 0 4.7092 -8.2927 -4.4361 C 0 0 0 0 0 0 0 0 0 5.3642 -8.2081 -5.6621 C 0 0 0 0 0 0 0 0 0 5.2085 -9.1833 -6.6337 C 0 0 0 0 0 0 0 0 0 4.3871 -10.2688 -6.3753 C 0 0 0 0 0 0 0 0 0 3.7172 -10.3628 -5.1647 C 0 0 0 0 0 0 0 0 0 3.8639 -9.3809 -4.1923 C 0 0 0 0 0 0 0 0 0 3.1577 -9.5417 -3.0373 N 0 3 0 0 0 0 0 0 0 2.4585 -10.5657 -2.8569 O 0 0 0 0 0 0 0 0 0 3.1824 -8.5452 -1.9775 O 0 5 0 0 0 0 0 0 0 4.2148 -11.2565 -7.2812 N 0 3 0 0 0 0 0 0 0 4.7633 -11.2302 -8.4056 O 0 0 0 0 0 0 0 0 0 3.3566 -12.3628 -6.8893 O 0 5 0 0 0 0 0 0 0 7.6529 1.9911 -3.6898 H 0 0 0 0 0 0 0 0 0 5.2796 -0.6540 -1.4069 H 0 0 0 0 0 0 0 0 0 5.8317 0.5844 0.6052 H 0 0 0 0 0 0 0 0 0 6.1446 0.3663 -4.6935 H 0 0 0 0 0 0 0 0 0 4.3446 -3.6504 -6.7002 H 0 0 0 0 0 0 0 0 0 5.1341 -5.0931 -6.0781 H 0 0 0 0 0 0 0 0 0 3.5924 -4.5654 -5.3992 H 0 0 0 0 0 0 0 0 0 6.8104 -4.8068 -1.2328 H 0 0 0 0 0 0 0 0 0 7.0606 -7.5651 -2.3672 H 0 0 0 0 0 0 0 0 0 8.3273 -5.0958 0.2251 H 0 0 0 0 0 0 0 0 0 9.3168 -9.8090 1.1252 H 0 0 0 0 0 0 0 0 0 7.9586 -9.1966 -0.8140 H 0 0 0 0 0 0 0 0 0 10.1845 -6.4623 4.2647 H 0 0 0 0 0 0 0 0 0 11.5966 -6.3542 3.2312 H 0 0 0 0 0 0 0 0 0 4.6793 -7.3704 -2.6194 H 0 0 0 0 0 0 0 0 0 5.9936 -7.3916 -5.8636 H 0 0 0 0 0 0 0 0 0 5.7098 -9.0970 -7.5528 H 0 0 0 0 0 0 0 0 0 3.0929 -11.1909 -4.9911 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 3 9 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 44 1 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 14 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 28 1 0 0 0 0 22 23 2 0 0 0 0 23 26 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 35 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 39 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 36 37 2 0 0 0 0 39 41 1 0 0 0 0 39 40 2 0 0 0 0 M CHG 4 36 1 38 -1 39 1 41 -1 M END > 640335 > K $$$$ 640342 1016 111283D 640342 112118 0 2 V2000 30.5102 -41.2994 34.6524 C 0 0 0 0 0 0 0 0 0 30.7867 -42.7446 34.3465 C 0 0 0 0 0 0 0 0 0 30.2294 -43.7350 35.1458 C 0 0 0 0 0 0 0 0 0 30.4359 -45.0783 34.8607 C 0 0 0 0 0 0 0 0 0 31.2231 -45.4379 33.7721 C 0 0 0 0 0 0 0 0 0 31.5936 -43.1038 33.2736 C 0 0 0 0 0 0 0 0 0 31.8117 -44.4469 32.9892 C 0 0 0 0 0 0 0 0 0 29.8621 -46.0337 35.6436 N 0 3 0 0 0 0 0 0 0 29.2807 -45.7117 36.7013 O 0 0 0 0 0 0 0 0 0 29.8995 -47.4509 35.2856 O 0 5 0 0 0 0 0 0 0 31.3970 -46.7597 33.4982 N 0 0 0 0 0 0 0 0 0 31.0927 -47.2889 32.2967 C 0 0 0 0 0 0 0 0 0 30.3165 -46.4026 31.0754 S 0 0 0 0 0 0 0 0 0 30.3050 -47.7762 30.0758 C 0 0 0 0 0 0 0 0 0 30.9373 -48.8426 30.7006 C 0 0 0 0 0 0 0 0 0 31.3600 -48.5575 31.9463 N 0 0 0 0 0 0 0 0 0 31.1608 -50.2038 30.1090 C 0 0 0 0 0 0 0 0 0 29.6804 -47.8061 28.7101 C 0 0 0 0 0 0 0 0 0 29.6825 -48.8934 28.0829 N 0 0 0 0 0 0 0 0 0 29.0317 -46.6288 28.0071 C 0 0 0 0 0 0 0 0 0 28.9160 -45.3693 28.4611 C 0 0 0 0 0 0 0 0 0 28.2176 -44.2721 27.6942 C 0 0 0 0 0 0 0 0 0 27.6440 -44.4753 26.4436 C 0 0 0 0 0 0 0 0 0 27.0002 -43.4388 25.7837 C 0 0 0 0 0 0 0 0 0 26.9148 -42.1753 26.3577 C 0 0 0 0 0 0 0 0 0 27.4994 -41.9659 27.6014 C 0 0 0 0 0 0 0 0 0 28.1441 -43.0047 28.2623 C 0 0 0 0 0 0 0 0 0 26.2107 -41.0270 25.6798 C 0 0 0 0 0 0 0 0 0 25.6207 -41.1375 24.4793 C 0 0 0 0 0 0 0 0 0 24.9058 -39.9947 23.8218 C 0 0 0 0 0 0 0 0 0 26.1749 -37.6722 24.8937 S 0 0 0 0 0 0 0 0 0 25.1148 -36.4388 25.4243 C 0 0 0 0 0 0 0 0 0 23.8179 -36.7806 25.3012 N 0 0 0 0 0 0 0 0 0 23.6482 -38.0078 24.7802 C 0 0 0 0 0 0 0 0 0 22.2885 -38.6073 24.5793 C 0 0 0 0 0 0 0 0 0 24.3448 -40.1881 22.7143 N 0 0 0 0 0 0 0 0 0 24.0751 -50.9638 30.2482 C 0 0 0 0 0 0 0 0 0 23.4157 -49.9501 30.9287 C 0 0 0 0 0 0 0 0 0 24.0374 -48.7242 31.1157 C 0 0 0 0 0 0 0 0 0 25.3186 -48.5298 30.6193 C 0 0 0 0 0 0 0 0 0 25.9622 -49.5344 29.9506 N 0 3 0 0 0 0 0 0 0 25.3546 -50.7404 29.7586 C 0 0 0 0 0 0 0 0 0 25.5777 -35.2581 25.9132 N 0 0 0 0 0 0 0 0 0 24.8346 -34.1848 26.3411 C 0 0 0 0 0 0 0 0 0 25.3712 -33.2212 27.2025 C 0 0 0 0 0 0 0 0 0 24.5732 -32.1752 27.6571 C 0 0 0 0 0 0 0 0 0 23.2467 -32.0553 27.2666 C 0 0 0 0 0 0 0 0 0 22.7216 -32.9839 26.3816 C 0 0 0 0 0 0 0 0 0 23.5142 -34.0258 25.9210 C 0 0 0 0 0 0 0 0 0 26.6643 -33.2333 27.6470 N 0 3 0 0 0 0 0 0 0 27.0800 -32.3049 28.3758 O 0 0 0 0 0 0 0 0 0 27.6273 -34.2805 27.3251 O 0 5 0 0 0 0 0 0 0 22.3835 -30.9407 27.7869 C 0 0 0 0 0 0 0 0 0 24.8398 -38.6373 24.4633 C 0 0 0 0 0 0 0 0 0 24.1332 -39.2784 21.8568 N 0 0 0 0 0 0 0 0 0 20.0441 -41.5641 18.4890 C 0 0 0 0 0 0 0 0 0 19.1484 -41.3162 19.5194 C 0 0 0 0 0 0 0 0 0 19.6192 -40.9541 20.7728 C 0 0 0 0 0 0 0 0 0 20.9871 -40.8449 20.9811 C 0 0 0 0 0 0 0 0 0 21.8641 -41.0879 19.9615 N 0 3 0 0 0 0 0 0 0 21.4072 -41.4440 18.7243 C 0 0 0 0 0 0 0 0 0 23.5996 -39.5595 20.6444 C 0 0 0 0 0 0 0 0 0 23.3614 -38.6567 19.8814 O 0 0 0 0 0 0 0 0 0 23.2867 -40.9600 20.2096 C 0 0 0 0 0 0 0 0 0 28.7208 -49.3051 27.3761 N 0 0 0 0 0 0 0 0 0 27.4970 -49.4979 27.9532 C 0 0 0 0 0 0 0 0 0 26.5521 -49.8162 27.2744 O 0 0 0 0 0 0 0 0 0 27.3010 -49.3228 29.4420 C 0 0 0 0 0 0 0 0 0 31.2566 -40.9246 35.3378 H 0 0 0 0 0 0 0 0 0 30.5302 -40.7090 33.7478 H 0 0 0 0 0 0 0 0 0 29.5346 -41.1996 35.1066 H 0 0 0 0 0 0 0 0 0 29.6417 -43.4686 35.9734 H 0 0 0 0 0 0 0 0 0 32.0389 -42.3602 32.6761 H 0 0 0 0 0 0 0 0 0 32.4275 -44.7085 32.1776 H 0 0 0 0 0 0 0 0 0 31.7354 -47.3566 34.1872 H 0 0 0 0 0 0 0 0 0 31.4943 -50.1299 29.0845 H 0 0 0 0 0 0 0 0 0 31.9187 -50.7217 30.6785 H 0 0 0 0 0 0 0 0 0 30.2412 -50.7666 30.1562 H 0 0 0 0 0 0 0 0 0 28.6371 -46.8385 27.0597 H 0 0 0 0 0 0 0 0 0 29.3173 -45.0994 29.3858 H 0 0 0 0 0 0 0 0 0 27.6844 -45.4101 25.9729 H 0 0 0 0 0 0 0 0 0 26.5815 -43.6341 24.8435 H 0 0 0 0 0 0 0 0 0 27.4565 -41.0159 28.0501 H 0 0 0 0 0 0 0 0 0 28.5782 -42.8214 29.2018 H 0 0 0 0 0 0 0 0 0 26.1862 -40.1027 26.1796 H 0 0 0 0 0 0 0 0 0 25.6456 -42.0478 23.9623 H 0 0 0 0 0 0 0 0 0 21.9000 -38.2985 23.6205 H 0 0 0 0 0 0 0 0 0 22.3418 -39.6852 24.6198 H 0 0 0 0 0 0 0 0 0 21.6294 -38.2600 25.3613 H 0 0 0 0 0 0 0 0 0 23.6086 -51.8945 30.1046 H 0 0 0 0 0 0 0 0 0 22.4461 -50.1098 31.3025 H 0 0 0 0 0 0 0 0 0 23.5428 -47.9507 31.6283 H 0 0 0 0 0 0 0 0 0 25.7754 -47.5919 30.7731 H 0 0 0 0 0 0 0 0 0 25.8427 -51.5169 29.2392 H 0 0 0 0 0 0 0 0 0 26.5436 -35.1959 25.9596 H 0 0 0 0 0 0 0 0 0 24.9792 -31.4608 28.3107 H 0 0 0 0 0 0 0 0 0 21.7244 -32.9018 26.0584 H 0 0 0 0 0 0 0 0 0 23.0835 -34.6936 25.2396 H 0 0 0 0 0 0 0 0 0 22.1566 -30.2545 26.9839 H 0 0 0 0 0 0 0 0 0 21.4612 -31.3478 28.1757 H 0 0 0 0 0 0 0 0 0 22.8855 -30.4031 28.5783 H 0 0 0 0 0 0 0 0 0 24.3540 -38.3451 22.0316 H 0 0 0 0 0 0 0 0 0 19.6914 -41.8404 17.5378 H 0 0 0 0 0 0 0 0 0 18.1139 -41.4028 19.3507 H 0 0 0 0 0 0 0 0 0 18.9456 -40.7639 21.5573 H 0 0 0 0 0 0 0 0 0 21.3316 -40.5706 21.9392 H 0 0 0 0 0 0 0 0 0 22.0728 -41.6333 17.9292 H 0 0 0 0 0 0 0 0 0 23.6127 -41.6531 20.9722 H 0 0 0 0 0 0 0 0 0 23.8820 -41.1404 19.3254 H 0 0 0 0 0 0 0 0 0 28.8442 -49.4946 26.4295 H 0 0 0 0 0 0 0 0 0 27.5988 -48.3176 29.6900 H 0 0 0 0 0 0 0 0 0 27.9933 -49.9949 29.9291 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 69 1 0 0 0 0 1 70 1 0 0 0 0 1 71 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 72 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 6 73 1 0 0 0 0 7 74 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 11 12 1 0 0 0 0 11 75 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 18 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 76 1 0 0 0 0 17 77 1 0 0 0 0 17 78 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 65 1 0 0 0 0 20 21 2 0 0 0 0 20 79 1 0 0 0 0 21 22 1 0 0 0 0 21 80 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 81 1 0 0 0 0 24 25 2 0 0 0 0 24 82 1 0 0 0 0 25 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 83 1 0 0 0 0 27 84 1 0 0 0 0 28 29 2 0 0 0 0 28 85 1 0 0 0 0 29 30 1 0 0 0 0 29 86 1 0 0 0 0 30 36 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 43 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 54 2 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 55 1 0 0 0 0 37 42 1 0 0 0 0 37 38 2 0 0 0 0 37 90 1 0 0 0 0 38 39 1 0 0 0 0 38 91 1 0 0 0 0 39 40 2 0 0 0 0 39 92 1 0 0 0 0 40 41 1 0 0 0 0 40 93 1 0 0 0 0 41 68 1 0 0 0 0 41 42 2 0 0 0 0 42 94 1 0 0 0 0 43 44 1 0 0 0 0 43 95 1 0 0 0 0 44 45 2 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 96 1 0 0 0 0 47 53 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 97 1 0 0 0 0 49 98 1 0 0 0 0 50 52 1 0 0 0 0 50 51 2 0 0 0 0 53 99 1 0 0 0 0 53100 1 0 0 0 0 53101 1 0 0 0 0 55 62 1 0 0 0 0 55102 1 0 0 0 0 56 61 1 0 0 0 0 56 57 2 0 0 0 0 56103 1 0 0 0 0 57 58 1 0 0 0 0 57104 1 0 0 0 0 58 59 2 0 0 0 0 58105 1 0 0 0 0 59 60 1 0 0 0 0 59106 1 0 0 0 0 60 64 1 0 0 0 0 60 61 2 0 0 0 0 61107 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 64108 1 0 0 0 0 64109 1 0 0 0 0 65 66 1 0 0 0 0 65110 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 68111 1 0 0 0 0 68112 1 0 0 0 0 M CHG 6 8 1 10 -1 41 1 50 1 52 -1 60 1 M END > 640342 > K $$$$ 640391 1016 111283D 640391 36 36 1 1 V2000 0.3689 1.3023 0.2639 C 0 0 0 0 0 0 0 0 0 0.0419 -0.1151 -0.0546 C 0 0 1 0 0 0 0 0 0 1.3371 -0.8273 0.3443 C 0 0 0 0 0 0 0 0 0 2.4390 0.2338 0.4470 C 0 0 0 0 0 0 0 0 0 1.8239 1.5936 0.1079 C 0 0 2 0 0 0 0 0 0 -0.4617 2.1120 0.6038 O 0 0 0 0 0 0 0 0 0 -1.3664 -2.0832 0.4490 N 0 0 0 0 0 0 0 0 0 -2.2745 -2.6968 1.4127 C 0 0 0 0 0 0 0 0 0 1.8384 4.0314 0.6025 N 0 0 0 0 0 0 0 0 0 1.8724 4.9963 1.6968 C 0 0 0 0 0 0 0 0 0 2.3829 4.5715 -0.6415 C 0 0 0 0 0 0 0 0 0 2.3610 2.7224 0.9899 C 0 0 0 0 0 0 0 0 0 1.9963 1.8059 -0.9358 H 0 0 0 0 0 0 0 0 0 -1.6552 -2.4766 -0.9287 C 0 0 0 0 0 0 0 0 0 -1.2008 -0.6451 0.6619 C 0 0 0 0 0 0 0 0 0 -0.0912 -0.1626 -1.1245 H 0 0 0 0 0 0 0 0 0 1.2220 -1.2914 1.3143 H 0 0 0 0 0 0 0 0 0 1.5886 -1.5904 -0.3789 H 0 0 0 0 0 0 0 0 0 2.8102 0.2379 1.4625 H 0 0 0 0 0 0 0 0 0 3.2576 0.0176 -0.2246 H 0 0 0 0 0 0 0 0 0 -2.2555 -3.7720 1.3057 H 0 0 0 0 0 0 0 0 0 -1.9650 -2.4544 2.4195 H 0 0 0 0 0 0 0 0 0 -3.2846 -2.3432 1.2601 H 0 0 0 0 0 0 0 0 0 1.3644 4.5906 2.5604 H 0 0 0 0 0 0 0 0 0 2.8938 5.2275 1.9649 H 0 0 0 0 0 0 0 0 0 1.3660 5.9057 1.4067 H 0 0 0 0 0 0 0 0 0 2.1921 3.9022 -1.4668 H 0 0 0 0 0 0 0 0 0 1.9157 5.5185 -0.8709 H 0 0 0 0 0 0 0 0 0 3.4499 4.7202 -0.5518 H 0 0 0 0 0 0 0 0 0 2.0846 2.4946 2.0107 H 0 0 0 0 0 0 0 0 0 3.4402 2.7416 0.9281 H 0 0 0 0 0 0 0 0 0 -0.8480 -2.1857 -1.5843 H 0 0 0 0 0 0 0 0 0 -1.7605 -3.5498 -0.9972 H 0 0 0 0 0 0 0 0 0 -2.5692 -2.0115 -1.2703 H 0 0 0 0 0 0 0 0 0 -1.0856 -0.4395 1.7178 H 0 0 0 0 0 0 0 0 0 -2.0747 -0.1144 0.3090 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 15 1 0 0 0 0 2 3 1 1 0 0 0 2 16 1 6 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 12 1 1 0 0 0 5 13 1 6 0 0 0 7 15 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 M END > 640391 > K $$$$ 640499 1016 111283D 640499 47 50 0 1 V2000 -1.9566 0.7656 3.4955 C 0 0 0 0 0 0 0 0 0 -2.0780 -0.7406 3.5787 C 0 0 0 0 0 0 0 0 0 -1.3681 -1.5559 2.7026 C 0 0 0 0 0 0 0 0 0 -1.4901 -2.9364 2.7764 C 0 0 0 0 0 0 0 0 0 -2.3007 -3.4799 3.7134 N 0 0 0 0 0 0 0 0 0 -3.0031 -2.7226 4.5880 C 0 0 0 0 0 0 0 0 0 -2.8993 -1.3391 4.5288 C 0 0 0 0 0 0 0 0 0 -0.7322 -3.8243 1.8283 C 0 0 0 0 0 0 0 0 0 0.0802 -3.2845 0.8853 N 0 0 0 0 0 0 0 0 0 0.7795 -4.0475 0.0129 C 0 0 0 0 0 0 0 0 0 0.6743 -5.4303 0.0697 C 0 0 0 0 0 0 0 0 0 -0.1499 -6.0090 1.0250 C 0 0 0 0 0 0 0 0 0 -0.8568 -5.2054 1.9089 C 0 0 0 0 0 0 0 0 0 -3.8850 -3.3868 5.6088 C 0 0 0 0 0 0 0 0 0 -4.5921 -2.6407 6.4940 N 0 0 0 0 0 0 0 0 0 -5.3979 -3.2009 7.4265 C 0 0 0 0 0 0 0 0 0 -5.5167 -4.5821 7.4947 C 0 0 0 0 0 0 0 0 0 -4.8033 -5.3691 6.6014 C 0 0 0 0 0 0 0 0 0 -3.9834 -4.7717 5.6541 C 0 0 0 0 0 0 0 0 0 -2.2229 1.5749 4.5964 C 0 0 0 0 0 0 0 0 0 -2.1076 2.9563 4.5048 C 0 0 0 0 0 0 0 0 0 -1.7209 3.5612 3.3167 C 0 0 0 0 0 0 0 0 0 -1.4544 2.7535 2.2151 C 0 0 0 0 0 0 0 0 0 -1.5723 1.3741 2.3048 C 0 0 0 0 0 0 0 0 0 -1.6303 4.9239 3.3191 O 0 0 0 0 0 0 0 0 0 -1.1803 5.5481 2.1308 C 0 0 0 0 0 0 0 0 0 -1.0305 7.0436 2.3679 C 0 0 0 0 0 0 0 0 0 -0.5820 7.6440 1.1717 O 0 0 0 0 0 0 0 0 0 -0.7319 -1.1400 1.9795 H 0 0 0 0 0 0 0 0 0 -3.4486 -0.7548 5.2055 H 0 0 0 0 0 0 0 0 0 1.3990 -3.5929 -0.7036 H 0 0 0 0 0 0 0 0 0 1.2121 -6.0316 -0.6025 H 0 0 0 0 0 0 0 0 0 -0.2392 -7.0542 1.0798 H 0 0 0 0 0 0 0 0 0 -1.4811 -5.6403 2.6329 H 0 0 0 0 0 0 0 0 0 -5.9307 -2.5906 8.0953 H 0 0 0 0 0 0 0 0 0 -6.1393 -5.0263 8.2141 H 0 0 0 0 0 0 0 0 0 -4.8829 -6.4158 6.6414 H 0 0 0 0 0 0 0 0 0 -3.4420 -5.3646 4.9770 H 0 0 0 0 0 0 0 0 0 -2.5115 1.1517 5.5127 H 0 0 0 0 0 0 0 0 0 -2.3135 3.5553 5.3422 H 0 0 0 0 0 0 0 0 0 -1.1615 3.1747 1.3007 H 0 0 0 0 0 0 0 0 0 -1.3675 0.7989 1.4516 H 0 0 0 0 0 0 0 0 0 -0.2137 5.1636 1.8357 H 0 0 0 0 0 0 0 0 0 -1.8912 5.3979 1.3306 H 0 0 0 0 0 0 0 0 0 -1.9879 7.4475 2.6641 H 0 0 0 0 0 0 0 0 0 -0.3147 7.1968 3.1630 H 0 0 0 0 0 0 0 0 0 -0.4773 8.5791 1.3160 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 2 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 6 14 1 0 0 0 0 6 7 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END > 640499 > K $$$$ 640506 1016 111283D 640506 72 71 0 1 V2000 -7.6836 -13.9834 10.1737 C 0 0 0 0 0 0 0 0 0 -6.9727 -13.3726 8.9697 C 0 0 0 0 0 0 0 0 0 -5.8578 -12.5473 9.4149 N 0 0 0 0 0 0 0 0 0 -5.0886 -11.9739 8.3189 C 0 0 0 0 0 0 0 0 0 -3.9066 -11.1701 8.8599 C 0 0 0 0 0 0 0 0 0 -3.1490 -10.4926 7.7163 C 0 0 0 0 0 0 0 0 0 -2.0167 -9.5836 8.1940 C 0 0 0 0 0 0 0 0 0 -0.9060 -10.3532 8.7421 N 0 0 0 0 0 0 0 0 0 0.3177 -9.5811 8.9199 C 0 0 0 0 0 0 0 0 0 1.5274 -10.4927 9.1194 C 0 0 0 0 0 0 0 0 0 1.5353 -11.2144 10.4690 C 0 0 0 0 0 0 0 0 0 2.8040 -12.0544 10.6199 C 0 0 0 0 0 0 0 0 0 2.7828 -13.1466 9.6555 N 0 0 0 0 0 0 0 0 0 4.0827 -13.7288 9.3512 C 0 0 0 0 0 0 0 0 0 3.9230 -14.8509 8.3243 C 0 0 0 0 0 0 0 0 0 5.2503 -15.3088 7.7148 C 0 0 0 0 0 0 0 0 0 6.2938 -15.8085 8.7149 C 0 0 0 0 0 0 0 0 0 5.8388 -16.9898 9.4370 N 0 0 0 0 0 0 0 0 0 6.9075 -17.6507 10.1759 C 0 0 0 0 0 0 0 0 0 6.4132 -18.9539 10.8017 C 0 0 0 0 0 0 0 0 0 7.5736 -19.6917 11.4732 C 0 0 0 0 0 0 0 0 0 7.1361 -21.0175 12.0918 C 0 0 0 0 0 0 0 0 0 8.3074 -21.6919 12.6357 N 0 0 0 0 0 0 0 0 0 8.0118 -22.9034 13.3873 C 0 0 0 0 0 0 0 0 0 9.3019 -23.4552 13.9876 C 0 0 0 0 0 0 0 0 0 -8.0686 -13.1975 10.8073 H 0 0 0 0 0 0 0 0 0 -8.5024 -14.6017 9.8356 H 0 0 0 0 0 0 0 0 0 -6.9886 -14.5886 10.7381 H 0 0 0 0 0 0 0 0 0 -6.6100 -14.1728 8.3390 H 0 0 0 0 0 0 0 0 0 -7.6766 -12.7732 8.4082 H 0 0 0 0 0 0 0 0 0 -6.1718 -11.8335 10.0441 H 0 0 0 0 0 0 0 0 0 -4.7151 -12.7635 7.6815 H 0 0 0 0 0 0 0 0 0 -5.7268 -11.3245 7.7352 H 0 0 0 0 0 0 0 0 0 -4.2771 -10.4133 9.5363 H 0 0 0 0 0 0 0 0 0 -3.2463 -11.8317 9.4013 H 0 0 0 0 0 0 0 0 0 -2.7403 -11.2426 7.0534 H 0 0 0 0 0 0 0 0 0 -3.8468 -9.8833 7.1594 H 0 0 0 0 0 0 0 0 0 -1.6720 -9.0282 7.3323 H 0 0 0 0 0 0 0 0 0 -2.3881 -8.8797 8.9266 H 0 0 0 0 0 0 0 0 0 -1.1639 -10.8370 9.5799 H 0 0 0 0 0 0 0 0 0 0.5054 -9.0019 8.0266 H 0 0 0 0 0 0 0 0 0 0.2191 -8.9010 9.7547 H 0 0 0 0 0 0 0 0 0 1.5509 -11.2171 8.3177 H 0 0 0 0 0 0 0 0 0 2.4159 -9.8812 9.0558 H 0 0 0 0 0 0 0 0 0 1.5075 -10.4802 11.2614 H 0 0 0 0 0 0 0 0 0 0.6696 -11.8555 10.5538 H 0 0 0 0 0 0 0 0 0 3.6634 -11.4174 10.4591 H 0 0 0 0 0 0 0 0 0 2.8576 -12.4592 11.6214 H 0 0 0 0 0 0 0 0 0 2.1049 -13.8390 9.9112 H 0 0 0 0 0 0 0 0 0 4.7213 -12.9592 8.9394 H 0 0 0 0 0 0 0 0 0 4.5362 -14.1217 10.2508 H 0 0 0 0 0 0 0 0 0 3.4206 -15.6890 8.7855 H 0 0 0 0 0 0 0 0 0 3.3016 -14.4867 7.5185 H 0 0 0 0 0 0 0 0 0 5.0464 -16.1033 7.0112 H 0 0 0 0 0 0 0 0 0 5.6771 -14.4785 7.1709 H 0 0 0 0 0 0 0 0 0 7.1828 -16.0550 8.1506 H 0 0 0 0 0 0 0 0 0 6.5449 -15.0212 9.4117 H 0 0 0 0 0 0 0 0 0 5.0619 -16.7797 10.0334 H 0 0 0 0 0 0 0 0 0 7.7159 -17.8830 9.4957 H 0 0 0 0 0 0 0 0 0 7.2802 -16.9965 10.9525 H 0 0 0 0 0 0 0 0 0 5.6465 -18.7335 11.5310 H 0 0 0 0 0 0 0 0 0 5.9925 -19.5770 10.0249 H 0 0 0 0 0 0 0 0 0 8.3357 -19.8913 10.7333 H 0 0 0 0 0 0 0 0 0 7.9972 -19.0696 12.2491 H 0 0 0 0 0 0 0 0 0 6.4201 -20.8218 12.8781 H 0 0 0 0 0 0 0 0 0 6.6737 -21.6386 11.3368 H 0 0 0 0 0 0 0 0 0 8.9828 -21.8726 11.9177 H 0 0 0 0 0 0 0 0 0 7.3213 -22.6804 14.1889 H 0 0 0 0 0 0 0 0 0 7.5715 -23.6477 12.7381 H 0 0 0 0 0 0 0 0 0 9.0869 -24.3457 14.5601 H 0 0 0 0 0 0 0 0 0 9.9974 -23.6998 13.1974 H 0 0 0 0 0 0 0 0 0 9.7459 -22.7132 14.6356 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 58 1 0 0 0 0 19 20 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 21 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 23 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 24 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 M END > 640506 > K $$$$ 640580 1016 111283D 640580 36 38 0 1 V2000 -1.1244 -0.4220 0.4440 C 0 0 0 0 0 0 0 0 0 -0.0873 0.1258 0.1534 O 0 0 0 0 0 0 0 0 0 -1.1173 -1.8785 0.8092 C 0 0 0 0 0 0 0 0 0 0.0224 -2.5843 0.7738 C 0 0 0 0 0 0 0 0 0 0.1226 -4.0460 1.1443 C 0 0 0 0 0 0 0 0 0 1.3297 -4.7139 0.9515 C 0 0 0 0 0 0 0 0 0 1.4521 -6.0593 1.2733 C 0 0 0 0 0 0 0 0 0 0.3698 -6.7535 1.7943 C 0 0 0 0 0 0 0 0 0 -0.8349 -6.0956 1.9966 C 0 0 0 0 0 0 0 0 0 -0.9562 -4.7499 1.6747 C 0 0 0 0 0 0 0 0 0 -2.4089 0.3549 0.4381 C 0 0 0 0 0 0 0 0 0 -3.9358 -0.3303 0.7680 S 0 0 0 0 0 0 0 0 0 -2.5242 1.7093 0.1683 C 0 0 0 0 0 0 0 0 0 -1.3747 2.6174 -0.1525 C 0 0 0 0 0 0 0 0 0 -3.7950 2.1583 0.2193 N 0 0 0 0 0 0 0 0 0 -4.6797 1.1893 0.5312 C 0 0 0 0 0 0 0 0 0 -6.1576 1.4276 0.6552 C 0 0 0 0 0 0 0 0 0 2.7273 -3.8990 0.3031 Cl 0 0 0 0 0 0 0 0 0 0.5223 -8.4405 2.1920 Cl 0 0 0 0 0 0 0 0 0 -6.6795 2.7048 0.4901 C 0 0 0 0 0 0 0 0 0 -8.0458 2.9219 0.6055 C 0 0 0 0 0 0 0 0 0 -8.8821 1.8506 0.8864 C 0 0 0 0 0 0 0 0 0 -8.3566 0.6134 1.0442 N 0 0 0 0 0 0 0 0 0 -7.0269 0.3806 0.9360 C 0 0 0 0 0 0 0 0 0 -2.0193 -2.3312 1.0909 H 0 0 0 0 0 0 0 0 0 0.8956 -2.0860 0.4676 H 0 0 0 0 0 0 0 0 0 2.3662 -6.5532 1.1219 H 0 0 0 0 0 0 0 0 0 -1.6550 -6.6180 2.3938 H 0 0 0 0 0 0 0 0 0 -1.8776 -4.2774 1.8412 H 0 0 0 0 0 0 0 0 0 -1.0082 2.3960 -1.1441 H 0 0 0 0 0 0 0 0 0 -1.7068 3.6446 -0.1167 H 0 0 0 0 0 0 0 0 0 -0.5796 2.4772 0.5648 H 0 0 0 0 0 0 0 0 0 -6.0400 3.5110 0.2774 H 0 0 0 0 0 0 0 0 0 -8.4427 3.8864 0.4817 H 0 0 0 0 0 0 0 0 0 -9.9186 1.9971 0.9765 H 0 0 0 0 0 0 0 0 0 -6.6612 -0.5954 1.0656 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 19 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 24 1 0 0 0 0 17 20 2 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 24 36 1 0 0 0 0 M END > 640580 > K $$$$ 640584 1016 111283D 640584 54 58 0 1 V2000 0.2474 5.5750 4.5180 C 0 0 0 0 0 0 0 0 0 0.4271 6.5133 5.2755 O 0 0 0 0 0 0 0 0 0 1.3926 4.8243 3.9975 C 0 0 0 0 0 0 0 0 0 2.6465 5.1784 4.3473 C 0 0 0 0 0 0 0 0 0 3.7919 4.3749 3.8918 C 0 0 0 0 0 0 0 0 0 5.0701 4.9401 3.8397 C 0 0 0 0 0 0 0 0 0 6.1392 4.1806 3.4114 C 0 0 0 0 0 0 0 0 0 5.9480 2.8606 3.0330 C 0 0 0 0 0 0 0 0 0 4.6842 2.2951 3.0825 C 0 0 0 0 0 0 0 0 0 3.6082 3.0403 3.5142 C 0 0 0 0 0 0 0 0 0 -1.1140 5.1944 4.1332 C 0 0 0 0 0 0 0 0 0 -1.6721 4.1386 2.8036 S 0 0 0 0 0 0 0 0 0 -2.3304 5.5491 4.7044 C 0 0 0 0 0 0 0 0 0 -2.3919 6.4576 5.9052 C 0 0 0 0 0 0 0 0 0 -3.4188 5.0683 4.1643 N 0 0 0 0 0 0 0 0 0 -3.3762 4.2680 3.1109 C 0 0 0 0 0 0 0 0 0 -4.4285 3.6777 2.4267 N 0 0 0 0 0 0 0 0 0 -4.3615 3.0958 1.1545 N 0 0 0 0 0 0 0 0 0 -5.5573 2.6426 0.8403 C 0 0 0 0 0 0 0 0 0 -6.4314 2.9214 1.9062 C 0 0 0 0 0 0 0 0 0 -5.7151 3.5554 2.8776 C 0 0 0 0 0 0 0 0 0 -4.9566 1.7441 -1.4068 C 0 0 0 0 0 0 0 0 0 -5.9208 1.9553 -0.4237 C 0 0 0 0 0 0 0 0 0 -7.2276 1.5182 -0.6312 C 0 0 0 0 0 0 0 0 0 -7.5601 0.8792 -1.8082 C 0 0 0 0 0 0 0 0 0 -6.5986 0.6721 -2.7813 C 0 0 0 0 0 0 0 0 0 -5.3001 1.1037 -2.5805 C 0 0 0 0 0 0 0 0 0 -6.2341 4.0276 4.1799 C 0 0 0 0 0 0 0 0 0 -7.4021 4.7888 4.2340 C 0 0 0 0 0 0 0 0 0 -7.8813 5.2259 5.4520 C 0 0 0 0 0 0 0 0 0 -7.2061 4.9112 6.6176 C 0 0 0 0 0 0 0 0 0 -6.0470 4.1570 6.5706 C 0 0 0 0 0 0 0 0 0 -5.5609 3.7087 5.3599 C 0 0 0 0 0 0 0 0 0 7.7271 4.8793 3.3456 Cl 0 0 0 0 0 0 0 0 0 7.2986 1.9120 2.4943 Cl 0 0 0 0 0 0 0 0 0 1.2331 3.9875 3.3336 H 0 0 0 0 0 0 0 0 0 2.8096 6.0514 4.9617 H 0 0 0 0 0 0 0 0 0 5.2196 5.9685 4.1336 H 0 0 0 0 0 0 0 0 0 4.5426 1.2662 2.7859 H 0 0 0 0 0 0 0 0 0 2.6246 2.5964 3.5563 H 0 0 0 0 0 0 0 0 0 -2.4601 7.4938 5.5738 H 0 0 0 0 0 0 0 0 0 -3.2682 6.2093 6.5040 H 0 0 0 0 0 0 0 0 0 -1.4922 6.3267 6.5062 H 0 0 0 0 0 0 0 0 0 -7.4818 2.6741 1.9489 H 0 0 0 0 0 0 0 0 0 -3.9433 2.0847 -1.2530 H 0 0 0 0 0 0 0 0 0 -7.9789 1.6790 0.1279 H 0 0 0 0 0 0 0 0 0 -8.5724 0.5398 -1.9700 H 0 0 0 0 0 0 0 0 0 -6.8630 0.1712 -3.7008 H 0 0 0 0 0 0 0 0 0 -4.5535 0.9395 -3.3434 H 0 0 0 0 0 0 0 0 0 -7.9297 5.0358 3.3247 H 0 0 0 0 0 0 0 0 0 -8.7854 5.8152 5.4953 H 0 0 0 0 0 0 0 0 0 -7.5851 5.2559 7.5683 H 0 0 0 0 0 0 0 0 0 -5.5240 3.9152 7.4840 H 0 0 0 0 0 0 0 0 0 -4.6587 3.1160 5.3249 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 34 1 0 0 0 0 7 8 2 0 0 0 0 8 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 19 23 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M END > 640584 > K $$$$ 640624 1016 111283D 640624 35 37 0 1 V2000 -0.2578 1.1867 -0.0048 C 0 0 0 0 0 0 0 0 0 -0.0416 -0.3069 0.0331 C 0 0 0 0 0 0 0 0 0 1.1287 1.8379 -0.0060 C 0 0 0 0 0 0 0 0 0 -1.0479 1.6188 -1.2390 C 0 0 0 0 0 0 0 0 0 -0.2123 -0.9702 1.1869 C 0 0 0 0 0 0 0 0 0 -0.5932 -0.2779 2.2989 N 0 0 0 0 0 0 0 0 0 -0.9751 1.0227 2.2241 C 0 0 0 0 0 0 0 0 0 -1.4963 1.6087 3.8017 S 0 0 0 0 0 0 0 0 0 -1.0105 -0.0021 4.3811 C 0 0 0 0 0 0 0 0 0 -0.6272 -0.7695 3.4643 N 0 0 0 0 0 0 0 0 0 -1.0508 -0.4108 5.8288 C 0 0 0 0 0 0 0 0 0 -1.4848 0.4879 6.7966 C 0 0 0 0 0 0 0 0 0 -1.5075 0.1209 8.1362 C 0 0 0 0 0 0 0 0 0 -1.0951 -1.1482 8.5230 C 0 0 0 0 0 0 0 0 0 -1.1012 -1.4989 9.8365 N 0 0 0 0 0 0 0 0 0 -0.6770 -2.0532 7.5553 C 0 0 0 0 0 0 0 0 0 -0.6544 -1.6868 6.2152 C 0 0 0 0 0 0 0 0 0 0.0144 -2.4542 1.2391 C 0 0 0 0 0 0 0 0 0 -0.9478 1.6808 1.1590 N 0 0 0 0 0 0 0 0 0 0.2459 -0.8192 -0.8376 H 0 0 0 0 0 0 0 0 0 1.0331 2.9139 0.0014 H 0 0 0 0 0 0 0 0 0 1.6743 1.5353 0.8768 H 0 0 0 0 0 0 0 0 0 1.6889 1.5400 -0.8810 H 0 0 0 0 0 0 0 0 0 -1.1580 2.6940 -1.2386 H 0 0 0 0 0 0 0 0 0 -0.5368 1.3177 -2.1420 H 0 0 0 0 0 0 0 0 0 -2.0290 1.1681 -1.2159 H 0 0 0 0 0 0 0 0 0 -1.7979 1.4509 6.5189 H 0 0 0 0 0 0 0 0 0 -1.8375 0.8060 8.8603 H 0 0 0 0 0 0 0 0 0 -0.8127 -2.3838 10.1120 H 0 0 0 0 0 0 0 0 0 -1.3935 -0.8672 10.5131 H 0 0 0 0 0 0 0 0 0 -0.3764 -3.0187 7.8378 H 0 0 0 0 0 0 0 0 0 -0.3348 -2.3819 5.4949 H 0 0 0 0 0 0 0 0 0 -0.1895 -2.8308 2.2302 H 0 0 0 0 0 0 0 0 0 -0.6472 -2.9445 0.5397 H 0 0 0 0 0 0 0 0 0 1.0390 -2.6757 0.9803 H 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 M END > 640624 > K $$$$ 640637 1016 111283D 640637 62 66 0 1 V2000 6.8872 -1.1432 2.1802 N 0 0 0 0 0 0 0 0 0 6.9507 -1.1298 3.5077 C 0 0 0 0 0 0 0 0 0 6.0581 -1.9374 4.2410 C 0 0 0 0 0 0 0 0 0 5.1830 -2.6850 3.5726 N 0 0 0 0 0 0 0 0 0 5.1744 -2.6502 2.2470 C 0 0 0 0 0 0 0 0 0 6.0240 -1.8824 1.5764 N 0 0 0 0 0 0 0 0 0 7.9439 -0.2801 4.2054 C 0 0 0 0 0 0 0 0 0 8.7308 -0.8159 5.2241 C 0 0 0 0 0 0 0 0 0 9.6545 -0.0196 5.8699 C 0 0 0 0 0 0 0 0 0 9.8006 1.3074 5.5085 C 0 0 0 0 0 0 0 0 0 9.0223 1.8450 4.4988 C 0 0 0 0 0 0 0 0 0 8.0995 1.0573 3.8418 C 0 0 0 0 0 0 0 0 0 6.0934 -1.9542 5.7220 C 0 0 0 0 0 0 0 0 0 6.0942 -3.1682 6.4087 C 0 0 0 0 0 0 0 0 0 6.1272 -3.1773 7.7879 C 0 0 0 0 0 0 0 0 0 6.1594 -1.9855 8.4899 C 0 0 0 0 0 0 0 0 0 6.1318 -0.7565 6.4348 C 0 0 0 0 0 0 0 0 0 6.1583 -0.7784 7.8145 C 0 0 0 0 0 0 0 0 0 4.2611 -3.4304 1.5490 N 0 0 0 0 0 0 0 0 0 4.3224 -3.4989 0.1510 N 0 0 0 0 0 0 0 0 0 3.5403 -4.0911 -6.1650 C 0 0 0 0 0 0 0 0 0 3.4876 -4.0207 -4.7887 C 0 0 0 0 0 0 0 0 0 2.2890 -4.2962 -4.1236 C 0 0 0 0 0 0 0 0 0 1.1519 -4.6414 -4.8610 C 0 0 0 0 0 0 0 0 0 1.2204 -4.7075 -6.2364 C 0 0 0 0 0 0 0 0 0 2.4108 -4.4335 -6.8876 C 0 0 0 0 0 0 0 0 0 3.3160 -4.1213 2.2168 C 0 0 0 0 0 0 0 0 0 2.1840 -3.2935 3.1988 S 0 0 0 0 0 0 0 0 0 3.7485 -6.9104 0.2397 C 0 0 0 0 0 0 0 0 0 4.6641 -7.5765 -0.5507 C 0 0 0 0 0 0 0 0 0 6.0164 -7.4771 -0.2785 C 0 0 0 0 0 0 0 0 0 6.4562 -6.7110 0.7853 C 0 0 0 0 0 0 0 0 0 5.5453 -6.0423 1.5799 C 0 0 0 0 0 0 0 0 0 4.1868 -6.1400 1.3093 C 0 0 0 0 0 0 0 0 0 3.2620 -5.4639 2.1114 N 0 0 0 0 0 0 0 0 0 3.2612 -3.8207 -0.5325 C 0 0 0 0 0 0 0 0 0 3.3233 -3.8905 -1.9471 C 0 0 0 0 0 0 0 0 0 2.2244 -4.2237 -2.6549 C 0 0 0 0 0 0 0 0 0 8.6174 -1.8519 5.5074 H 0 0 0 0 0 0 0 0 0 10.2644 -0.4335 6.6594 H 0 0 0 0 0 0 0 0 0 10.5249 1.9268 6.0168 H 0 0 0 0 0 0 0 0 0 9.1406 2.8820 4.2211 H 0 0 0 0 0 0 0 0 0 7.4956 1.4768 3.0507 H 0 0 0 0 0 0 0 0 0 6.0687 -4.0991 5.8618 H 0 0 0 0 0 0 0 0 0 6.1274 -4.1167 8.3208 H 0 0 0 0 0 0 0 0 0 6.1851 -1.9976 9.5695 H 0 0 0 0 0 0 0 0 0 6.1359 0.1866 5.9084 H 0 0 0 0 0 0 0 0 0 6.1832 0.1488 8.3678 H 0 0 0 0 0 0 0 0 0 4.4642 -3.8744 -6.6804 H 0 0 0 0 0 0 0 0 0 4.3700 -3.7538 -4.2261 H 0 0 0 0 0 0 0 0 0 0.2225 -4.8558 -4.3544 H 0 0 0 0 0 0 0 0 0 0.3432 -4.9740 -6.8073 H 0 0 0 0 0 0 0 0 0 2.4583 -4.4866 -7.9651 H 0 0 0 0 0 0 0 0 0 2.6928 -6.9849 0.0239 H 0 0 0 0 0 0 0 0 0 4.3239 -8.1759 -1.3822 H 0 0 0 0 0 0 0 0 0 6.7306 -7.9992 -0.8979 H 0 0 0 0 0 0 0 0 0 7.5128 -6.6354 0.9953 H 0 0 0 0 0 0 0 0 0 5.8895 -5.4447 2.4111 H 0 0 0 0 0 0 0 0 0 2.5819 -5.9611 2.5919 H 0 0 0 0 0 0 0 0 0 2.3339 -4.0341 -0.0215 H 0 0 0 0 0 0 0 0 0 4.2505 -3.6769 -2.4581 H 0 0 0 0 0 0 0 0 0 1.2972 -4.4373 -2.1439 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 5 19 1 0 0 0 0 5 6 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 18 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 36 2 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 38 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 35 1 0 0 0 0 29 34 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 34 2 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 37 38 2 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 M END > 640637 > K $$$$ 640638 1016 111283D 640638 50 53 1 1 V2000 8.8420 16.5349 -7.4130 N 0 0 0 0 0 0 0 0 0 9.1625 17.5480 -6.6151 C 0 0 0 0 0 0 0 0 0 10.5241 17.8375 -6.3938 C 0 0 0 0 0 0 0 0 0 11.4398 17.0818 -6.9951 N 0 0 0 0 0 0 0 0 0 11.0499 16.0853 -7.7795 C 0 0 0 0 0 0 0 0 0 9.7613 15.8305 -7.9739 N 0 0 0 0 0 0 0 0 0 8.1057 18.3608 -5.9687 C 0 0 0 0 0 0 0 0 0 7.0229 18.8229 -6.7158 C 0 0 0 0 0 0 0 0 0 6.0416 19.5796 -6.1081 C 0 0 0 0 0 0 0 0 0 6.1306 19.8795 -4.7609 C 0 0 0 0 0 0 0 0 0 7.2026 19.4236 -4.0142 C 0 0 0 0 0 0 0 0 0 8.1869 18.6615 -4.6093 C 0 0 0 0 0 0 0 0 0 10.9269 18.9581 -5.5122 C 0 0 0 0 0 0 0 0 0 10.3371 20.2131 -5.6613 C 0 0 0 0 0 0 0 0 0 10.7163 21.2528 -4.8374 C 0 0 0 0 0 0 0 0 0 11.6796 21.0521 -3.8646 C 0 0 0 0 0 0 0 0 0 11.8929 18.7606 -4.5264 C 0 0 0 0 0 0 0 0 0 12.2682 19.8097 -3.7119 C 0 0 0 0 0 0 0 0 0 12.0019 15.2986 -8.4054 N 0 0 0 0 0 0 0 0 0 13.3643 15.5340 -8.1787 N 0 0 0 0 0 0 0 0 0 14.2361 15.0958 -9.0074 C 0 0 0 0 0 0 0 0 0 15.7037 15.3120 -8.7418 C 0 0 1 0 0 0 0 0 0 16.7506 13.9522 -9.7010 Br 0 0 0 0 0 0 0 0 0 16.1102 16.7048 -9.2273 C 0 0 1 0 0 0 0 0 0 15.6239 16.9062 -11.1215 Br 0 0 0 0 0 0 0 0 0 15.3946 17.7500 -8.4110 C 0 0 0 0 0 0 0 0 0 14.1606 18.2209 -8.8195 C 0 0 0 0 0 0 0 0 0 13.5043 19.1796 -8.0708 C 0 0 0 0 0 0 0 0 0 14.0817 19.6673 -6.9131 C 0 0 0 0 0 0 0 0 0 15.3149 19.1960 -6.5042 C 0 0 0 0 0 0 0 0 0 15.9694 18.2338 -7.2508 C 0 0 0 0 0 0 0 0 0 6.9526 18.5897 -7.7680 H 0 0 0 0 0 0 0 0 0 5.2027 19.9384 -6.6859 H 0 0 0 0 0 0 0 0 0 5.3603 20.4721 -4.2898 H 0 0 0 0 0 0 0 0 0 7.2667 19.6609 -2.9626 H 0 0 0 0 0 0 0 0 0 9.0207 18.3022 -4.0245 H 0 0 0 0 0 0 0 0 0 9.5853 20.3709 -6.4205 H 0 0 0 0 0 0 0 0 0 10.2606 22.2251 -4.9521 H 0 0 0 0 0 0 0 0 0 11.9736 21.8691 -3.2222 H 0 0 0 0 0 0 0 0 0 12.3498 17.7898 -4.4033 H 0 0 0 0 0 0 0 0 0 13.0195 19.6591 -2.9509 H 0 0 0 0 0 0 0 0 0 11.7257 14.5844 -9.0009 H 0 0 0 0 0 0 0 0 0 13.9200 14.5712 -9.8969 H 0 0 0 0 0 0 0 0 0 15.8952 15.2299 -7.6718 H 0 0 0 0 0 0 0 0 0 17.1871 16.8294 -9.1134 H 0 0 0 0 0 0 0 0 0 13.7096 17.8399 -9.7238 H 0 0 0 0 0 0 0 0 0 12.5406 19.5480 -8.3903 H 0 0 0 0 0 0 0 0 0 13.5692 20.4170 -6.3285 H 0 0 0 0 0 0 0 0 0 15.7661 19.5772 -5.6000 H 0 0 0 0 0 0 0 0 0 16.9313 17.8627 -6.9293 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 5 19 1 0 0 0 0 5 6 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 22 44 1 6 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 24 45 1 1 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 M END > 640638 > K $$$$ 640974 1016 111283D 640974 48 51 1 1 V2000 2.8609 3.3731 1.1219 C 0 0 0 0 0 0 0 0 0 4.0799 2.8621 0.7121 C 0 0 0 0 0 0 0 0 0 4.5438 1.6635 1.2296 C 0 0 0 0 0 0 0 0 0 3.7913 0.9799 2.1532 C 0 0 0 0 0 0 0 0 0 2.5546 1.4850 2.5703 C 0 0 0 0 0 0 0 0 0 2.0952 2.6929 2.0470 C 0 0 0 0 0 0 0 0 0 3.9887 -0.3097 2.9149 C 0 0 1 0 0 0 0 0 0 2.9799 -0.2837 3.9716 O 0 0 0 0 0 0 0 0 0 1.9870 0.5268 3.5410 C 0 0 0 0 0 0 0 0 0 0.8254 0.4756 3.8927 O 0 0 0 0 0 0 0 0 0 3.7633 -1.5107 1.9941 C 0 0 1 0 0 0 0 0 0 4.7497 -1.4632 0.8560 C 0 0 0 0 0 0 0 0 0 5.9081 -1.7687 1.0442 O 0 0 0 0 0 0 0 0 0 4.3078 -1.0466 -0.4826 C 0 0 0 0 0 0 0 0 0 5.1101 -1.3054 -1.6019 C 0 0 0 0 0 0 0 0 0 4.6853 -0.9094 -2.8568 C 0 0 0 0 0 0 0 0 0 3.4744 -0.2601 -3.0068 C 0 0 0 0 0 0 0 0 0 2.6766 -0.0012 -1.9044 C 0 0 0 0 0 0 0 0 0 3.0808 -0.3941 -0.6474 C 0 0 0 0 0 0 0 0 0 6.2942 -1.9392 -1.4555 F 0 0 0 0 0 0 0 0 0 3.9575 -2.7853 2.7744 C 0 0 0 0 0 0 0 0 0 4.6947 -2.8014 3.7311 O 0 0 0 0 0 0 0 0 0 3.2402 -4.0253 2.3660 C 0 0 0 0 0 0 0 0 0 2.5359 -4.0214 1.3772 O 0 0 0 0 0 0 0 0 0 3.3732 -5.1517 3.0941 N 0 0 0 0 0 0 0 0 0 2.8136 -6.3429 2.6416 C 0 0 0 0 0 0 0 0 0 2.9880 -6.7389 1.3225 C 0 0 0 0 0 0 0 0 0 2.4317 -7.9212 0.8758 C 0 0 0 0 0 0 0 0 0 1.6970 -8.7197 1.7366 C 0 0 0 0 0 0 0 0 0 1.5132 -8.3427 3.0501 C 0 0 0 0 0 0 0 0 0 2.0747 -7.1531 3.5184 C 0 0 0 0 0 0 0 0 0 1.8929 -6.7588 4.8830 C 0 0 0 0 0 0 0 0 0 1.7488 -6.4460 5.9655 N 0 0 0 0 0 0 0 0 0 2.5088 4.3112 0.7190 H 0 0 0 0 0 0 0 0 0 4.6718 3.3995 -0.0141 H 0 0 0 0 0 0 0 0 0 5.4954 1.2673 0.9071 H 0 0 0 0 0 0 0 0 0 1.1445 3.0949 2.3648 H 0 0 0 0 0 0 0 0 0 4.9888 -0.3451 3.3469 H 0 0 0 0 0 0 0 0 0 2.7486 -1.4787 1.5972 H 0 0 0 0 0 0 0 0 0 5.3013 -1.1074 -3.7214 H 0 0 0 0 0 0 0 0 0 3.1484 0.0474 -3.9894 H 0 0 0 0 0 0 0 0 0 1.7321 0.5070 -2.0314 H 0 0 0 0 0 0 0 0 0 2.4543 -0.1950 0.2095 H 0 0 0 0 0 0 0 0 0 3.8590 -5.1320 3.9334 H 0 0 0 0 0 0 0 0 0 3.5590 -6.1215 0.6449 H 0 0 0 0 0 0 0 0 0 2.5702 -8.2251 -0.1513 H 0 0 0 0 0 0 0 0 0 1.2656 -9.6423 1.3770 H 0 0 0 0 0 0 0 0 0 0.9394 -8.9690 3.7171 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 7 38 1 6 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 21 1 1 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 31 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 32 33 3 0 0 0 0 M END > 640974 > K $$$$ 640985 1016 111283D 640985 59 63 1 1 V2000 -2.4417 2.3368 -5.2550 C 0 0 0 0 0 0 0 0 0 -3.7397 1.8406 -5.1564 C 0 0 0 0 0 0 0 0 0 -4.8320 2.6758 -5.3737 C 0 0 0 0 0 0 0 0 0 -4.6366 4.0189 -5.6882 C 0 0 0 0 0 0 0 0 0 -3.3372 4.5071 -5.7798 C 0 0 0 0 0 0 0 0 0 -2.2546 3.6786 -5.5778 C 0 0 0 0 0 0 0 0 0 -1.0166 4.5189 -5.7741 C 0 0 1 0 0 0 0 0 0 -1.4901 5.7329 -6.4040 O 0 0 0 0 0 0 0 0 0 -2.8050 5.8613 -6.0825 C 0 0 0 0 0 0 0 0 0 -3.4272 6.8978 -6.0400 O 0 0 0 0 0 0 0 0 0 -0.3703 4.8453 -4.4206 C 0 0 1 0 0 0 0 0 0 -0.0216 3.5679 -3.7078 C 0 0 0 0 0 0 0 0 0 0.9262 2.9086 -4.0614 O 0 0 0 0 0 0 0 0 0 -0.8502 3.1095 -2.5623 C 0 0 0 0 0 0 0 0 0 -2.1282 3.6391 -2.3888 C 0 0 0 0 0 0 0 0 0 -2.8995 3.2025 -1.3066 C 0 0 0 0 0 0 0 0 0 -2.3760 2.2434 -0.4150 C 0 0 0 0 0 0 0 0 0 -1.0905 1.7248 -0.6067 C 0 0 0 0 0 0 0 0 0 -0.3330 2.1593 -1.6845 C 0 0 0 0 0 0 0 0 0 -3.1458 1.8065 0.6679 C 0 0 0 0 0 0 0 0 0 -4.4201 2.3247 0.8510 C 0 0 0 0 0 0 0 0 0 -4.9359 3.2698 -0.0281 C 0 0 0 0 0 0 0 0 0 -4.1866 3.7151 -1.1079 C 0 0 0 0 0 0 0 0 0 0.8792 5.6462 -4.6441 C 0 0 0 0 0 0 0 0 0 1.4972 5.5345 -5.6777 O 0 0 0 0 0 0 0 0 0 1.3626 6.5852 -3.5871 C 0 0 0 0 0 0 0 0 0 0.7601 6.6814 -2.5430 O 0 0 0 0 0 0 0 0 0 2.4756 7.3314 -3.7922 N 0 0 0 0 0 0 0 0 0 2.8486 8.2873 -2.8740 C 0 0 0 0 0 0 0 0 0 1.9077 9.1923 -2.3845 C 0 0 0 0 0 0 0 0 0 2.2888 10.1566 -1.4602 C 0 0 0 0 0 0 0 0 0 3.6050 10.2214 -1.0202 C 0 0 0 0 0 0 0 0 0 4.5461 9.3213 -1.5050 C 0 0 0 0 0 0 0 0 0 4.1669 8.3542 -2.4284 C 0 0 0 0 0 0 0 0 0 5.1868 7.3756 -2.9444 C 0 0 0 0 0 0 0 0 0 1.2741 11.1324 -0.9332 C 0 0 0 0 0 0 0 0 0 -1.6097 1.6969 -5.0852 H 0 0 0 0 0 0 0 0 0 -3.8976 0.8143 -4.9131 H 0 0 0 0 0 0 0 0 0 -5.8216 2.2864 -5.2985 H 0 0 0 0 0 0 0 0 0 -5.4771 4.6514 -5.8551 H 0 0 0 0 0 0 0 0 0 -0.3029 4.0058 -6.4141 H 0 0 0 0 0 0 0 0 0 -1.0661 5.4238 -3.8185 H 0 0 0 0 0 0 0 0 0 -2.5112 4.3664 -3.0764 H 0 0 0 0 0 0 0 0 0 -0.6777 0.9994 0.0592 H 0 0 0 0 0 0 0 0 0 0.6438 1.7554 -1.8246 H 0 0 0 0 0 0 0 0 0 -2.7745 1.0814 1.3584 H 0 0 0 0 0 0 0 0 0 -5.0050 1.9917 1.6748 H 0 0 0 0 0 0 0 0 0 -5.9144 3.6584 0.1243 H 0 0 0 0 0 0 0 0 0 -4.6065 4.4421 -1.7681 H 0 0 0 0 0 0 0 0 0 3.0072 7.1795 -4.5949 H 0 0 0 0 0 0 0 0 0 0.8956 9.1476 -2.7205 H 0 0 0 0 0 0 0 0 0 3.8940 10.9621 -0.3105 H 0 0 0 0 0 0 0 0 0 5.5559 9.3728 -1.1681 H 0 0 0 0 0 0 0 0 0 5.6595 7.7842 -3.8348 H 0 0 0 0 0 0 0 0 0 5.9407 7.1979 -2.1819 H 0 0 0 0 0 0 0 0 0 4.6948 6.4380 -3.1931 H 0 0 0 0 0 0 0 0 0 0.8059 10.7214 -0.0414 H 0 0 0 0 0 0 0 0 0 1.7674 12.0691 -0.6849 H 0 0 0 0 0 0 0 0 0 0.5154 11.3118 -1.6912 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 6 0 0 0 7 41 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 11 24 1 6 0 0 0 11 12 1 1 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 34 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 36 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 M END > 640985 > K $$$$ 641228 1016 111283D 641228 50 53 1 1 V2000 -0.3534 1.5968 0.7425 C 0 0 0 0 0 0 0 0 0 -0.4715 1.7306 -0.6404 C 0 0 0 0 0 0 0 0 0 0.6738 1.8577 -1.4146 C 0 0 0 0 0 0 0 0 0 1.9261 1.8510 -0.8117 C 0 0 0 0 0 0 0 0 0 2.0430 1.7171 0.5665 C 0 0 0 0 0 0 0 0 0 0.9009 1.5888 1.3494 C 0 0 0 0 0 0 0 0 0 -1.5751 1.4661 1.5731 C 0 0 0 0 0 0 0 0 0 -1.5412 1.7695 2.7428 O 0 0 0 0 0 0 0 0 0 -2.8491 0.9581 0.9560 C 0 0 1 0 0 0 0 0 0 -3.6258 0.1372 1.9942 C 0 0 1 0 0 0 0 0 0 -4.9340 -0.3414 1.4132 C 0 0 0 0 0 0 0 0 0 -4.7758 -1.6842 1.1326 C 0 0 0 0 0 0 0 0 0 -3.3919 -2.0585 1.5204 C 0 0 0 0 0 0 0 0 0 -2.8988 -1.0750 2.3178 O 0 0 0 0 0 0 0 0 0 -2.8011 -3.0572 1.1784 O 0 0 0 0 0 0 0 0 0 -3.6917 2.1223 0.5073 C 0 0 0 0 0 0 0 0 0 -3.7994 3.0999 1.2112 O 0 0 0 0 0 0 0 0 0 -4.3944 2.0701 -0.8078 C 0 0 0 0 0 0 0 0 0 -5.1912 3.0942 -1.1953 N 0 0 0 0 0 0 0 0 0 -4.2526 1.1115 -1.5315 O 0 0 0 0 0 0 0 0 0 -5.7375 3.1070 -2.4631 C 0 0 0 0 0 0 0 0 0 -4.9326 2.8571 -3.5736 C 0 0 0 0 0 0 0 0 0 -5.4830 2.8723 -4.8488 C 0 0 0 0 0 0 0 0 0 -6.8365 3.1367 -5.0176 C 0 0 0 0 0 0 0 0 0 -7.6425 3.3856 -3.9141 C 0 0 0 0 0 0 0 0 0 -7.0939 3.3681 -2.6389 C 0 0 0 0 0 0 0 0 0 -6.1384 0.2985 1.1453 C 0 0 0 0 0 0 0 0 0 -7.1876 -0.4349 0.5986 C 0 0 0 0 0 0 0 0 0 -7.0319 -1.7888 0.3230 C 0 0 0 0 0 0 0 0 0 -5.8218 -2.4234 0.5884 C 0 0 0 0 0 0 0 0 0 -7.9714 3.6305 -1.4447 C 0 0 0 0 0 0 0 0 0 1.0200 1.4615 2.6843 F 0 0 0 0 0 0 0 0 0 -1.4329 1.7352 -1.1122 H 0 0 0 0 0 0 0 0 0 0.5923 1.9608 -2.4749 H 0 0 0 0 0 0 0 0 0 2.8051 1.9491 -1.4115 H 0 0 0 0 0 0 0 0 0 3.0100 1.7126 1.0216 H 0 0 0 0 0 0 0 0 0 -2.6136 0.3292 0.1011 H 0 0 0 0 0 0 0 0 0 -3.7981 0.7334 2.8879 H 0 0 0 0 0 0 0 0 0 -5.3768 3.8168 -0.5695 H 0 0 0 0 0 0 0 0 0 -3.8902 2.6548 -3.4459 H 0 0 0 0 0 0 0 0 0 -4.8661 2.6807 -5.6996 H 0 0 0 0 0 0 0 0 0 -7.2586 3.1481 -5.9990 H 0 0 0 0 0 0 0 0 0 -8.6829 3.5891 -4.0472 H 0 0 0 0 0 0 0 0 0 -6.2608 1.3360 1.3559 H 0 0 0 0 0 0 0 0 0 -8.1192 0.0459 0.3896 H 0 0 0 0 0 0 0 0 0 -7.8437 -2.3439 -0.0945 H 0 0 0 0 0 0 0 0 0 -5.7094 -3.4634 0.3744 H 0 0 0 0 0 0 0 0 0 -7.9808 4.6978 -1.2317 H 0 0 0 0 0 0 0 0 0 -8.9840 3.2931 -1.6547 H 0 0 0 0 0 0 0 0 0 -7.5810 3.0922 -0.5834 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 16 1 6 0 0 0 9 10 1 1 0 0 0 9 37 1 0 0 0 0 10 14 1 1 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 20 2 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 21 26 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 M END > 641228 > K $$$$ 641233 1016 111283D 641233 59 64 1 1 V2000 0.1426 -1.6811 -2.6340 C 0 0 0 0 0 0 0 0 0 -0.1049 -0.6186 -1.7758 C 0 0 0 0 0 0 0 0 0 0.3668 0.6729 -2.0841 C 0 0 0 0 0 0 0 0 0 1.0698 0.9029 -3.2210 C 0 0 0 0 0 0 0 0 0 1.3366 -0.1544 -4.1112 C 0 0 0 0 0 0 0 0 0 0.8679 -1.4594 -3.8135 C 0 0 0 0 0 0 0 0 0 1.1392 -2.5108 -4.7081 C 0 0 0 0 0 0 0 0 0 1.8464 -2.2629 -5.8442 C 0 0 0 0 0 0 0 0 0 2.3071 -0.9805 -6.1360 C 0 0 0 0 0 0 0 0 0 2.0626 0.0614 -5.2941 C 0 0 0 0 0 0 0 0 0 -0.8647 -0.8421 -0.5367 C 0 0 0 0 0 0 0 0 0 -1.2349 0.1032 0.1265 O 0 0 0 0 0 0 0 0 0 -1.1833 -2.2461 -0.0910 C 0 0 1 0 0 0 0 0 0 -1.4681 -2.2518 1.4122 C 0 0 1 0 0 0 0 0 0 -1.8200 -3.6461 1.8747 C 0 0 0 0 0 0 0 0 0 -0.6890 -4.1221 2.5485 C 0 0 0 0 0 0 0 0 0 0.3381 -3.0614 2.4992 C 0 0 0 0 0 0 0 0 0 -0.2626 -1.8989 2.1588 O 0 0 0 0 0 0 0 0 0 -2.9390 -4.4331 1.7562 C 0 0 0 0 0 0 0 0 0 -2.9512 -5.7039 2.3093 C 0 0 0 0 0 0 0 0 0 -1.8400 -6.1825 2.9803 C 0 0 0 0 0 0 0 0 0 -0.7092 -5.4004 3.1039 C 0 0 0 0 0 0 0 0 0 1.5224 -3.2087 2.7257 O 0 0 0 0 0 0 0 0 0 -2.3955 -2.7460 -0.8338 C 0 0 0 0 0 0 0 0 0 -3.3368 -2.0118 -1.0170 O 0 0 0 0 0 0 0 0 0 -3.4703 -5.8280 -2.6424 C 0 0 0 0 0 0 0 0 0 -3.6217 -5.9403 -3.9838 C 0 0 0 0 0 0 0 0 0 -3.5908 -7.2595 -4.6285 C 0 0 0 0 0 0 0 0 0 -3.1131 -8.4335 -3.8626 C 0 0 0 0 0 0 0 0 0 -2.9556 -8.3241 -2.4684 C 0 0 0 0 0 0 0 0 0 -3.2710 -7.0378 -1.8089 C 0 0 0 0 0 0 0 0 0 -3.3649 -6.9737 -0.5997 O 0 0 0 0 0 0 0 0 0 -3.9541 -7.3867 -5.7820 O 0 0 0 0 0 0 0 0 0 -2.5088 -9.4157 -1.7355 C 0 0 0 0 0 0 0 0 0 -2.2201 -10.6071 -2.3843 C 0 0 0 0 0 0 0 0 0 -2.3737 -10.7141 -3.7527 C 0 0 0 0 0 0 0 0 0 -2.8201 -9.6321 -4.4974 C 0 0 0 0 0 0 0 0 0 -2.4328 -4.1458 -1.3420 C 0 0 0 0 0 0 0 0 0 -1.5055 -4.8970 -1.1202 O 0 0 0 0 0 0 0 0 0 -3.4961 -4.5783 -2.0483 N 0 0 0 0 0 0 0 0 0 -3.8545 -4.5151 -4.9474 Cl 0 0 0 0 0 0 0 0 0 -0.2165 -2.6708 -2.3933 H 0 0 0 0 0 0 0 0 0 0.1659 1.4898 -1.4069 H 0 0 0 0 0 0 0 0 0 1.4247 1.8983 -3.4437 H 0 0 0 0 0 0 0 0 0 0.7885 -3.5097 -4.4942 H 0 0 0 0 0 0 0 0 0 2.0538 -3.0717 -6.5292 H 0 0 0 0 0 0 0 0 0 2.8660 -0.8101 -7.0444 H 0 0 0 0 0 0 0 0 0 2.4260 1.0496 -5.5346 H 0 0 0 0 0 0 0 0 0 -0.3341 -2.8959 -0.3024 H 0 0 0 0 0 0 0 0 0 -2.2768 -1.5595 1.6465 H 0 0 0 0 0 0 0 0 0 -3.8081 -4.0625 1.2332 H 0 0 0 0 0 0 0 0 0 -3.8314 -6.3226 2.2164 H 0 0 0 0 0 0 0 0 0 -1.8576 -7.1731 3.4103 H 0 0 0 0 0 0 0 0 0 0.1563 -5.7774 3.6285 H 0 0 0 0 0 0 0 0 0 -2.3863 -9.3373 -0.6654 H 0 0 0 0 0 0 0 0 0 -1.8724 -11.4569 -1.8155 H 0 0 0 0 0 0 0 0 0 -2.1447 -11.6469 -4.2464 H 0 0 0 0 0 0 0 0 0 -2.9391 -9.7222 -5.5671 H 0 0 0 0 0 0 0 0 0 -4.2794 -4.0137 -2.1402 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 42 1 0 0 0 0 2 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 9 10 2 0 0 0 0 9 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 24 1 6 0 0 0 13 14 1 1 0 0 0 13 49 1 0 0 0 0 14 18 1 1 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 26 40 1 0 0 0 0 26 31 1 0 0 0 0 26 27 2 0 0 0 0 27 41 1 0 0 0 0 27 28 1 0 0 0 0 28 33 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 37 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 34 35 2 0 0 0 0 34 55 1 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 36 37 2 0 0 0 0 36 57 1 0 0 0 0 37 58 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 59 1 0 0 0 0 M END > 641233 > K $$$$ 641240 1016 111283D 641240 57 60 0 1 V2000 15.8643 -0.6229 2.9175 C 0 0 0 0 0 0 0 0 0 15.2654 -1.8202 3.2869 C 0 0 0 0 0 0 0 0 0 14.3209 -2.4151 2.4622 C 0 0 0 0 0 0 0 0 0 13.9636 -1.8221 1.2589 C 0 0 0 0 0 0 0 0 0 14.5572 -0.6218 0.8790 C 0 0 0 0 0 0 0 0 0 15.5113 -0.0239 1.7142 C 0 0 0 0 0 0 0 0 0 16.1382 1.2573 1.2958 C 0 0 0 0 0 0 0 0 0 16.9650 1.7990 1.9936 O 0 0 0 0 0 0 0 0 0 15.7283 1.8623 -0.0011 C 0 0 0 0 0 0 0 0 0 14.7466 1.1987 -0.8084 C 0 0 0 0 0 0 0 0 0 14.1827 0.0253 -0.4092 C 0 0 0 0 0 0 0 0 0 16.2098 2.9066 -0.3865 O 0 0 0 0 0 0 0 0 0 13.2535 -0.5707 -1.2157 N 0 0 0 0 0 0 0 0 0 13.3470 -0.4511 -2.5859 C 0 0 0 0 0 0 0 0 0 12.2082 -0.1805 -3.3569 C 0 0 0 0 0 0 0 0 0 12.3095 -0.0651 -4.7458 C 0 0 0 0 0 0 0 0 0 13.5407 -0.2175 -5.3558 C 0 0 0 0 0 0 0 0 0 14.6733 -0.4849 -4.5936 C 0 0 0 0 0 0 0 0 0 14.5795 -0.5957 -3.2152 C 0 0 0 0 0 0 0 0 0 10.8909 -0.0206 -2.7006 C 0 0 0 0 0 0 0 0 0 10.7874 0.6959 -1.7297 O 0 0 0 0 0 0 0 0 0 9.6897 -0.7470 -3.2403 C 0 0 0 0 0 0 0 0 0 10.0439 -2.1874 -3.4871 C 0 0 0 0 0 0 0 0 0 9.9403 -2.6562 -4.5963 O 0 0 0 0 0 0 0 0 0 10.5247 -3.0440 -2.3604 C 0 0 0 0 0 0 0 0 0 10.6347 -2.5740 -1.2492 O 0 0 0 0 0 0 0 0 0 10.8346 -4.3431 -2.5750 N 0 0 0 0 0 0 0 0 0 11.3296 -5.1177 -1.5471 C 0 0 0 0 0 0 0 0 0 12.5132 -4.7587 -0.9114 C 0 0 0 0 0 0 0 0 0 13.0116 -5.5379 0.1217 C 0 0 0 0 0 0 0 0 0 12.3323 -6.6809 0.5290 C 0 0 0 0 0 0 0 0 0 11.1538 -7.0511 -0.0942 C 0 0 0 0 0 0 0 0 0 10.6455 -6.2665 -1.1317 C 0 0 0 0 0 0 0 0 0 9.3750 -6.6566 -1.7962 C 0 0 0 0 0 0 0 0 0 8.4282 -5.9003 -1.7830 O 0 0 0 0 0 0 0 0 0 9.2800 -7.8596 -2.4133 O 0 0 0 0 0 0 0 0 0 8.0486 -8.2289 -3.0567 C 0 0 0 0 0 0 0 0 0 16.5900 -0.1651 3.5573 H 0 0 0 0 0 0 0 0 0 15.5330 -2.2870 4.2106 H 0 0 0 0 0 0 0 0 0 13.8656 -3.3362 2.7561 H 0 0 0 0 0 0 0 0 0 13.2347 -2.2895 0.6316 H 0 0 0 0 0 0 0 0 0 14.4663 1.6459 -1.7319 H 0 0 0 0 0 0 0 0 0 12.5190 -1.0735 -0.8221 H 0 0 0 0 0 0 0 0 0 11.4421 0.1410 -5.3386 H 0 0 0 0 0 0 0 0 0 13.6235 -0.1291 -6.4179 H 0 0 0 0 0 0 0 0 0 15.6208 -0.6017 -5.0735 H 0 0 0 0 0 0 0 0 0 15.4578 -0.7999 -2.6375 H 0 0 0 0 0 0 0 0 0 8.8805 -0.6922 -2.5179 H 0 0 0 0 0 0 0 0 0 9.3764 -0.2872 -4.1740 H 0 0 0 0 0 0 0 0 0 10.7033 -4.7242 -3.4606 H 0 0 0 0 0 0 0 0 0 13.0435 -3.8813 -1.2185 H 0 0 0 0 0 0 0 0 0 13.9220 -5.2595 0.6072 H 0 0 0 0 0 0 0 0 0 12.7232 -7.2761 1.3263 H 0 0 0 0 0 0 0 0 0 10.6355 -7.9319 0.2238 H 0 0 0 0 0 0 0 0 0 8.1542 -9.2214 -3.4978 H 0 0 0 0 0 0 0 0 0 7.2393 -8.2484 -2.3296 H 0 0 0 0 0 0 0 0 0 7.8092 -7.5154 -3.8426 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 2 0 0 0 0 4 41 1 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 12 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 33 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 33 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 34 36 1 0 0 0 0 34 35 2 0 0 0 0 36 37 1 0 0 0 0 37 55 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 M END > 641240 > K $$$$ 641245 1016 111283D 641245 57 61 0 1 V2000 0.0593 -2.1940 3.0062 C 0 0 0 0 0 0 0 0 0 -1.1600 -1.8202 3.7731 C 0 0 0 0 0 0 0 0 0 -1.0500 -1.2778 5.0036 C 0 0 0 0 0 0 0 0 0 0.2744 -1.0458 5.6080 C 0 0 0 0 0 0 0 0 0 1.4702 -1.6686 4.9864 C 0 0 0 0 0 0 0 0 0 1.3650 -2.2316 3.7087 C 0 0 0 0 0 0 0 0 0 2.4755 -2.8180 3.1119 C 0 0 0 0 0 0 0 0 0 3.6858 -2.8411 3.7925 C 0 0 0 0 0 0 0 0 0 3.7897 -2.2843 5.0572 C 0 0 0 0 0 0 0 0 0 2.6855 -1.6955 5.6600 C 0 0 0 0 0 0 0 0 0 -0.0150 -2.4649 1.8283 O 0 0 0 0 0 0 0 0 0 0.3844 -0.3556 6.5974 O 0 0 0 0 0 0 0 0 0 -2.4806 -0.8473 5.8891 Cl 0 0 0 0 0 0 0 0 0 -2.4056 -2.0300 3.2194 N 0 0 0 0 0 0 0 0 0 -2.7305 -3.2431 2.7223 C 0 0 0 0 0 0 0 0 0 -1.9737 -4.1781 2.8668 O 0 0 0 0 0 0 0 0 0 -4.0200 -3.4318 1.9973 C 0 0 0 0 0 0 0 0 0 -4.7957 -2.5108 1.8965 O 0 0 0 0 0 0 0 0 0 -4.3538 -4.7691 1.3927 C 0 0 0 0 0 0 0 0 0 -5.0903 -4.5625 0.0960 C 0 0 0 0 0 0 0 0 0 -4.5138 -4.1070 -0.8662 O 0 0 0 0 0 0 0 0 0 -6.5178 -4.9167 -0.0039 C 0 0 0 0 0 0 0 0 0 -7.3824 -4.6288 1.0552 C 0 0 0 0 0 0 0 0 0 -8.7209 -4.9624 0.9562 C 0 0 0 0 0 0 0 0 0 -9.2055 -5.5821 -0.1873 C 0 0 0 0 0 0 0 0 0 -8.3577 -5.8719 -1.2420 C 0 0 0 0 0 0 0 0 0 -7.0075 -5.5381 -1.1615 C 0 0 0 0 0 0 0 0 0 -6.1631 -5.8225 -2.2214 N 0 0 0 0 0 0 0 0 0 -6.6108 -5.6826 -3.5311 C 0 0 0 0 0 0 0 0 0 -6.0812 -6.5618 -4.5994 C 0 0 0 0 0 0 0 0 0 -6.9420 -6.7292 -5.8227 C 0 0 0 0 0 0 0 0 0 -7.7726 -5.5549 -6.1923 C 0 0 0 0 0 0 0 0 0 -8.0469 -4.5861 -5.2147 C 0 0 0 0 0 0 0 0 0 -7.5369 -4.7467 -3.8389 C 0 0 0 0 0 0 0 0 0 -5.0096 -7.1176 -4.4904 O 0 0 0 0 0 0 0 0 0 -6.9570 -7.7564 -6.4656 O 0 0 0 0 0 0 0 0 0 -8.2704 -5.4135 -7.4834 C 0 0 0 0 0 0 0 0 0 -9.0363 -4.3002 -7.8014 C 0 0 0 0 0 0 0 0 0 -9.3031 -3.3364 -6.8408 C 0 0 0 0 0 0 0 0 0 -8.8135 -3.4706 -5.5493 C 0 0 0 0 0 0 0 0 0 2.4004 -3.2521 2.1305 H 0 0 0 0 0 0 0 0 0 4.5477 -3.2934 3.3365 H 0 0 0 0 0 0 0 0 0 4.7320 -2.3083 5.5741 H 0 0 0 0 0 0 0 0 0 2.7727 -1.2648 6.6418 H 0 0 0 0 0 0 0 0 0 -3.0527 -1.3068 3.1876 H 0 0 0 0 0 0 0 0 0 -3.4348 -5.3222 1.2026 H 0 0 0 0 0 0 0 0 0 -4.9806 -5.3335 2.0824 H 0 0 0 0 0 0 0 0 0 -7.0153 -4.1487 1.9452 H 0 0 0 0 0 0 0 0 0 -9.3880 -4.7413 1.7691 H 0 0 0 0 0 0 0 0 0 -10.2471 -5.8386 -0.2548 H 0 0 0 0 0 0 0 0 0 -8.7435 -6.3530 -2.1229 H 0 0 0 0 0 0 0 0 0 -5.2526 -6.1199 -2.0471 H 0 0 0 0 0 0 0 0 0 -7.9111 -4.1004 -3.0650 H 0 0 0 0 0 0 0 0 0 -8.0643 -6.1584 -8.2316 H 0 0 0 0 0 0 0 0 0 -9.4248 -4.1839 -8.7970 H 0 0 0 0 0 0 0 0 0 -9.8946 -2.4774 -7.0999 H 0 0 0 0 0 0 0 0 0 -9.0273 -2.7151 -4.8136 H 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 14 1 0 0 0 0 2 3 2 0 0 0 0 3 13 1 0 0 0 0 3 4 1 0 0 0 0 4 12 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 27 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 35 2 0 0 0 0 30 31 1 0 0 0 0 31 36 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 40 1 0 0 0 0 34 53 1 0 0 0 0 37 38 2 0 0 0 0 37 54 1 0 0 0 0 38 39 1 0 0 0 0 38 55 1 0 0 0 0 39 40 2 0 0 0 0 39 56 1 0 0 0 0 40 57 1 0 0 0 0 M END > 641245 > K $$$$ 641250 1016 111283D 641250 51 54 0 1 V2000 3.4493 0.7150 1.7550 C 0 0 0 0 0 0 0 0 0 2.8895 -0.5463 1.7272 C 0 0 0 0 0 0 0 0 0 2.9910 1.7066 0.9016 C 0 0 0 0 0 0 0 0 0 -4.1569 5.4962 -5.4857 C 0 0 0 0 0 0 0 0 0 -3.8005 4.7180 -4.4011 C 0 0 0 0 0 0 0 0 0 -2.4696 4.3707 -4.2046 C 0 0 0 0 0 0 0 0 0 -1.5009 4.8074 -5.0995 C 0 0 0 0 0 0 0 0 0 -1.8624 5.5855 -6.1818 C 0 0 0 0 0 0 0 0 0 -3.1881 5.9304 -6.3759 C 0 0 0 0 0 0 0 0 0 -5.8203 5.9250 -5.7366 Cl 0 0 0 0 0 0 0 0 0 -3.6387 6.9080 -7.7379 Cl 0 0 0 0 0 0 0 0 0 -2.1061 3.5838 -3.1088 N 0 0 0 0 0 0 0 0 0 -1.2357 2.5673 -3.2682 C 0 0 0 0 0 0 0 0 0 -0.8591 2.2593 -4.3805 O 0 0 0 0 0 0 0 0 0 -0.7356 1.8217 -2.0796 C 0 0 0 0 0 0 0 0 0 -1.0818 2.1511 -0.9704 O 0 0 0 0 0 0 0 0 0 0.2024 0.6561 -2.2611 C 0 0 0 0 0 0 0 0 0 0.3027 -0.1138 -0.9696 C 0 0 0 0 0 0 0 0 0 -0.5159 -0.9702 -0.7089 O 0 0 0 0 0 0 0 0 0 1.3906 0.1724 -0.0272 C 0 0 0 0 0 0 0 0 0 1.9699 1.4455 0.0146 C 0 0 0 0 0 0 0 0 0 1.8592 -0.8316 0.8400 C 0 0 0 0 0 0 0 0 0 1.2954 -2.0992 0.8096 N 0 0 0 0 0 0 0 0 0 0.9636 -2.7309 1.9817 C 0 0 0 0 0 0 0 0 0 1.1144 -4.1942 2.0814 C 0 0 0 0 0 0 0 0 0 0.7780 -4.8561 3.2778 C 0 0 0 0 0 0 0 0 0 0.2763 -4.0634 4.4198 C 0 0 0 0 0 0 0 0 0 0.1464 -2.5828 4.2556 C 0 0 0 0 0 0 0 0 0 0.5024 -1.9857 3.0414 C 0 0 0 0 0 0 0 0 0 1.5875 -4.9323 1.0008 C 0 0 0 0 0 0 0 0 0 1.7232 -6.3068 1.1106 C 0 0 0 0 0 0 0 0 0 1.3919 -6.9544 2.2859 C 0 0 0 0 0 0 0 0 0 0.9192 -6.2359 3.3724 C 0 0 0 0 0 0 0 0 0 -0.2639 -1.8993 5.1758 O 0 0 0 0 0 0 0 0 0 -0.0233 -4.6011 5.4654 O 0 0 0 0 0 0 0 0 0 4.2471 0.9322 2.4497 H 0 0 0 0 0 0 0 0 0 3.2531 -1.3126 2.3959 H 0 0 0 0 0 0 0 0 0 3.4369 2.6897 0.9326 H 0 0 0 0 0 0 0 0 0 -4.5557 4.3798 -3.7070 H 0 0 0 0 0 0 0 0 0 -0.4657 4.5391 -4.9486 H 0 0 0 0 0 0 0 0 0 -1.1094 5.9252 -6.8775 H 0 0 0 0 0 0 0 0 0 -2.4803 3.7691 -2.2332 H 0 0 0 0 0 0 0 0 0 -0.1784 0.0020 -3.0454 H 0 0 0 0 0 0 0 0 0 1.1891 1.0242 -2.5422 H 0 0 0 0 0 0 0 0 0 1.6167 2.2224 -0.6472 H 0 0 0 0 0 0 0 0 0 1.1358 -2.5388 -0.0402 H 0 0 0 0 0 0 0 0 0 0.4096 -0.9152 2.9328 H 0 0 0 0 0 0 0 0 0 1.8481 -4.4348 0.0784 H 0 0 0 0 0 0 0 0 0 2.0906 -6.8772 0.2703 H 0 0 0 0 0 0 0 0 0 1.5021 -8.0263 2.3578 H 0 0 0 0 0 0 0 0 0 0.6619 -6.7457 4.2891 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 36 1 0 0 0 0 2 22 2 0 0 0 0 2 37 1 0 0 0 0 3 21 1 0 0 0 0 3 38 1 0 0 0 0 4 10 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 12 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 27 35 2 0 0 0 0 27 28 1 0 0 0 0 28 34 2 0 0 0 0 28 29 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 M END > 641250 > K $$$$ 641253 1016 111283D 641253 51 54 0 1 V2000 3.2370 0.8408 1.8291 C 0 0 0 0 0 0 0 0 0 2.7318 -0.4434 1.8045 C 0 0 0 0 0 0 0 0 0 2.8255 1.7762 0.8925 C 0 0 0 0 0 0 0 0 0 -4.2431 4.2502 -6.5226 C 0 0 0 0 0 0 0 0 0 -3.8387 3.7047 -5.3205 C 0 0 0 0 0 0 0 0 0 -2.4846 3.5465 -5.0514 C 0 0 0 0 0 0 0 0 0 -1.5416 3.9378 -5.9934 C 0 0 0 0 0 0 0 0 0 -1.9520 4.4829 -7.1942 C 0 0 0 0 0 0 0 0 0 -3.3011 4.6397 -7.4592 C 0 0 0 0 0 0 0 0 0 -3.8133 5.3252 -8.9697 Cl 0 0 0 0 0 0 0 0 0 -2.0724 2.9953 -3.8355 N 0 0 0 0 0 0 0 0 0 -1.1187 2.0432 -3.8161 C 0 0 0 0 0 0 0 0 0 -0.7028 1.5791 -4.8580 O 0 0 0 0 0 0 0 0 0 -0.5750 1.5601 -2.5161 C 0 0 0 0 0 0 0 0 0 -0.9431 2.0651 -1.4824 O 0 0 0 0 0 0 0 0 0 0.4343 0.4412 -2.4906 C 0 0 0 0 0 0 0 0 0 0.4036 -0.2323 -1.1428 C 0 0 0 0 0 0 0 0 0 -0.4308 -1.0807 -0.9075 O 0 0 0 0 0 0 0 0 0 1.3832 0.1384 -0.1149 C 0 0 0 0 0 0 0 0 0 1.9060 1.4359 -0.0750 C 0 0 0 0 0 0 0 0 0 1.8041 -0.8085 0.8369 C 0 0 0 0 0 0 0 0 0 1.2954 -2.0992 0.8096 N 0 0 0 0 0 0 0 0 0 0.9636 -2.7309 1.9817 C 0 0 0 0 0 0 0 0 0 1.1144 -4.1942 2.0814 C 0 0 0 0 0 0 0 0 0 0.7780 -4.8561 3.2778 C 0 0 0 0 0 0 0 0 0 0.2763 -4.0634 4.4198 C 0 0 0 0 0 0 0 0 0 0.1464 -2.5828 4.2556 C 0 0 0 0 0 0 0 0 0 0.5024 -1.9857 3.0414 C 0 0 0 0 0 0 0 0 0 1.5875 -4.9323 1.0008 C 0 0 0 0 0 0 0 0 0 1.7232 -6.3068 1.1106 C 0 0 0 0 0 0 0 0 0 1.3919 -6.9544 2.2859 C 0 0 0 0 0 0 0 0 0 0.9192 -6.2359 3.3724 C 0 0 0 0 0 0 0 0 0 -0.2639 -1.8993 5.1758 O 0 0 0 0 0 0 0 0 0 -0.0233 -4.6011 5.4654 O 0 0 0 0 0 0 0 0 0 3.9547 1.1200 2.5862 H 0 0 0 0 0 0 0 0 0 3.0582 -1.1656 2.5383 H 0 0 0 0 0 0 0 0 0 3.2280 2.7780 0.9218 H 0 0 0 0 0 0 0 0 0 -5.2954 4.3693 -6.7341 H 0 0 0 0 0 0 0 0 0 -4.5741 3.4014 -4.5899 H 0 0 0 0 0 0 0 0 0 -0.4885 3.8164 -5.7868 H 0 0 0 0 0 0 0 0 0 -1.2193 4.7873 -7.9269 H 0 0 0 0 0 0 0 0 0 -2.4725 3.2980 -3.0054 H 0 0 0 0 0 0 0 0 0 0.1906 -0.2857 -3.2656 H 0 0 0 0 0 0 0 0 0 1.4300 0.8459 -2.6721 H 0 0 0 0 0 0 0 0 0 1.5888 2.1693 -0.8015 H 0 0 0 0 0 0 0 0 0 1.1743 -2.5550 -0.0380 H 0 0 0 0 0 0 0 0 0 0.4096 -0.9152 2.9328 H 0 0 0 0 0 0 0 0 0 1.8481 -4.4348 0.0784 H 0 0 0 0 0 0 0 0 0 2.0906 -6.8772 0.2703 H 0 0 0 0 0 0 0 0 0 1.5021 -8.0263 2.3578 H 0 0 0 0 0 0 0 0 0 0.6619 -6.7457 4.2891 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 35 1 0 0 0 0 2 21 2 0 0 0 0 2 36 1 0 0 0 0 3 20 1 0 0 0 0 3 37 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 11 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 32 1 0 0 0 0 26 34 2 0 0 0 0 26 27 1 0 0 0 0 27 33 2 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 M END > 641253 > K $$$$ 641607 1016 111283D 641607 51 54 1 1 V2000 1.8719 2.3596 -2.3238 C 0 0 0 0 0 0 0 0 0 1.5570 1.0285 -2.5705 C 0 0 0 0 0 0 0 0 0 1.2486 0.6042 -3.8595 C 0 0 0 0 0 0 0 0 0 1.2535 1.5061 -4.9186 C 0 0 0 0 0 0 0 0 0 1.5663 2.8347 -4.6703 C 0 0 0 0 0 0 0 0 0 1.8639 3.2520 -3.3881 C 0 0 0 0 0 0 0 0 0 2.1476 4.7156 -3.3716 C 0 0 1 0 0 0 0 0 0 1.9608 4.9102 -4.8512 C 0 0 0 0 0 0 0 0 0 2.1116 5.9963 -5.3563 O 0 0 0 0 0 0 0 0 0 1.6151 3.8227 -5.5971 O 0 0 0 0 0 0 0 0 0 1.1820 5.5683 -2.5352 C 0 0 1 0 0 0 0 0 0 -0.2420 5.4201 -3.0243 C 0 0 0 0 0 0 0 0 0 -0.8222 6.4374 -3.7726 C 0 0 0 0 0 0 0 0 0 -2.1341 6.3221 -4.2126 C 0 0 0 0 0 0 0 0 0 -2.8863 5.1931 -3.9186 C 0 0 0 0 0 0 0 0 0 -2.3006 4.1689 -3.1808 C 0 0 0 0 0 0 0 0 0 -0.9900 4.2818 -2.7403 C 0 0 0 0 0 0 0 0 0 -4.1673 5.1813 -4.3885 O 0 0 0 0 0 0 0 0 0 -4.9699 4.0490 -4.1188 C 0 0 0 0 0 0 0 0 0 1.3722 5.2520 -1.0719 C 0 0 0 0 0 0 0 0 0 2.5470 5.1349 -0.6506 N 0 0 0 0 0 0 0 0 0 0.2087 5.0744 -0.1292 C 0 0 0 0 0 0 0 0 0 0.2346 4.0339 0.7910 C 0 0 0 0 0 0 0 0 0 -0.8926 5.9235 -0.1623 C 0 0 0 0 0 0 0 0 0 -1.9651 5.7170 0.6954 C 0 0 0 0 0 0 0 0 0 -1.9499 4.6628 1.6047 C 0 0 0 0 0 0 0 0 0 -0.8403 3.8293 1.6457 C 0 0 0 0 0 0 0 0 0 -2.9535 4.3693 2.4820 O 0 0 0 0 0 0 0 0 0 -4.1191 5.1695 2.4619 C 0 0 0 0 0 0 0 0 0 2.8477 5.0037 0.7224 O 0 0 0 0 0 0 0 0 0 2.1091 2.6761 -1.3506 H 0 0 0 0 0 0 0 0 0 1.5523 0.3389 -1.7774 H 0 0 0 0 0 0 0 0 0 1.0115 -0.4047 -4.0333 H 0 0 0 0 0 0 0 0 0 1.0248 1.1916 -5.8937 H 0 0 0 0 0 0 0 0 0 3.1779 4.9033 -3.1087 H 0 0 0 0 0 0 0 0 0 1.4808 6.5996 -2.6637 H 0 0 0 0 0 0 0 0 0 -0.2718 7.3006 -4.0094 H 0 0 0 0 0 0 0 0 0 -2.5678 7.0951 -4.7749 H 0 0 0 0 0 0 0 0 0 -2.8410 3.3011 -2.9485 H 0 0 0 0 0 0 0 0 0 -0.5708 3.4955 -2.1855 H 0 0 0 0 0 0 0 0 0 -4.5336 3.1620 -4.5557 H 0 0 0 0 0 0 0 0 0 -5.0911 3.9142 -3.0533 H 0 0 0 0 0 0 0 0 0 -5.9439 4.2049 -4.5582 H 0 0 0 0 0 0 0 0 0 1.0661 3.3944 0.8412 H 0 0 0 0 0 0 0 0 0 -0.9212 6.7285 -0.8367 H 0 0 0 0 0 0 0 0 0 -2.7862 6.3682 0.6476 H 0 0 0 0 0 0 0 0 0 -0.8185 3.0363 2.3329 H 0 0 0 0 0 0 0 0 0 -4.8084 4.7892 3.2012 H 0 0 0 0 0 0 0 0 0 -3.8805 6.1943 2.7097 H 0 0 0 0 0 0 0 0 0 -4.5959 5.1249 1.4927 H 0 0 0 0 0 0 0 0 0 3.7874 5.1236 0.8308 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 6 0 0 0 7 35 1 1 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 11 20 1 0 0 0 0 11 12 1 1 0 0 0 11 36 1 6 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 27 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 27 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M END > 641607 > K $$$$ 642033 1016 111283D 642033 63 65 1 1 V2000 7.7698 0.4929 0.6998 C 0 0 0 0 0 0 0 0 0 8.3258 0.5428 1.9702 C 0 0 0 0 0 0 0 0 0 8.4532 1.7632 2.6217 C 0 0 0 0 0 0 0 0 0 8.0263 2.9315 2.0011 C 0 0 0 0 0 0 0 0 0 7.4692 2.8809 0.7281 C 0 0 0 0 0 0 0 0 0 7.3370 1.6606 0.0770 C 0 0 0 0 0 0 0 0 0 6.7924 1.5836 -1.1599 N 0 0 0 0 0 0 0 0 0 6.6304 0.3907 -1.7829 C 0 0 0 0 0 0 0 0 0 7.0820 -0.7660 -1.1634 C 0 0 0 0 0 0 0 0 0 7.6454 -0.6921 0.0612 N 0 0 0 0 0 0 0 0 0 4.8376 1.2855 -3.1566 C 0 0 0 0 0 0 0 0 0 4.9817 2.5269 -3.3191 N 0 0 0 0 0 0 0 0 0 4.2057 3.4044 -2.8174 N 0 0 0 0 0 0 0 0 0 4.3648 4.7348 -3.0361 C 0 0 0 0 0 0 0 0 0 5.2644 5.1598 -3.7169 O 0 0 0 0 0 0 0 0 0 3.5010 5.6160 -2.4818 N 0 0 0 0 0 0 0 0 0 3.4803 0.6519 -2.9707 C 0 0 0 0 0 0 0 0 0 3.4459 -0.4179 -2.4114 O 0 0 0 0 0 0 0 0 0 2.3113 1.2078 -3.4021 N 0 0 0 0 0 0 0 0 0 1.1096 0.5606 -3.2621 C 0 0 0 0 0 0 0 0 0 0.0283 1.2555 -2.7131 C 0 0 0 0 0 0 0 0 0 -1.1588 0.5745 -2.4600 C 0 0 0 0 0 0 0 0 0 -1.2945 -0.7649 -2.7848 C 0 0 0 0 0 0 0 0 0 -0.2409 -1.4314 -3.3873 C 0 0 0 0 0 0 0 0 0 0.9564 -0.7755 -3.6535 C 0 0 0 0 0 0 0 0 0 5.9703 0.2989 -3.1220 C 0 0 1 0 0 0 0 0 0 6.9274 0.2461 -4.2725 C 0 0 0 0 0 0 0 0 0 6.4973 0.1125 -5.3900 O 0 0 0 0 0 0 0 0 0 9.0561 0.0774 -5.1994 C 0 0 0 0 0 0 0 0 0 8.2680 0.3352 -4.0542 O 0 0 0 0 0 0 0 0 0 0.1163 2.7340 -2.3835 C 0 0 0 0 0 0 0 0 0 -1.1723 3.5149 -2.6603 C 0 0 0 0 0 0 0 0 0 0.5567 2.9169 -0.9310 C 0 0 0 0 0 0 0 0 0 2.0537 -1.5399 -4.3686 C 0 0 0 0 0 0 0 0 0 1.5974 -2.5101 -5.4599 C 0 0 0 0 0 0 0 0 0 8.6482 -0.3436 2.4327 H 0 0 0 0 0 0 0 0 0 8.8732 1.8004 3.5854 H 0 0 0 0 0 0 0 0 0 8.1268 3.8536 2.4978 H 0 0 0 0 0 0 0 0 0 7.1481 3.7649 0.2600 H 0 0 0 0 0 0 0 0 0 6.9852 -1.6947 -1.6401 H 0 0 0 0 0 0 0 0 0 3.4684 3.1468 -2.2431 H 0 0 0 0 0 0 0 0 0 2.7623 5.3119 -1.9352 H 0 0 0 0 0 0 0 0 0 3.6301 6.5633 -2.6378 H 0 0 0 0 0 0 0 0 0 2.3465 2.0854 -3.8125 H 0 0 0 0 0 0 0 0 0 -1.9715 1.0623 -2.0146 H 0 0 0 0 0 0 0 0 0 -2.1916 -1.2712 -2.5811 H 0 0 0 0 0 0 0 0 0 -0.3637 -2.4420 -3.6358 H 0 0 0 0 0 0 0 0 0 5.5204 -0.6790 -3.1816 H 0 0 0 0 0 0 0 0 0 8.8513 -0.9098 -5.5852 H 0 0 0 0 0 0 0 0 0 8.8760 0.8092 -5.9724 H 0 0 0 0 0 0 0 0 0 10.0991 0.1211 -4.9251 H 0 0 0 0 0 0 0 0 0 0.8550 3.2091 -3.0090 H 0 0 0 0 0 0 0 0 0 -1.9611 3.2170 -1.9863 H 0 0 0 0 0 0 0 0 0 -0.9936 4.5718 -2.5279 H 0 0 0 0 0 0 0 0 0 -1.4894 3.3433 -3.6784 H 0 0 0 0 0 0 0 0 0 1.5014 2.4177 -0.7680 H 0 0 0 0 0 0 0 0 0 0.6749 3.9686 -0.7114 H 0 0 0 0 0 0 0 0 0 -0.1829 2.4974 -0.2638 H 0 0 0 0 0 0 0 0 0 2.7202 -0.8411 -4.8522 H 0 0 0 0 0 0 0 0 0 2.6175 -2.1047 -3.6399 H 0 0 0 0 0 0 0 0 0 1.0333 -3.3264 -5.0349 H 0 0 0 0 0 0 0 0 0 0.9925 -1.9933 -6.1902 H 0 0 0 0 0 0 0 0 0 2.4665 -2.9231 -5.9509 H 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 31 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 34 1 0 0 0 0 26 27 1 6 0 0 0 26 48 1 0 0 0 0 27 30 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 M END > 642033 > K $$$$ 642040 1016 111283D 642040 62 65 1 1 V2000 1.1795 12.0625 -6.6208 C 0 0 0 0 0 0 0 0 0 -0.0722 11.4462 -6.5959 C 0 0 0 0 0 0 0 0 0 -0.4440 10.6069 -7.6310 C 0 0 0 0 0 0 0 0 0 0.4248 10.3798 -8.6873 C 0 0 0 0 0 0 0 0 0 1.6693 10.9897 -8.7143 C 0 0 0 0 0 0 0 0 0 2.0517 11.8311 -7.6839 C 0 0 0 0 0 0 0 0 0 1.5830 12.9654 -5.5183 C 0 0 0 0 0 0 0 0 0 2.4796 13.7637 -5.6839 O 0 0 0 0 0 0 0 0 0 0.8854 12.8915 -4.2138 C 0 0 0 0 0 0 0 0 0 0.7381 11.6616 -3.5849 C 0 0 0 0 0 0 0 0 0 0.0773 11.6009 -2.3517 C 0 0 0 0 0 0 0 0 0 -0.4269 12.7842 -1.7689 C 0 0 0 0 0 0 0 0 0 -0.2656 14.0125 -2.4232 C 0 0 0 0 0 0 0 0 0 0.3865 14.0609 -3.6277 C 0 0 0 0 0 0 0 0 0 -1.0602 12.7266 -0.5866 N 0 0 0 0 0 0 0 0 0 -1.2056 11.5644 0.0207 C 0 0 0 0 0 0 0 0 0 -0.7081 10.3911 -0.5562 C 0 0 0 0 0 0 0 0 0 -0.0802 10.4258 -1.7203 N 0 0 0 0 0 0 0 0 0 -0.8645 9.2048 0.0832 O 0 0 0 0 0 0 0 0 0 -1.9161 11.5058 1.3465 C 0 0 1 0 0 0 0 0 0 -1.9355 12.8761 1.9707 C 0 0 0 0 0 0 0 0 0 -1.1841 13.1375 2.8802 O 0 0 0 0 0 0 0 0 0 -2.8829 13.9140 1.4677 C 0 0 0 0 0 0 0 0 0 -2.8889 15.0195 1.9587 O 0 0 0 0 0 0 0 0 0 -3.7342 13.6167 0.4620 O 0 0 0 0 0 0 0 0 0 -4.6522 14.6229 -0.0248 C 0 0 0 0 0 0 0 0 0 -3.3294 11.0298 1.1378 C 0 0 0 0 0 0 0 0 0 -3.6818 10.6361 0.0509 O 0 0 0 0 0 0 0 0 0 -4.2954 11.0431 2.2739 C 0 0 0 0 0 0 0 0 0 -3.9429 11.4370 3.3644 O 0 0 0 0 0 0 0 0 0 -5.5635 10.6163 2.0893 N 0 0 0 0 0 0 0 0 0 -6.4229 10.4940 3.1747 C 0 0 0 0 0 0 0 0 0 -7.6034 11.2282 3.2169 C 0 0 0 0 0 0 0 0 0 -8.4579 11.1049 4.2986 C 0 0 0 0 0 0 0 0 0 -8.1369 10.2504 5.3411 C 0 0 0 0 0 0 0 0 0 -6.9620 9.5181 5.3030 C 0 0 0 0 0 0 0 0 0 -6.1060 9.6339 4.2214 C 0 0 0 0 0 0 0 0 0 -6.6167 8.5922 6.4387 C 0 0 0 0 0 0 0 0 0 -7.9534 12.1585 2.0854 C 0 0 0 0 0 0 0 0 0 -0.7484 11.6201 -5.7770 H 0 0 0 0 0 0 0 0 0 -1.4075 10.1302 -7.6159 H 0 0 0 0 0 0 0 0 0 0.1318 9.7269 -9.4898 H 0 0 0 0 0 0 0 0 0 2.3382 10.8089 -9.5361 H 0 0 0 0 0 0 0 0 0 3.0179 12.3040 -7.7081 H 0 0 0 0 0 0 0 0 0 1.1276 10.7680 -4.0428 H 0 0 0 0 0 0 0 0 0 -0.6463 14.9192 -1.9885 H 0 0 0 0 0 0 0 0 0 0.5108 15.0080 -4.1212 H 0 0 0 0 0 0 0 0 0 -1.6506 8.6700 -0.0866 H 0 0 0 0 0 0 0 0 0 -1.3933 10.8137 2.0051 H 0 0 0 0 0 0 0 0 0 -5.2559 14.2042 -0.8315 H 0 0 0 0 0 0 0 0 0 -5.3066 14.9453 0.7849 H 0 0 0 0 0 0 0 0 0 -4.0927 15.4793 -0.4007 H 0 0 0 0 0 0 0 0 0 -5.8721 10.3964 1.1946 H 0 0 0 0 0 0 0 0 0 -9.3706 11.6724 4.3306 H 0 0 0 0 0 0 0 0 0 -8.8014 10.1559 6.1810 H 0 0 0 0 0 0 0 0 0 -5.1967 9.0603 4.1912 H 0 0 0 0 0 0 0 0 0 -7.0260 7.6029 6.2371 H 0 0 0 0 0 0 0 0 0 -5.5340 8.5243 6.5359 H 0 0 0 0 0 0 0 0 0 -7.0410 8.9789 7.3644 H 0 0 0 0 0 0 0 0 0 -8.5298 11.6174 1.3360 H 0 0 0 0 0 0 0 0 0 -8.5442 12.9899 2.4674 H 0 0 0 0 0 0 0 0 0 -7.0386 12.5403 1.6339 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 11 18 1 0 0 0 0 11 12 2 0 0 0 0 12 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 1 0 0 0 20 27 1 6 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 33 2 0 0 0 0 32 37 1 0 0 0 0 33 39 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 54 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 36 38 1 0 0 0 0 36 37 2 0 0 0 0 37 56 1 0 0 0 0 38 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 M END > 642040 > K $$$$ 642048 1016 111283D 642048 54 55 0 1 V2000 10.6789 6.8656 6.0982 N 0 0 0 0 0 0 0 0 0 10.6994 5.6130 6.5972 C 0 0 0 0 0 0 0 0 0 9.3839 4.6655 6.0487 S 0 0 0 0 0 0 0 0 0 8.8267 5.9726 5.1045 C 0 0 0 0 0 0 0 0 0 9.6392 7.0788 5.2711 C 0 0 0 0 0 0 0 0 0 11.7776 5.1342 7.5320 C 0 0 0 0 0 0 0 0 0 11.7544 3.6734 8.0803 S 0 0 0 0 0 0 0 0 0 12.7845 5.9688 7.9088 N 0 0 0 0 0 0 0 0 0 9.3894 8.3919 4.5970 C 0 0 0 0 0 0 0 0 0 7.6281 5.9776 4.2017 C 0 0 0 0 0 0 0 0 0 7.4445 6.9090 3.4561 O 0 0 0 0 0 0 0 0 0 6.6322 4.8701 4.1689 C 0 0 0 0 0 0 0 0 0 7.3141 3.5884 3.8287 C 0 0 0 0 0 0 0 0 0 7.1111 2.6426 4.5539 O 0 0 0 0 0 0 0 0 0 8.2233 3.4576 2.6336 C 0 0 0 0 0 0 0 0 0 8.7180 2.3787 2.4135 O 0 0 0 0 0 0 0 0 0 8.5365 4.4710 1.7778 N 0 0 0 0 0 0 0 0 0 9.4219 4.2109 0.7824 C 0 0 0 0 0 0 0 0 0 8.9939 3.5563 -0.3716 C 0 0 0 0 0 0 0 0 0 9.9135 3.3037 -1.3828 C 0 0 0 0 0 0 0 0 0 11.2422 3.6727 -1.2376 C 0 0 0 0 0 0 0 0 0 11.6573 4.3093 -0.0785 C 0 0 0 0 0 0 0 0 0 10.7501 4.6052 0.9325 C 0 0 0 0 0 0 0 0 0 7.5604 3.1053 -0.5512 C 0 0 0 0 0 0 0 0 0 6.8761 3.7155 -1.7782 C 0 0 0 0 0 0 0 0 0 7.5368 1.5790 -0.6523 C 0 0 0 0 0 0 0 0 0 11.2182 5.3348 2.1720 C 0 0 0 0 0 0 0 0 0 11.8247 4.3088 3.1294 C 0 0 0 0 0 0 0 0 0 12.2228 6.4563 1.8780 C 0 0 0 0 0 0 0 0 0 12.8019 6.8857 7.5907 H 0 0 0 0 0 0 0 0 0 13.4909 5.6571 8.4954 H 0 0 0 0 0 0 0 0 0 9.4245 8.2530 3.5255 H 0 0 0 0 0 0 0 0 0 8.4073 8.7465 4.8797 H 0 0 0 0 0 0 0 0 0 10.1358 9.1106 4.9021 H 0 0 0 0 0 0 0 0 0 6.1655 4.7808 5.1381 H 0 0 0 0 0 0 0 0 0 5.8720 5.0884 3.4313 H 0 0 0 0 0 0 0 0 0 8.1583 5.3613 1.8515 H 0 0 0 0 0 0 0 0 0 9.6065 2.8292 -2.2673 H 0 0 0 0 0 0 0 0 0 11.9337 3.4705 -2.0009 H 0 0 0 0 0 0 0 0 0 12.6687 4.5658 0.0224 H 0 0 0 0 0 0 0 0 0 6.9710 3.3879 0.3089 H 0 0 0 0 0 0 0 0 0 5.8373 3.4166 -1.7916 H 0 0 0 0 0 0 0 0 0 6.9278 4.7938 -1.7411 H 0 0 0 0 0 0 0 0 0 7.3445 3.3692 -2.6876 H 0 0 0 0 0 0 0 0 0 6.5188 1.2221 -0.7046 H 0 0 0 0 0 0 0 0 0 8.0648 1.2597 -1.5399 H 0 0 0 0 0 0 0 0 0 8.0194 1.1491 0.2141 H 0 0 0 0 0 0 0 0 0 10.3720 5.7954 2.6608 H 0 0 0 0 0 0 0 0 0 12.0949 4.7799 4.0635 H 0 0 0 0 0 0 0 0 0 11.1079 3.5238 3.3257 H 0 0 0 0 0 0 0 0 0 12.7076 3.8728 2.6838 H 0 0 0 0 0 0 0 0 0 12.4974 6.9619 2.7919 H 0 0 0 0 0 0 0 0 0 13.1253 6.0597 1.4377 H 0 0 0 0 0 0 0 0 0 11.7853 7.1709 1.1950 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 10 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END > 642048 > K $$$$ 642649 1016 111283D 642649 36 39 1 1 V2000 -2.1126 17.4160 3.8938 Cl 0 0 0 0 0 0 0 0 0 -1.5545 15.9585 3.1255 C 0 0 0 0 0 0 0 0 0 -0.1944 15.6835 3.0737 C 0 0 0 0 0 0 0 0 0 0.2506 14.5189 2.4646 C 0 0 0 0 0 0 0 0 0 -0.6623 13.6252 1.9141 C 0 0 0 0 0 0 0 0 0 -2.0225 13.9040 1.9592 C 0 0 0 0 0 0 0 0 0 -2.4671 15.0729 2.5656 C 0 0 0 0 0 0 0 0 0 -0.1988 12.4917 1.3413 N 0 0 0 0 0 0 0 0 0 1.1318 12.2127 1.2819 C 0 0 0 0 0 0 0 0 0 2.0454 13.1187 1.8173 C 0 0 0 0 0 0 0 0 0 1.5717 14.2421 2.3999 N 0 0 0 0 0 0 0 0 0 3.3983 12.9842 1.8158 O 0 0 0 0 0 0 0 0 0 1.5597 10.9237 0.6401 C 0 0 0 0 0 0 0 0 0 2.7119 10.6991 0.3522 O 0 0 0 0 0 0 0 0 0 0.5097 9.8812 0.3653 C 0 0 1 0 0 0 0 0 0 1.0003 8.6774 -0.1921 O 0 0 0 0 0 0 0 0 0 -0.1176 9.6152 1.7069 C 0 0 0 0 0 0 0 0 0 -1.5008 9.6422 1.8615 C 0 0 0 0 0 0 0 0 0 -2.0258 9.4259 3.1266 C 0 0 0 0 0 0 0 0 0 -1.2065 9.1845 4.2056 C 0 0 0 0 0 0 0 0 0 0.1704 9.1377 4.0630 C 0 0 0 0 0 0 0 0 0 0.7066 9.3468 2.7996 C 0 0 0 0 0 0 0 0 0 -1.9148 9.0144 5.3397 O 0 0 0 0 0 0 0 0 0 -3.2540 9.1076 4.8740 C 0 0 0 0 0 0 0 0 0 -3.3258 9.4168 3.4873 O 0 0 0 0 0 0 0 0 0 0.4978 16.3521 3.4931 H 0 0 0 0 0 0 0 0 0 -2.7126 13.2340 1.5366 H 0 0 0 0 0 0 0 0 0 -3.4946 15.2896 2.6023 H 0 0 0 0 0 0 0 0 0 3.6896 12.2602 1.2768 H 0 0 0 0 0 0 0 0 0 -0.2211 10.2904 -0.3198 H 0 0 0 0 0 0 0 0 0 1.8093 8.4209 0.2426 H 0 0 0 0 0 0 0 0 0 -2.1405 9.8220 1.0480 H 0 0 0 0 0 0 0 0 0 0.7904 8.9492 4.8886 H 0 0 0 0 0 0 0 0 0 1.7493 9.3035 2.6736 H 0 0 0 0 0 0 0 0 0 -3.7415 8.1581 5.0481 H 0 0 0 0 0 0 0 0 0 -3.7745 9.8686 5.4386 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 11 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 9 13 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 1 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 25 1 0 0 0 0 19 20 2 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 M END > 642649 > K $$$$ 643001 1016 111283D 643001 48 49 0 1 V2000 -0.0572 6.1328 3.9997 C 0 0 0 0 0 0 0 0 0 0.9209 7.0336 3.8173 C 0 0 0 0 0 0 0 0 0 1.7678 7.0781 2.5726 C 0 0 0 0 0 0 0 0 0 2.7693 8.0307 2.4826 C 0 0 0 0 0 0 0 0 0 3.5897 8.1283 1.3643 C 0 0 0 0 0 0 0 0 0 3.4321 7.2013 0.3166 C 0 0 0 0 0 0 0 0 0 2.4056 6.2681 0.3956 C 0 0 0 0 0 0 0 0 0 1.5794 6.2043 1.5097 C 0 0 0 0 0 0 0 0 0 -2.0642 5.2819 5.2145 C 0 0 0 0 0 0 0 0 0 -1.0041 6.1740 5.1668 C 0 0 0 0 0 0 0 0 0 -0.8652 7.0789 6.2086 C 0 0 0 0 0 0 0 0 0 -1.8007 7.1518 7.2252 C 0 0 0 0 0 0 0 0 0 -2.9217 6.3107 7.2418 C 0 0 0 0 0 0 0 0 0 -3.0006 5.3380 6.2343 C 0 0 0 0 0 0 0 0 0 -3.9556 4.3604 6.1239 O 0 0 0 0 0 0 0 0 0 4.2232 7.1480 -0.8039 O 0 0 0 0 0 0 0 0 0 -1.4810 8.1074 8.1533 O 0 0 0 0 0 0 0 0 0 -2.4664 9.1203 8.2633 C 0 0 0 0 0 0 0 0 0 4.5021 9.1509 1.4145 O 0 0 0 0 0 0 0 0 0 5.1786 9.6968 0.2901 O 0 0 0 0 0 0 0 0 0 3.9031 10.3335 0.5781 P 0 0 0 0 0 0 0 0 0 3.9043 11.3547 -0.5043 O 0 0 0 0 0 0 0 0 0 2.7016 10.4094 1.4893 O 0 0 0 0 0 0 0 0 0 -3.9058 6.4388 8.2099 O 0 0 0 0 0 0 0 0 0 -5.2863 4.8407 5.9990 C 0 0 0 0 0 0 0 0 0 -3.8029 5.4339 9.2073 C 0 0 0 0 0 0 0 0 0 5.5915 6.8348 -0.5357 C 0 0 0 0 0 0 0 0 0 -0.1809 5.3586 3.3020 H 0 0 0 0 0 0 0 0 0 1.1178 7.7448 4.5647 H 0 0 0 0 0 0 0 0 0 2.9104 8.6970 3.2777 H 0 0 0 0 0 0 0 0 0 2.2582 5.6038 -0.4005 H 0 0 0 0 0 0 0 0 0 0.8118 5.4927 1.5393 H 0 0 0 0 0 0 0 0 0 -2.1836 4.5444 4.4778 H 0 0 0 0 0 0 0 0 0 -0.0529 7.7366 6.2562 H 0 0 0 0 0 0 0 0 0 -3.4517 8.7189 8.4633 H 0 0 0 0 0 0 0 0 0 -2.1974 9.7841 9.0729 H 0 0 0 0 0 0 0 0 0 -2.4962 9.7094 7.3559 H 0 0 0 0 0 0 0 0 0 3.0912 11.3778 -0.0015 H 0 0 0 0 0 0 0 0 0 3.4136 10.3212 2.1351 H 0 0 0 0 0 0 0 0 0 -5.5768 5.5316 6.7791 H 0 0 0 0 0 0 0 0 0 -5.4139 5.3189 5.0365 H 0 0 0 0 0 0 0 0 0 -5.9620 3.9971 6.0323 H 0 0 0 0 0 0 0 0 0 -4.5716 5.5942 9.9499 H 0 0 0 0 0 0 0 0 0 -3.9438 4.4436 8.7899 H 0 0 0 0 0 0 0 0 0 -2.8460 5.4760 9.7120 H 0 0 0 0 0 0 0 0 0 6.1227 6.7697 -1.4750 H 0 0 0 0 0 0 0 0 0 6.1006 7.5768 0.0715 H 0 0 0 0 0 0 0 0 0 5.7058 5.8704 -0.0569 H 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 2 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 19 1 0 0 0 0 5 6 2 0 0 0 0 6 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 2 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 17 1 0 0 0 0 12 13 2 0 0 0 0 13 24 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 25 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END > 643001 > K $$$$ 643028 1016 111283D 643028 29 30 0 1 V2000 -1.8712 3.3770 -0.1267 C 0 0 0 0 0 0 0 0 0 -2.0796 3.9452 -1.3794 C 0 0 0 0 0 0 0 0 0 -2.8685 5.0520 -1.5104 C 0 0 0 0 0 0 0 0 0 -3.4728 5.6199 -0.3796 C 0 0 0 0 0 0 0 0 0 -3.2631 5.0468 0.8828 C 0 0 0 0 0 0 0 0 0 -2.4654 3.9316 1.0023 C 0 0 0 0 0 0 0 0 0 -1.0899 2.2743 -0.0062 O 0 0 0 0 0 0 0 0 0 -1.4398 1.2845 0.8564 C 0 0 0 0 0 0 0 0 0 -2.7747 0.9424 1.0169 C 0 0 0 0 0 0 0 0 0 -3.1278 -0.0644 1.8948 C 0 0 0 0 0 0 0 0 0 -2.1523 -0.7303 2.6133 C 0 0 0 0 0 0 0 0 0 -0.8209 -0.3911 2.4551 C 0 0 0 0 0 0 0 0 0 -0.4620 0.6103 1.5744 C 0 0 0 0 0 0 0 0 0 -4.3194 6.8075 -0.5166 C 0 0 0 0 0 0 0 0 0 -5.5333 6.8660 0.1306 C 0 0 0 0 0 0 0 0 0 -6.3018 8.0741 0.1034 C 0 0 0 0 0 0 0 0 0 -6.9114 9.0325 0.0819 N 0 0 0 0 0 0 0 0 0 -6.0268 5.7192 0.8321 C 0 0 0 0 0 0 0 0 0 -6.4185 4.8096 1.3886 N 0 0 0 0 0 0 0 0 0 -1.6151 3.5093 -2.2516 H 0 0 0 0 0 0 0 0 0 -3.0269 5.4900 -2.4848 H 0 0 0 0 0 0 0 0 0 -3.7254 5.4790 1.7579 H 0 0 0 0 0 0 0 0 0 -2.3009 3.4871 1.9727 H 0 0 0 0 0 0 0 0 0 -3.5372 1.4627 0.4564 H 0 0 0 0 0 0 0 0 0 -4.1669 -0.3311 2.0201 H 0 0 0 0 0 0 0 0 0 -2.4305 -1.5165 3.2995 H 0 0 0 0 0 0 0 0 0 -0.0608 -0.9126 3.0180 H 0 0 0 0 0 0 0 0 0 0.5782 0.8714 1.4476 H 0 0 0 0 0 0 0 0 0 -3.9916 7.6370 -1.1256 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 3 0 0 0 0 18 19 3 0 0 0 0 M END > 643028 > K $$$$ 643031 1016 111283D 643031 29 30 0 1 V2000 3.3075 2.3190 3.3257 C 0 0 0 0 0 0 0 0 0 3.7936 1.6930 2.1849 C 0 0 0 0 0 0 0 0 0 4.5921 2.4115 1.2998 C 0 0 0 0 0 0 0 0 0 4.9177 3.7350 1.5602 C 0 0 0 0 0 0 0 0 0 4.4206 4.3523 2.7028 C 0 0 0 0 0 0 0 0 0 3.6212 3.6461 3.5885 C 0 0 0 0 0 0 0 0 0 3.4737 0.3864 1.9532 O 0 0 0 0 0 0 0 0 0 4.4582 -0.4215 1.4574 C 0 0 0 0 0 0 0 0 0 5.7905 -0.2884 1.8418 C 0 0 0 0 0 0 0 0 0 6.7666 -1.1254 1.3179 C 0 0 0 0 0 0 0 0 0 6.4150 -2.1065 0.4010 C 0 0 0 0 0 0 0 0 0 5.0884 -2.2487 0.0152 C 0 0 0 0 0 0 0 0 0 4.1149 -1.4105 0.5453 C 0 0 0 0 0 0 0 0 0 5.8032 4.4886 0.6087 C 0 0 0 0 0 0 0 0 0 6.7624 5.3069 1.0655 C 0 0 0 0 0 0 0 0 0 7.5329 6.1756 0.1256 C 0 0 0 0 0 0 0 0 0 8.1370 6.8549 -0.6007 N 0 0 0 0 0 0 0 0 0 7.0914 5.3756 2.5275 C 0 0 0 0 0 0 0 0 0 7.3159 5.3990 3.6693 N 0 0 0 0 0 0 0 0 0 2.7004 1.7839 3.9926 H 0 0 0 0 0 0 0 0 0 4.9538 1.9469 0.4300 H 0 0 0 0 0 0 0 0 0 4.6439 5.3592 2.9046 H 0 0 0 0 0 0 0 0 0 3.2577 4.1198 4.4529 H 0 0 0 0 0 0 0 0 0 6.0651 0.4504 2.5356 H 0 0 0 0 0 0 0 0 0 7.7683 -1.0158 1.6160 H 0 0 0 0 0 0 0 0 0 7.1519 -2.7396 0.0010 H 0 0 0 0 0 0 0 0 0 4.8215 -2.9912 -0.6780 H 0 0 0 0 0 0 0 0 0 3.1119 -1.5205 0.2572 H 0 0 0 0 0 0 0 0 0 5.6664 4.3648 -0.4275 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 20 1 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 3 0 0 0 0 18 19 3 0 0 0 0 M END > 643031 > K $$$$ 643148 1016 111283D 643148 47 51 0 2 V2000 2.4748 -4.7955 -0.0788 C 0 0 0 0 0 0 0 0 0 3.5450 -4.3890 -0.8541 C 0 0 0 0 0 0 0 0 0 3.9449 -3.0660 -0.8406 C 0 0 0 0 0 0 0 0 0 3.2745 -2.1492 -0.0523 C 0 0 0 0 0 0 0 0 0 2.2042 -2.5555 0.7220 C 0 0 0 0 0 0 0 0 0 1.8049 -3.8791 0.7097 C 0 0 0 0 0 0 0 0 0 2.0426 -6.2111 -0.0979 N 0 3 0 0 0 0 0 0 0 1.0998 -6.5693 0.5850 O 0 0 0 0 0 0 0 0 0 2.6297 -7.0177 -0.7966 O 0 5 0 0 0 0 0 0 0 2.8715 1.6430 -0.2504 C 0 0 0 0 0 0 0 0 0 2.4786 0.1988 -0.0018 C 0 0 0 0 0 0 0 0 0 1.5455 -0.1268 -1.1529 C 0 0 0 0 0 0 0 0 0 1.8821 0.8292 -2.2273 C 0 0 0 0 0 0 0 0 0 2.6651 1.8738 -1.6945 C 0 0 0 0 0 0 0 0 0 3.1042 2.8997 -2.5319 C 0 0 0 0 0 0 0 0 0 2.7712 2.8880 -3.8733 C 0 0 0 0 0 0 0 0 0 2.0027 1.8628 -4.3962 C 0 0 0 0 0 0 0 0 0 1.5565 0.8373 -3.5839 C 0 0 0 0 0 0 0 0 0 0.6983 -0.9935 -1.1847 O 0 0 0 0 0 0 0 0 0 3.2681 2.4440 0.5687 O 0 0 0 0 0 0 0 0 0 3.7112 -0.7069 -0.0368 C 0 0 0 0 0 0 0 0 0 4.5702 -0.4473 1.2024 C 0 0 0 0 0 0 0 0 0 3.8628 -0.9355 2.4527 C 0 0 0 0 0 0 0 0 0 3.0375 -0.3354 3.1072 O 0 0 0 0 0 0 0 0 0 5.8386 -1.2784 1.1550 C 0 0 0 0 0 0 0 0 0 5.5525 -2.4953 1.9417 C 0 0 0 0 0 0 0 0 0 4.3863 -2.2929 2.7079 C 0 0 0 0 0 0 0 0 0 6.8735 -1.0011 0.5877 O 0 0 0 0 0 0 0 0 0 6.2245 -3.7154 2.0217 C 0 0 0 0 0 0 0 0 0 5.7468 -4.7152 2.8478 C 0 0 0 0 0 0 0 0 0 4.6021 -4.5166 3.5998 C 0 0 0 0 0 0 0 0 0 3.9216 -3.3153 3.5357 C 0 0 0 0 0 0 0 0 0 4.0686 -5.1052 -1.4699 H 0 0 0 0 0 0 0 0 0 4.7812 -2.7486 -1.4456 H 0 0 0 0 0 0 0 0 0 1.6805 -1.8393 1.3380 H 0 0 0 0 0 0 0 0 0 0.9693 -4.1968 1.3155 H 0 0 0 0 0 0 0 0 0 1.9585 0.1023 0.9514 H 0 0 0 0 0 0 0 0 0 3.7045 3.7034 -2.1318 H 0 0 0 0 0 0 0 0 0 3.1132 3.6843 -4.5178 H 0 0 0 0 0 0 0 0 0 1.7486 1.8647 -5.4459 H 0 0 0 0 0 0 0 0 0 0.9572 0.0410 -4.0000 H 0 0 0 0 0 0 0 0 0 4.2932 -0.4939 -0.9334 H 0 0 0 0 0 0 0 0 0 4.8078 0.6132 1.2867 H 0 0 0 0 0 0 0 0 0 7.1181 -3.8788 1.4377 H 0 0 0 0 0 0 0 0 0 6.2703 -5.6580 2.9067 H 0 0 0 0 0 0 0 0 0 4.2381 -5.3055 4.2412 H 0 0 0 0 0 0 0 0 0 3.0292 -3.1683 4.1260 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 21 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 10 20 2 0 0 0 0 10 14 1 0 0 0 0 10 11 1 0 0 0 0 11 21 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 19 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 25 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 25 28 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 32 1 0 0 0 0 29 30 2 0 0 0 0 29 44 1 0 0 0 0 30 31 1 0 0 0 0 30 45 1 0 0 0 0 31 32 2 0 0 0 0 31 46 1 0 0 0 0 32 47 1 0 0 0 0 M CHG 2 7 1 9 -1 M END > 643148 > K $$$$ 643162 1016 111283D 643162 40 42 0 1 V2000 -0.8398 5.7523 -2.0625 C 0 0 0 0 0 0 0 0 0 -1.9280 6.3516 -2.6846 C 0 0 0 0 0 0 0 0 0 -3.2087 6.2066 -2.1548 C 0 0 0 0 0 0 0 0 0 -3.3769 5.4199 -1.0211 C 0 0 0 0 0 0 0 0 0 -2.2875 4.8179 -0.4040 C 0 0 0 0 0 0 0 0 0 -1.0049 4.9948 -0.9079 C 0 0 0 0 0 0 0 0 0 0.1555 4.3526 -0.1861 C 0 0 0 0 0 0 0 0 0 -1.5955 7.3576 -4.2693 Br 0 0 0 0 0 0 0 0 0 -4.3019 6.8119 -2.7125 N 0 0 0 0 0 0 0 0 0 -5.4738 6.0432 -3.0444 C 0 0 0 0 0 0 0 0 0 -4.3103 8.2284 -2.9773 C 0 0 0 0 0 0 0 0 0 1.7993 6.2461 -0.5120 C 0 0 0 0 0 0 0 0 0 2.7446 6.8805 0.5126 C 0 0 0 0 0 0 0 0 0 3.9327 6.0125 0.8413 C 0 0 0 0 0 0 0 0 0 3.8138 4.6254 0.8311 C 0 0 0 0 0 0 0 0 0 2.4931 3.9956 0.4853 C 0 0 0 0 0 0 0 0 0 2.3141 2.8138 0.6646 O 0 0 0 0 0 0 0 0 0 5.1532 6.5966 1.1614 C 0 0 0 0 0 0 0 0 0 6.2514 5.8018 1.4630 C 0 0 0 0 0 0 0 0 0 6.1315 4.4185 1.4510 C 0 0 0 0 0 0 0 0 0 4.9122 3.8312 1.1388 C 0 0 0 0 0 0 0 0 0 1.3993 4.8545 -0.0878 C 0 0 0 0 0 0 0 0 0 0.1146 5.8772 -2.4806 H 0 0 0 0 0 0 0 0 0 -4.3386 5.2821 -0.6236 H 0 0 0 0 0 0 0 0 0 -2.4383 4.2285 0.4523 H 0 0 0 0 0 0 0 0 0 -0.0303 3.4310 0.2846 H 0 0 0 0 0 0 0 0 0 -5.1891 5.0658 -3.4087 H 0 0 0 0 0 0 0 0 0 -6.1007 5.9314 -2.1719 H 0 0 0 0 0 0 0 0 0 -6.0428 6.5372 -3.8200 H 0 0 0 0 0 0 0 0 0 -4.3781 8.4055 -4.0410 H 0 0 0 0 0 0 0 0 0 -5.1652 8.6783 -2.4937 H 0 0 0 0 0 0 0 0 0 -3.4207 8.7100 -2.5963 H 0 0 0 0 0 0 0 0 0 0.9408 6.8939 -0.6064 H 0 0 0 0 0 0 0 0 0 2.3073 6.1847 -1.4645 H 0 0 0 0 0 0 0 0 0 3.0790 7.8346 0.1303 H 0 0 0 0 0 0 0 0 0 2.1958 7.0540 1.4275 H 0 0 0 0 0 0 0 0 0 5.2499 7.6429 1.1757 H 0 0 0 0 0 0 0 0 0 7.1727 6.2476 1.7003 H 0 0 0 0 0 0 0 0 0 6.9631 3.8178 1.6778 H 0 0 0 0 0 0 0 0 0 4.8228 2.7842 1.1346 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 3 9 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 22 2 0 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END > 643162 > K $$$$ 643163 1016 111283D 643163 37 39 0 1 V2000 -1.2238 0.8106 -0.5217 C 0 0 0 0 0 0 0 0 0 -0.2641 -0.1932 -0.5039 C 0 0 0 0 0 0 0 0 0 -0.1451 -1.0832 -1.5714 C 0 0 0 0 0 0 0 0 0 -1.0147 -0.9257 -2.6473 C 0 0 0 0 0 0 0 0 0 -1.9534 0.0967 -2.6746 C 0 0 0 0 0 0 0 0 0 -2.0574 0.9947 -1.6204 C 0 0 0 0 0 0 0 0 0 -3.0748 2.1042 -1.7652 C 0 0 0 0 0 0 0 0 0 -3.1686 3.2093 -1.0089 C 0 0 0 0 0 0 0 0 0 -4.5220 6.5955 -0.1558 C 0 0 0 0 0 0 0 0 0 -3.9013 5.3650 -0.3104 C 0 0 0 0 0 0 0 0 0 -4.0152 7.4677 0.8020 C 0 0 0 0 0 0 0 0 0 -2.9213 7.1051 1.5838 C 0 0 0 0 0 0 0 0 0 -2.3201 5.8607 1.4284 C 0 0 0 0 0 0 0 0 0 -2.8242 4.9906 0.4722 C 0 0 0 0 0 0 0 0 0 0.8484 -0.2512 1.0444 Br 0 0 0 0 0 0 0 0 0 0.7840 -2.0949 -1.5982 N 0 0 0 0 0 0 0 0 0 1.0549 -2.8961 -0.4300 C 0 0 0 0 0 0 0 0 0 1.5344 -2.4005 -2.7937 C 0 0 0 0 0 0 0 0 0 -4.2025 4.2609 -1.2557 C 0 0 0 0 0 0 0 0 0 -5.1000 4.2191 -2.0635 O 0 0 0 0 0 0 0 0 0 -2.3102 3.6102 0.1668 C 0 0 0 0 0 0 0 0 0 -1.2954 1.4226 0.3218 H 0 0 0 0 0 0 0 0 0 -0.9722 -1.5864 -3.4610 H 0 0 0 0 0 0 0 0 0 -2.5880 0.1881 -3.5077 H 0 0 0 0 0 0 0 0 0 -3.7782 2.0086 -2.5424 H 0 0 0 0 0 0 0 0 0 -5.3496 6.8589 -0.7473 H 0 0 0 0 0 0 0 0 0 -4.4614 8.4091 0.9366 H 0 0 0 0 0 0 0 0 0 -2.5453 7.7774 2.2987 H 0 0 0 0 0 0 0 0 0 -1.4995 5.5841 2.0234 H 0 0 0 0 0 0 0 0 0 1.9751 -2.5719 0.0338 H 0 0 0 0 0 0 0 0 0 0.2464 -2.8315 0.2849 H 0 0 0 0 0 0 0 0 0 1.1576 -3.9359 -0.7066 H 0 0 0 0 0 0 0 0 0 1.7878 -3.4504 -2.8310 H 0 0 0 0 0 0 0 0 0 1.0081 -2.1560 -3.7029 H 0 0 0 0 0 0 0 0 0 2.4501 -1.8274 -2.7743 H 0 0 0 0 0 0 0 0 0 -2.5008 2.9654 1.0122 H 0 0 0 0 0 0 0 0 0 -1.2606 3.6403 -0.0880 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 3 1 0 0 0 0 3 16 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 19 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END > 643163 > K $$$$ 643164 1016 111283D 643164 36 37 0 1 V2000 2.4082 1.3962 -0.0129 C 0 0 0 0 0 0 0 0 0 2.4168 0.0198 -0.0195 C 0 0 0 0 0 0 0 0 0 1.2178 -0.6875 -0.0119 C 0 0 0 0 0 0 0 0 0 0.0018 -0.0039 0.0026 C 0 0 0 0 0 0 0 0 0 -0.0162 1.3723 0.0096 C 0 0 0 0 0 0 0 0 0 1.1888 2.0860 0.0019 C 0 0 0 0 0 0 0 0 0 1.1742 3.5546 0.0094 C 0 0 0 0 0 0 0 0 0 2.3393 4.2417 0.0020 C 0 0 0 0 0 0 0 0 0 3.5883 7.8072 0.0082 C 0 0 0 0 0 0 0 0 0 3.5992 6.4117 0.0012 C 0 0 0 0 0 0 0 0 0 4.7800 8.5034 0.0011 C 0 0 0 0 0 0 0 0 0 5.9835 7.8204 -0.0136 C 0 0 0 0 0 0 0 0 0 6.0008 6.4362 -0.0202 C 0 0 0 0 0 0 0 0 0 4.8165 5.7285 -0.0132 C 0 0 0 0 0 0 0 0 0 4.0611 -0.9138 -0.0395 Br 0 0 0 0 0 0 0 0 0 1.2107 -2.0697 -0.0177 N 0 0 0 0 0 0 0 0 0 0.5429 -2.5130 1.2038 C 0 0 0 0 0 0 0 0 0 0.3931 -2.5025 -1.1483 C 0 0 0 0 0 0 0 0 0 2.3250 5.6598 0.0093 C 0 0 0 0 0 0 0 0 0 1.2649 6.2573 0.0222 O 0 0 0 0 0 0 0 0 0 3.3393 1.9422 -0.0148 H 0 0 0 0 0 0 0 0 0 -0.9266 -0.5548 0.0078 H 0 0 0 0 0 0 0 0 0 -0.9577 1.9001 0.0207 H 0 0 0 0 0 0 0 0 0 0.2338 4.0846 0.0209 H 0 0 0 0 0 0 0 0 0 3.2796 3.7122 -0.0095 H 0 0 0 0 0 0 0 0 0 2.6502 8.3414 0.0150 H 0 0 0 0 0 0 0 0 0 4.7734 9.5828 0.0066 H 0 0 0 0 0 0 0 0 0 6.9128 8.3694 -0.0195 H 0 0 0 0 0 0 0 0 0 6.9429 5.9094 -0.0324 H 0 0 0 0 0 0 0 0 0 4.8317 4.6491 -0.0184 H 0 0 0 0 0 0 0 0 0 -0.4818 -2.1340 1.1999 H 0 0 0 0 0 0 0 0 0 0.5249 -3.6011 1.2444 H 0 0 0 0 0 0 0 0 0 1.0678 -2.1237 2.0754 H 0 0 0 0 0 0 0 0 0 0.3694 -3.5901 -1.1961 H 0 0 0 0 0 0 0 0 0 -0.6227 -2.1242 -1.0111 H 0 0 0 0 0 0 0 0 0 0.8033 -2.1051 -2.0760 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 3 1 0 0 0 0 3 16 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 19 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 19 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 M END > 643164 > K $$$$ 643174 1016 111283D 643174 37 39 0 1 V2000 0.1391 0.5532 -0.7604 C 0 0 0 0 0 0 0 0 0 0.5319 1.7640 -0.1884 C 0 0 0 0 0 0 0 0 0 1.8612 1.9833 0.1537 C 0 0 0 0 0 0 0 0 0 2.8062 0.9930 -0.0747 C 0 0 0 0 0 0 0 0 0 2.4115 -0.2143 -0.6472 C 0 0 0 0 0 0 0 0 0 1.0810 -0.4399 -0.9927 C 0 0 0 0 0 0 0 0 0 -1.1678 0.3404 -1.0917 O 0 0 0 0 0 0 0 0 0 -1.5700 -0.9132 -1.6731 C 0 0 0 0 0 0 0 0 0 -0.3923 2.7415 0.0390 O 0 0 0 0 0 0 0 0 0 0.0104 3.9883 0.6345 C 0 0 0 0 0 0 0 0 0 3.4223 -1.2746 -0.8923 C 0 0 0 0 0 0 0 0 0 3.5563 -1.7802 -2.1284 C 0 0 0 0 0 0 0 0 0 4.4300 -2.8669 -2.4996 C 0 0 0 0 0 0 0 0 0 4.2811 -3.1149 -3.9575 C 0 0 0 0 0 0 0 0 0 3.3608 -2.2311 -4.4884 C 0 0 0 0 0 0 0 0 0 2.8417 -1.3397 -3.3852 C 0 0 0 0 0 0 0 0 0 5.1509 -3.4643 -1.7448 O 0 0 0 0 0 0 0 0 0 3.0540 -2.2694 -5.8454 C 0 0 0 0 0 0 0 0 0 3.6797 -3.2064 -6.6626 C 0 0 0 0 0 0 0 0 0 4.6044 -4.0963 -6.1284 C 0 0 0 0 0 0 0 0 0 4.9098 -4.0542 -4.7714 C 0 0 0 0 0 0 0 0 0 2.1578 2.9119 0.5926 H 0 0 0 0 0 0 0 0 0 3.8286 1.1672 0.1896 H 0 0 0 0 0 0 0 0 0 0.7774 -1.3688 -1.4325 H 0 0 0 0 0 0 0 0 0 -2.6426 -0.8995 -1.8675 H 0 0 0 0 0 0 0 0 0 -1.0387 -1.0732 -2.6115 H 0 0 0 0 0 0 0 0 0 -1.3414 -1.7296 -0.9877 H 0 0 0 0 0 0 0 0 0 0.7530 4.4771 0.0034 H 0 0 0 0 0 0 0 0 0 -0.8561 4.6414 0.7382 H 0 0 0 0 0 0 0 0 0 0.4407 3.8062 1.6194 H 0 0 0 0 0 0 0 0 0 4.0299 -1.6230 -0.0829 H 0 0 0 0 0 0 0 0 0 1.7720 -1.4732 -3.2647 H 0 0 0 0 0 0 0 0 0 3.0767 -0.3030 -3.5992 H 0 0 0 0 0 0 0 0 0 2.3455 -1.5894 -6.2599 H 0 0 0 0 0 0 0 0 0 3.4479 -3.2421 -7.7052 H 0 0 0 0 0 0 0 0 0 5.0812 -4.8135 -6.7600 H 0 0 0 0 0 0 0 0 0 5.6216 -4.7416 -4.3695 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 M END > 643174 > K $$$$ 643175 1016 111283D 643175 40 42 0 1 V2000 0.1049 1.1300 -0.6689 C 0 0 0 0 0 0 0 0 0 -0.0022 0.0111 0.1565 C 0 0 0 0 0 0 0 0 0 1.0812 -0.4055 0.9197 C 0 0 0 0 0 0 0 0 0 2.2723 0.2922 0.8650 C 0 0 0 0 0 0 0 0 0 2.3834 1.4138 0.0387 C 0 0 0 0 0 0 0 0 0 1.2969 1.8339 -0.7285 C 0 0 0 0 0 0 0 0 0 -0.9590 1.5317 -1.4192 O 0 0 0 0 0 0 0 0 0 -0.8457 2.6924 -2.2734 C 0 0 0 0 0 0 0 0 0 -1.1742 -0.6793 0.2159 O 0 0 0 0 0 0 0 0 0 -1.2872 -1.8400 1.0700 C 0 0 0 0 0 0 0 0 0 3.6585 2.1591 -0.0210 C 0 0 0 0 0 0 0 0 0 4.8229 1.4929 0.0669 C 0 0 0 0 0 0 0 0 0 6.0558 2.2215 0.1670 C 0 0 0 0 0 0 0 0 0 6.0576 3.4315 0.1838 O 0 0 0 0 0 0 0 0 0 7.3178 1.4479 0.2507 C 0 0 0 0 0 0 0 0 0 7.3304 0.1174 -0.1635 C 0 0 0 0 0 0 0 0 0 8.4765 2.0465 0.7367 C 0 0 0 0 0 0 0 0 0 9.6466 1.3079 0.8102 C 0 0 0 0 0 0 0 0 0 9.6574 -0.0174 0.4010 C 0 0 0 0 0 0 0 0 0 8.5033 -0.6131 -0.0851 C 0 0 0 0 0 0 0 0 0 6.0774 -0.5217 -0.6986 C 0 0 0 0 0 0 0 0 0 4.8560 -0.0118 0.0645 C 0 0 0 0 0 0 0 0 0 0.9941 -1.2683 1.5538 H 0 0 0 0 0 0 0 0 0 3.1079 -0.0331 1.4583 H 0 0 0 0 0 0 0 0 0 1.3787 2.6968 -1.3656 H 0 0 0 0 0 0 0 0 0 -1.7903 2.8575 -2.7920 H 0 0 0 0 0 0 0 0 0 -0.6072 3.5692 -1.6710 H 0 0 0 0 0 0 0 0 0 -0.0551 2.5324 -3.0068 H 0 0 0 0 0 0 0 0 0 -2.2907 -2.2579 0.9869 H 0 0 0 0 0 0 0 0 0 -0.5577 -2.5911 0.7667 H 0 0 0 0 0 0 0 0 0 -1.1009 -1.5531 2.1053 H 0 0 0 0 0 0 0 0 0 3.6463 3.2283 -0.1348 H 0 0 0 0 0 0 0 0 0 8.4681 3.0735 1.0540 H 0 0 0 0 0 0 0 0 0 10.5454 1.7619 1.1835 H 0 0 0 0 0 0 0 0 0 10.5663 -0.5864 0.4607 H 0 0 0 0 0 0 0 0 0 8.5202 -1.6397 -0.3997 H 0 0 0 0 0 0 0 0 0 5.9730 -0.2784 -1.7551 H 0 0 0 0 0 0 0 0 0 6.1459 -1.6021 -0.5853 H 0 0 0 0 0 0 0 0 0 4.8920 -0.3719 1.0924 H 0 0 0 0 0 0 0 0 0 3.9515 -0.3861 -0.4141 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 9 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 6 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 21 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END > 643175 > K $$$$ 643186 1016 111283D 643186 35 37 0 1 V2000 -2.0830 5.8111 -3.8277 C 0 0 0 0 0 0 0 0 0 -2.9268 6.0490 -4.8687 C 0 0 0 0 0 0 0 0 0 -2.9234 7.2770 -5.5276 C 0 0 0 0 0 0 0 0 0 -2.0760 8.2740 -5.1494 C 0 0 0 0 0 0 0 0 0 -1.1905 8.0674 -4.0796 C 0 0 0 0 0 0 0 0 0 -1.1935 6.8177 -3.4083 C 0 0 0 0 0 0 0 0 0 -0.3122 6.6049 -2.3395 C 0 0 0 0 0 0 0 0 0 0.5523 7.6247 -1.9536 C 0 0 0 0 0 0 0 0 0 0.5427 8.8627 -2.6307 C 0 0 0 0 0 0 0 0 0 -0.3041 9.0809 -3.6663 C 0 0 0 0 0 0 0 0 0 1.4773 7.4119 -0.8374 C 0 0 0 0 0 0 0 0 0 2.7939 7.8052 -0.9487 C 0 0 0 0 0 0 0 0 0 3.6827 7.7380 0.2208 C 0 0 0 0 0 0 0 0 0 3.3574 7.0865 1.1953 O 0 0 0 0 0 0 0 0 0 4.9715 8.4620 0.2122 C 0 0 0 0 0 0 0 0 0 5.0650 9.7203 -0.3865 C 0 0 0 0 0 0 0 0 0 6.2705 10.3903 -0.3911 C 0 0 0 0 0 0 0 0 0 7.3859 9.8185 0.1958 C 0 0 0 0 0 0 0 0 0 7.3003 8.5720 0.7902 C 0 0 0 0 0 0 0 0 0 6.0992 7.8935 0.8074 C 0 0 0 0 0 0 0 0 0 3.2960 8.2793 -2.2032 C 0 0 0 0 0 0 0 0 0 3.6942 8.6554 -3.1984 N 0 0 0 0 0 0 0 0 0 -2.0990 4.8563 -3.3233 H 0 0 0 0 0 0 0 0 0 -3.6086 5.2751 -5.1889 H 0 0 0 0 0 0 0 0 0 -3.6027 7.4404 -6.3510 H 0 0 0 0 0 0 0 0 0 -2.0850 9.2199 -5.6707 H 0 0 0 0 0 0 0 0 0 -0.3043 5.6582 -1.8200 H 0 0 0 0 0 0 0 0 0 1.2186 9.6458 -2.3201 H 0 0 0 0 0 0 0 0 0 -0.2990 10.0334 -4.1753 H 0 0 0 0 0 0 0 0 0 1.1277 6.9470 0.0725 H 0 0 0 0 0 0 0 0 0 4.1955 10.1676 -0.8451 H 0 0 0 0 0 0 0 0 0 6.3443 11.3633 -0.8539 H 0 0 0 0 0 0 0 0 0 8.3274 10.3475 0.1894 H 0 0 0 0 0 0 0 0 0 8.1746 8.1313 1.2461 H 0 0 0 0 0 0 0 0 0 6.0325 6.9229 1.2763 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 3 0 0 0 0 M END > 643186 > K $$$$ 643351 1016 111283D 643351 57 60 0 2 V2000 -1.6545 -1.0918 -0.4846 N 0 0 0 0 0 0 0 0 0 -0.5337 -0.8286 0.3886 C 0 0 0 0 0 0 0 0 0 -1.5920 -2.2258 -1.3781 C 0 0 0 0 0 0 0 0 0 -2.7364 -0.2722 -0.4891 C 0 0 0 0 0 0 0 0 0 -3.8324 -0.5194 -1.3298 C 0 0 0 0 0 0 0 0 0 -4.9322 0.2937 -1.3284 C 0 0 0 0 0 0 0 0 0 -4.9629 1.4094 -0.4804 C 0 0 0 0 0 0 0 0 0 -3.8916 1.6415 0.3946 C 0 0 0 0 0 0 0 0 0 -2.8073 0.8194 0.3871 C 0 0 0 0 0 0 0 0 0 -6.1796 2.2543 -0.4371 C 0 0 0 0 0 0 0 0 0 -6.0280 3.4701 0.0547 C 0 0 0 0 0 0 0 0 0 -7.0310 4.3432 0.3295 C 0 0 0 0 0 0 0 0 0 -8.1186 4.0764 0.1181 O 0 2 0 0 0 0 0 0 0 -8.1952 4.8518 0.4607 O 0 3 0 0 0 0 0 0 0 -18.0482 9.0015 0.5672 N 0 0 0 0 0 0 0 0 0 -18.6156 9.3365 -0.7188 C 0 0 0 0 0 0 0 0 0 -18.8534 9.1824 1.7538 C 0 0 0 0 0 0 0 0 0 -16.7619 8.5764 0.6672 C 0 0 0 0 0 0 0 0 0 -16.2079 8.2284 1.9096 C 0 0 0 0 0 0 0 0 0 -14.9128 7.8025 2.0178 C 0 0 0 0 0 0 0 0 0 -14.1642 7.5853 0.8532 C 0 0 0 0 0 0 0 0 0 -14.6950 7.9580 -0.3909 C 0 0 0 0 0 0 0 0 0 -15.9883 8.3735 -0.4836 C 0 0 0 0 0 0 0 0 0 -12.7512 7.1618 0.9744 C 0 0 0 0 0 0 0 0 0 -12.1666 6.6708 -0.0939 C 0 0 0 0 0 0 0 0 0 -10.8506 6.2577 0.0234 C 0 0 0 0 0 0 0 0 0 -10.1599 5.7268 -0.6481 O 0 2 0 0 0 0 0 0 0 -9.7342 5.9452 0.3375 O 0 3 0 0 0 0 0 0 0 -9.2145 4.8990 -0.2347 Cu 0 6 0 0 0 0 0 0 0 0.2483 -1.5620 0.2673 H 0 0 0 0 0 0 0 0 0 -0.1115 0.1486 0.1870 H 0 0 0 0 0 0 0 0 0 -0.8553 -0.8515 1.4240 H 0 0 0 0 0 0 0 0 0 -1.6682 -1.9062 -2.4108 H 0 0 0 0 0 0 0 0 0 -0.6697 -2.7742 -1.2652 H 0 0 0 0 0 0 0 0 0 -2.4124 -2.9057 -1.1745 H 0 0 0 0 0 0 0 0 0 -3.7976 -1.3418 -1.9904 H 0 0 0 0 0 0 0 0 0 -5.7357 0.0956 -1.9788 H 0 0 0 0 0 0 0 0 0 -3.8808 2.4513 1.0554 H 0 0 0 0 0 0 0 0 0 -2.0013 1.0261 1.0339 H 0 0 0 0 0 0 0 0 0 -7.0577 1.9041 -0.8757 H 0 0 0 0 0 0 0 0 0 -5.1884 3.8696 0.4913 H 0 0 0 0 0 0 0 0 0 -8.5934 3.1574 0.2441 H 0 0 0 0 0 0 0 0 0 -7.5802 5.7235 0.9070 H 0 0 0 0 0 0 0 0 0 -18.6145 8.4625 -1.3619 H 0 0 0 0 0 0 0 0 0 -19.6341 9.6808 -0.6286 H 0 0 0 0 0 0 0 0 0 -18.0394 10.1142 -1.2035 H 0 0 0 0 0 0 0 0 0 -19.8405 9.5473 1.5162 H 0 0 0 0 0 0 0 0 0 -18.9640 8.2362 2.2744 H 0 0 0 0 0 0 0 0 0 -18.3889 9.8872 2.4324 H 0 0 0 0 0 0 0 0 0 -16.7823 8.3643 2.7845 H 0 0 0 0 0 0 0 0 0 -14.5155 7.5527 2.9606 H 0 0 0 0 0 0 0 0 0 -14.1610 7.8341 -1.2802 H 0 0 0 0 0 0 0 0 0 -16.3822 8.6183 -1.4296 H 0 0 0 0 0 0 0 0 0 -12.2704 7.2004 1.8983 H 0 0 0 0 0 0 0 0 0 -12.5933 6.5756 -1.0488 H 0 0 0 0 0 0 0 0 0 -10.0617 5.8498 -1.5796 H 0 0 0 0 0 0 0 0 0 -9.7372 6.4145 1.3054 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 13 29 1 0 0 0 0 13 42 1 0 0 0 0 14 29 1 0 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 27 29 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 M CHG 5 13 2 14 1 27 2 28 1 29 -2 M END > 643351 > K $$$$ 643774 1016 111283D 643774 47 47 0 1 V2000 -0.6925 -1.2387 -0.8611 C 0 0 0 0 0 0 0 0 0 -0.2145 -0.1891 -0.0877 C 0 0 0 0 0 0 0 0 0 0.9328 0.5050 -0.4539 C 0 0 0 0 0 0 0 0 0 1.5925 0.1192 -1.6162 C 0 0 0 0 0 0 0 0 0 1.1110 -0.9307 -2.3879 C 0 0 0 0 0 0 0 0 0 -0.0368 -1.6296 -2.0246 C 0 0 0 0 0 0 0 0 0 1.3740 1.6313 0.4521 C 0 0 0 0 0 0 0 0 0 2.3417 2.5323 0.2155 C 0 0 0 0 0 0 0 0 0 3.0761 2.5710 -1.0274 N 0 0 0 0 0 0 0 0 0 4.5209 2.3896 -0.8919 C 0 0 0 0 0 0 0 0 0 4.8917 1.1203 -0.1282 C 0 0 0 0 0 0 0 0 0 2.7291 3.7011 -1.8881 C 0 0 0 0 0 0 0 0 0 1.2379 3.7643 -2.2132 C 0 0 0 0 0 0 0 0 0 2.6447 3.5267 1.3078 C 0 0 0 0 0 0 0 0 0 3.4906 4.3758 1.1472 O 0 0 0 0 0 0 0 0 0 1.9524 3.4534 2.4786 O 0 0 0 0 0 0 0 0 0 2.3672 4.4029 3.4375 C 0 0 0 0 0 0 0 0 0 1.6125 4.1035 4.7268 C 0 0 0 0 0 0 0 0 0 -0.5077 -2.6716 -2.7878 N 0 0 0 0 0 0 0 0 0 -1.8806 -3.1087 -2.6956 C 0 0 0 0 0 0 0 0 0 0.3565 -3.3674 -3.7107 C 0 0 0 0 0 0 0 0 0 -1.5615 -1.7391 -0.5527 H 0 0 0 0 0 0 0 0 0 -0.7333 0.0789 0.7858 H 0 0 0 0 0 0 0 0 0 2.4623 0.6072 -1.9333 H 0 0 0 0 0 0 0 0 0 1.6309 -1.1913 -3.2611 H 0 0 0 0 0 0 0 0 0 0.8646 1.7163 1.3674 H 0 0 0 0 0 0 0 0 0 4.9638 2.3177 -1.8757 H 0 0 0 0 0 0 0 0 0 4.9551 3.2422 -0.3880 H 0 0 0 0 0 0 0 0 0 4.4633 0.2589 -0.6187 H 0 0 0 0 0 0 0 0 0 5.9669 1.0204 -0.1071 H 0 0 0 0 0 0 0 0 0 4.5243 1.1758 0.8861 H 0 0 0 0 0 0 0 0 0 3.0276 4.6283 -1.4177 H 0 0 0 0 0 0 0 0 0 3.2598 3.6103 -2.8259 H 0 0 0 0 0 0 0 0 0 1.0551 4.5791 -2.8984 H 0 0 0 0 0 0 0 0 0 0.9250 2.8370 -2.6702 H 0 0 0 0 0 0 0 0 0 0.6666 3.9310 -1.3117 H 0 0 0 0 0 0 0 0 0 3.4302 4.3258 3.6237 H 0 0 0 0 0 0 0 0 0 2.1324 5.4048 3.1042 H 0 0 0 0 0 0 0 0 0 1.8467 3.1004 5.0525 H 0 0 0 0 0 0 0 0 0 1.9009 4.8070 5.4939 H 0 0 0 0 0 0 0 0 0 0.5500 4.1797 4.5479 H 0 0 0 0 0 0 0 0 0 -2.0083 -3.7150 -1.8103 H 0 0 0 0 0 0 0 0 0 -2.5450 -2.2577 -2.6447 H 0 0 0 0 0 0 0 0 0 -2.1639 -3.6965 -3.5574 H 0 0 0 0 0 0 0 0 0 1.3308 -3.5215 -3.2692 H 0 0 0 0 0 0 0 0 0 -0.0449 -4.3369 -3.9694 H 0 0 0 0 0 0 0 0 0 0.4619 -2.7852 -4.6149 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 M END > 643774 > K $$$$ 643812 1016 111283D 643812 48 49 0 1 V2000 5.4853 -0.2135 -5.6261 C 0 0 0 0 0 0 0 0 0 5.5340 0.0324 -6.9891 C 0 0 0 0 0 0 0 0 0 5.0951 1.2487 -7.5425 C 0 0 0 0 0 0 0 0 0 4.6039 2.2064 -6.6403 C 0 0 0 0 0 0 0 0 0 4.5415 1.9420 -5.2818 C 0 0 0 0 0 0 0 0 0 4.9810 0.7391 -4.7530 C 0 0 0 0 0 0 0 0 0 5.0853 -0.7781 -1.1330 C 0 0 0 0 0 0 0 0 0 4.5137 0.1894 -0.3093 C 0 0 0 0 0 0 0 0 0 4.3723 -0.0464 1.0519 C 0 0 0 0 0 0 0 0 0 4.8045 -1.2561 1.5736 C 0 0 0 0 0 0 0 0 0 5.4268 -2.2294 0.7809 C 0 0 0 0 0 0 0 0 0 5.5507 -1.9668 -0.5755 C 0 0 0 0 0 0 0 0 0 5.1378 -1.5675 -8.6366 C 0 0 0 0 0 0 0 0 0 6.0496 -1.0299 -7.6870 O 0 0 0 0 0 0 0 0 0 5.1402 1.5048 -8.9107 O 0 0 0 0 0 0 0 0 0 6.4224 1.2621 -9.4740 C 0 0 0 0 0 0 0 0 0 4.1344 3.4697 -6.8903 O 0 0 0 0 0 0 0 0 0 4.1019 3.8291 -8.2609 C 0 0 0 0 0 0 0 0 0 4.8786 0.5490 -3.2654 C 0 0 0 0 0 0 0 0 0 5.2130 -0.5838 -2.6247 C 0 0 0 0 0 0 0 0 0 4.6648 -1.6141 2.8905 O 0 0 0 0 0 0 0 0 0 5.5661 -0.9121 3.7392 C 0 0 0 0 0 0 0 0 0 5.9383 -3.4132 1.2303 O 0 0 0 0 0 0 0 0 0 4.9382 -3.8154 2.3601 P 0 0 0 0 0 0 0 0 0 5.9920 -4.0358 3.3558 O 0 0 0 0 0 0 0 0 0 4.6630 -4.2741 3.7954 O 0 0 0 0 0 0 0 0 0 3.4160 -3.9422 2.2758 O 0 0 0 0 0 0 0 0 0 5.8433 -1.1397 -5.2939 H 0 0 0 0 0 0 0 0 0 4.1491 2.6845 -4.6495 H 0 0 0 0 0 0 0 0 0 4.1792 1.1067 -0.6984 H 0 0 0 0 0 0 0 0 0 3.9425 0.6712 1.6871 H 0 0 0 0 0 0 0 0 0 6.0086 -2.6870 -1.1868 H 0 0 0 0 0 0 0 0 0 4.6662 -0.8093 -9.2504 H 0 0 0 0 0 0 0 0 0 5.6574 -2.2487 -9.2978 H 0 0 0 0 0 0 0 0 0 4.3738 -2.1247 -8.1123 H 0 0 0 0 0 0 0 0 0 7.1679 1.8715 -8.9811 H 0 0 0 0 0 0 0 0 0 6.7243 0.2276 -9.3975 H 0 0 0 0 0 0 0 0 0 6.4098 1.5229 -10.5235 H 0 0 0 0 0 0 0 0 0 3.4795 3.1597 -8.8399 H 0 0 0 0 0 0 0 0 0 3.7031 4.8297 -8.3450 H 0 0 0 0 0 0 0 0 0 5.0979 3.8164 -8.6789 H 0 0 0 0 0 0 0 0 0 4.5190 1.3733 -2.7256 H 0 0 0 0 0 0 0 0 0 5.5849 -1.3895 -3.1837 H 0 0 0 0 0 0 0 0 0 5.4087 0.1587 3.7148 H 0 0 0 0 0 0 0 0 0 5.4417 -1.2451 4.7620 H 0 0 0 0 0 0 0 0 0 6.5831 -1.1379 3.4479 H 0 0 0 0 0 0 0 0 0 4.3117 -3.3667 3.7376 H 0 0 0 0 0 0 0 0 0 3.5798 -4.8380 2.5815 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 28 1 0 0 0 0 2 14 1 0 0 0 0 2 3 1 0 0 0 0 3 15 1 0 0 0 0 3 4 2 0 0 0 0 4 17 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 21 1 0 0 0 0 10 11 2 0 0 0 0 11 23 1 0 0 0 0 11 12 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 25 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END > 643812 > K $$$$ 643826 1016 111283D 643826 97 96 1 2 V2000 8.6758 14.2268 4.7650 O 0 0 0 0 0 0 0 0 0 9.2827 15.4875 4.4427 C 0 0 0 0 0 0 0 0 0 10.7122 15.7307 4.9417 C 0 0 1 0 0 0 0 0 0 10.9234 15.5153 6.3858 N 0 0 0 0 0 0 0 0 0 11.8215 15.1884 4.0191 C 0 0 0 0 0 0 0 0 0 12.0916 13.8113 3.9793 O 0 0 0 0 0 0 0 0 0 7.2809 14.3346 5.0067 C 0 0 0 0 0 0 0 0 0 10.4664 16.5133 7.3500 C 0 0 0 0 0 0 0 0 0 10.9295 14.1336 6.8593 C 0 0 0 0 0 0 0 0 0 12.2510 13.9112 7.5918 C 0 0 0 0 0 0 0 0 0 12.3974 12.4945 8.1480 C 0 0 0 0 0 0 0 0 0 11.4957 12.2578 9.3574 C 0 0 0 0 0 0 0 0 0 11.6916 10.8572 9.9417 C 0 0 0 0 0 0 0 0 0 10.6805 10.5637 11.0554 C 0 0 0 0 0 0 0 0 0 10.8972 11.4808 12.2607 C 0 0 0 0 0 0 0 0 0 9.8935 11.2043 13.3796 C 0 0 0 0 0 0 0 0 0 10.0634 12.1506 14.5724 C 0 0 0 0 0 0 0 0 0 9.9317 13.6411 14.2425 C 0 0 0 0 0 0 0 0 0 8.5644 13.9996 13.6571 C 0 0 0 0 0 0 0 0 0 8.4751 15.5000 13.3744 C 0 0 0 0 0 0 0 0 0 7.0989 15.8674 12.8185 C 0 0 0 0 0 0 0 0 0 7.0107 17.3674 12.5344 C 0 0 0 0 0 0 0 0 0 5.6154 17.7220 12.0186 C 0 0 0 0 0 0 0 0 0 5.4938 19.2311 11.8045 C 0 0 0 0 0 0 0 0 0 4.0970 19.5853 11.2959 C 0 0 0 0 0 0 0 0 0 10.9938 13.0283 3.1602 P 0 0 0 0 0 0 0 0 0 10.4287 14.2843 2.3281 O 0 5 0 0 0 0 0 0 0 11.9364 12.4338 4.1174 O 0 0 0 0 0 0 0 0 0 10.2980 11.6567 2.7381 O 0 0 0 0 0 0 0 0 0 8.9679 12.0739 2.6556 C 0 0 0 0 0 0 0 0 0 8.6479 12.6434 1.2849 C 0 0 0 0 0 0 0 0 0 9.3339 11.9613 0.1836 N 0 3 0 0 0 0 0 0 0 3.9863 21.0920 11.0675 C 0 0 0 0 0 0 0 0 0 10.7120 12.4123 -0.0259 C 0 0 0 0 0 0 0 0 0 9.3391 10.4947 0.2864 C 0 0 0 0 0 0 0 0 0 8.5646 12.2919 -1.0262 C 0 0 0 0 0 0 0 0 0 9.2416 15.6849 3.3803 H 0 0 0 0 0 0 0 0 0 8.7274 16.2810 4.9321 H 0 0 0 0 0 0 0 0 0 10.8484 16.7932 4.8044 H 0 0 0 0 0 0 0 0 0 11.7502 15.6320 3.0280 H 0 0 0 0 0 0 0 0 0 12.7141 15.6034 4.4541 H 0 0 0 0 0 0 0 0 0 6.7427 14.5612 4.1031 H 0 0 0 0 0 0 0 0 0 6.9347 13.3854 5.3937 H 0 0 0 0 0 0 0 0 0 7.0615 15.0927 5.7515 H 0 0 0 0 0 0 0 0 0 10.9558 16.3515 8.2986 H 0 0 0 0 0 0 0 0 0 10.7155 17.5074 7.0109 H 0 0 0 0 0 0 0 0 0 9.3980 16.4390 7.4997 H 0 0 0 0 0 0 0 0 0 10.0838 13.9426 7.5052 H 0 0 0 0 0 0 0 0 0 10.8843 13.4433 6.0286 H 0 0 0 0 0 0 0 0 0 13.0292 14.0753 6.8555 H 0 0 0 0 0 0 0 0 0 12.3758 14.6361 8.3824 H 0 0 0 0 0 0 0 0 0 12.1671 11.7888 7.3598 H 0 0 0 0 0 0 0 0 0 13.4288 12.3505 8.4444 H 0 0 0 0 0 0 0 0 0 11.7340 13.0035 10.1044 H 0 0 0 0 0 0 0 0 0 10.4614 12.3774 9.0652 H 0 0 0 0 0 0 0 0 0 11.5600 10.1295 9.1514 H 0 0 0 0 0 0 0 0 0 12.6977 10.7593 10.3255 H 0 0 0 0 0 0 0 0 0 9.6799 10.7012 10.6669 H 0 0 0 0 0 0 0 0 0 10.7860 9.5331 11.3639 H 0 0 0 0 0 0 0 0 0 11.9060 11.3595 12.6305 H 0 0 0 0 0 0 0 0 0 10.7658 12.5024 11.9362 H 0 0 0 0 0 0 0 0 0 8.8908 11.3041 12.9865 H 0 0 0 0 0 0 0 0 0 10.0203 10.1853 13.7211 H 0 0 0 0 0 0 0 0 0 9.3170 11.8978 15.3135 H 0 0 0 0 0 0 0 0 0 11.0373 11.9816 15.0148 H 0 0 0 0 0 0 0 0 0 10.0793 14.2066 15.1542 H 0 0 0 0 0 0 0 0 0 10.7096 13.9311 13.5505 H 0 0 0 0 0 0 0 0 0 8.4161 13.4631 12.7302 H 0 0 0 0 0 0 0 0 0 7.7896 13.7116 14.3565 H 0 0 0 0 0 0 0 0 0 8.6501 16.0489 14.2905 H 0 0 0 0 0 0 0 0 0 9.2353 15.7706 12.6537 H 0 0 0 0 0 0 0 0 0 6.9204 15.3190 11.9028 H 0 0 0 0 0 0 0 0 0 6.3392 15.5963 13.5396 H 0 0 0 0 0 0 0 0 0 7.2078 17.9185 13.4462 H 0 0 0 0 0 0 0 0 0 7.7492 17.6425 11.7953 H 0 0 0 0 0 0 0 0 0 5.4350 17.2061 11.0858 H 0 0 0 0 0 0 0 0 0 4.8744 17.4045 12.7402 H 0 0 0 0 0 0 0 0 0 5.6733 19.7421 12.7405 H 0 0 0 0 0 0 0 0 0 6.2342 19.5543 11.0850 H 0 0 0 0 0 0 0 0 0 3.9045 19.0665 10.3667 H 0 0 0 0 0 0 0 0 0 3.3578 19.2766 12.0236 H 0 0 0 0 0 0 0 0 0 8.3970 11.1578 2.7508 H 0 0 0 0 0 0 0 0 0 8.5908 12.7066 3.4455 H 0 0 0 0 0 0 0 0 0 7.5773 12.5721 1.1990 H 0 0 0 0 0 0 0 0 0 8.8839 13.6978 1.2548 H 0 0 0 0 0 0 0 0 0 2.9949 21.3352 10.7125 H 0 0 0 0 0 0 0 0 0 4.1671 21.6232 11.9913 H 0 0 0 0 0 0 0 0 0 4.7097 21.4094 10.3300 H 0 0 0 0 0 0 0 0 0 11.3517 12.0462 0.7596 H 0 0 0 0 0 0 0 0 0 11.1083 12.0471 -0.9627 H 0 0 0 0 0 0 0 0 0 10.7612 13.4948 -0.0165 H 0 0 0 0 0 0 0 0 0 9.9898 10.1815 1.0928 H 0 0 0 0 0 0 0 0 0 8.3496 10.1109 0.4871 H 0 0 0 0 0 0 0 0 0 9.7070 10.0360 -0.6211 H 0 0 0 0 0 0 0 0 0 8.5564 13.3616 -1.1874 H 0 0 0 0 0 0 0 0 0 8.9788 11.8218 -1.9064 H 0 0 0 0 0 0 0 0 0 7.5389 11.9588 -0.9324 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 6 0 0 0 3 39 1 0 0 0 0 4 9 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 26 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 16 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 17 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 18 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 19 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 20 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 21 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 22 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 23 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 24 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 25 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 33 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 32 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 34 89 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 35 92 1 0 0 0 0 35 93 1 0 0 0 0 35 94 1 0 0 0 0 36 95 1 0 0 0 0 36 96 1 0 0 0 0 36 97 1 0 0 0 0 M CHG 2 27 -1 32 1 M END > 643826 > K $$$$ 643834 1016 111283D 643834 167167 1 1 V2000 -7.2838 5.8046 1.9546 C 0 0 0 0 0 0 0 0 0 -7.1542 4.2979 1.7399 C 0 0 0 0 0 0 0 0 0 -6.1952 3.6747 2.7554 C 0 0 0 0 0 0 0 0 0 -6.0561 2.1684 2.5344 C 0 0 0 0 0 0 0 0 0 -3.0439 -3.1941 11.6603 C 0 0 0 0 0 0 0 0 0 -3.5548 -2.8932 13.0693 C 0 0 0 0 0 0 0 0 0 -2.6067 -3.4594 14.1252 C 0 0 0 0 0 0 0 0 0 -3.1290 -3.1710 15.5323 C 0 0 0 0 0 0 0 0 0 -2.1746 -3.7425 16.5794 C 0 0 0 0 0 0 0 0 0 -2.6149 -3.4402 17.9774 C 0 0 0 0 0 0 0 0 0 -3.5079 -2.6538 18.1904 O 0 0 0 0 0 0 0 0 0 -1.9795 -4.0743 18.9948 O 0 0 0 0 0 0 0 0 0 -2.4120 -3.6554 20.2727 C 0 0 0 0 0 0 0 0 0 -5.1153 1.5818 3.5490 C 0 0 0 0 0 0 0 0 0 -5.5260 0.6554 4.4253 C 0 0 0 0 0 0 0 0 0 -4.5704 0.0820 5.4311 C 0 0 0 0 0 0 0 0 0 -4.9797 -0.8468 6.3045 C 0 0 0 0 0 0 0 0 0 -4.0241 -1.4196 7.3098 C 0 0 0 0 0 0 0 0 0 -4.4334 -2.3516 8.1801 C 0 0 0 0 0 0 0 0 0 -3.4926 -2.9353 9.1953 C 0 0 0 0 0 0 0 0 0 -3.9894 -2.6183 10.6056 C 0 0 0 0 0 0 0 0 0 17.6489 -13.2468 19.5930 C 0 0 0 0 0 0 0 0 0 17.7569 -11.9872 20.4502 C 0 0 0 0 0 0 0 0 0 16.6770 -10.9708 20.0770 C 0 0 0 0 0 0 0 0 0 16.7933 -9.7051 20.9262 C 0 0 0 0 0 0 0 0 0 7.2450 -4.2841 21.7740 C 0 0 0 0 0 0 0 0 0 5.8661 -4.9251 21.9406 C 0 0 0 0 0 0 0 0 0 4.7506 -3.9612 21.5332 C 0 0 0 0 0 0 0 0 0 3.3785 -4.6197 21.6861 C 0 0 0 0 0 0 0 0 0 2.2584 -3.6695 21.2591 C 0 0 0 0 0 0 0 0 0 0.9090 -4.3161 21.3332 C 0 0 0 0 0 0 0 0 0 0.8115 -5.4831 21.6322 O 0 0 0 0 0 0 0 0 0 -0.1867 -3.5610 21.0546 O 0 0 0 0 0 0 0 0 0 -1.4198 -4.2188 21.2846 C 0 0 1 0 0 0 0 0 0 15.7171 -8.7283 20.5443 C 0 0 0 0 0 0 0 0 0 14.7905 -8.3343 21.4279 C 0 0 0 0 0 0 0 0 0 13.7232 -7.3574 21.0275 C 0 0 0 0 0 0 0 0 0 12.7999 -6.9601 21.9122 C 0 0 0 0 0 0 0 0 0 11.7331 -5.9833 21.5120 C 0 0 0 0 0 0 0 0 0 10.8123 -5.5826 22.3984 C 0 0 0 0 0 0 0 0 0 9.7353 -4.6070 22.0160 C 0 0 0 0 0 0 0 0 0 8.3592 -5.2567 22.1662 C 0 0 0 0 0 0 0 0 0 0.6120 -5.4374 30.8654 C 0 0 0 0 0 0 0 0 0 -0.3819 -4.8714 29.8505 C 0 0 0 0 0 0 0 0 0 0.0964 -5.1457 28.4246 C 0 0 0 0 0 0 0 0 0 -0.8728 -4.5757 27.3885 C 0 0 0 0 0 0 0 0 0 -0.3685 -4.8601 25.9730 C 0 0 0 0 0 0 0 0 0 -1.2694 -4.2945 24.9186 C 0 0 0 0 0 0 0 0 0 -2.2345 -3.6333 25.2224 O 0 0 0 0 0 0 0 0 0 -0.9740 -4.5424 23.6163 O 0 0 0 0 0 0 0 0 0 -1.8855 -3.9474 22.7151 C 0 0 0 0 0 0 0 0 0 -0.2409 -6.0703 36.8893 C 0 0 1 0 0 0 0 0 0 0.1932 -6.3956 35.4830 C 0 0 0 0 0 0 0 0 0 0.6969 -5.4343 34.6967 C 0 0 0 0 0 0 0 0 0 1.1675 -5.7236 33.3018 C 0 0 0 0 0 0 0 0 0 0.1535 -5.1731 32.2992 C 0 0 0 0 0 0 0 0 0 -1.6094 -6.6305 37.1445 C 0 0 0 0 0 0 0 0 0 -1.8125 -7.7335 37.8772 C 0 0 0 0 0 0 0 0 0 -0.6945 -8.5477 38.4864 C 0 0 1 0 0 0 0 0 0 -0.9122 -10.0492 38.2267 C 0 0 0 0 0 0 0 0 0 -2.2156 -10.6069 38.8146 C 0 0 0 0 0 0 0 0 0 -2.3674 -12.1102 38.5699 C 0 0 0 0 0 0 0 0 0 -3.7129 -12.6192 39.0866 C 0 0 0 0 0 0 0 0 0 0.7124 -8.1032 38.0287 C 0 0 1 0 0 0 0 0 0 0.7898 -6.5738 37.9043 C 0 0 1 0 0 0 0 0 0 2.1260 -6.0288 37.4770 C 0 0 0 0 0 0 0 0 0 2.7898 -6.6025 36.6025 O 0 0 0 0 0 0 0 0 0 1.7660 -8.5627 38.9980 C 0 0 0 0 0 0 0 0 0 1.4698 -8.8486 40.1662 O 0 0 0 0 0 0 0 0 0 2.6058 -4.8975 38.0449 O 0 0 0 0 0 0 0 0 0 3.0550 -8.6641 38.5984 O 0 0 0 0 0 0 0 0 0 -6.3210 6.2794 1.8297 H 0 0 0 0 0 0 0 0 0 -7.9747 6.2136 1.2314 H 0 0 0 0 0 0 0 0 0 -7.6549 6.0063 2.9494 H 0 0 0 0 0 0 0 0 0 -8.1303 3.8450 1.8422 H 0 0 0 0 0 0 0 0 0 -6.7880 4.1178 0.7391 H 0 0 0 0 0 0 0 0 0 -5.2238 4.1390 2.6584 H 0 0 0 0 0 0 0 0 0 -6.5709 3.8533 3.7533 H 0 0 0 0 0 0 0 0 0 -7.0294 1.7035 2.6078 H 0 0 0 0 0 0 0 0 0 -5.6578 1.9832 1.5471 H 0 0 0 0 0 0 0 0 0 -2.0628 -2.7578 11.5341 H 0 0 0 0 0 0 0 0 0 -2.9723 -4.2648 11.5284 H 0 0 0 0 0 0 0 0 0 -3.6343 -1.8230 13.2005 H 0 0 0 0 0 0 0 0 0 -4.5326 -3.3366 13.1952 H 0 0 0 0 0 0 0 0 0 -2.5170 -4.5282 13.9895 H 0 0 0 0 0 0 0 0 0 -1.6318 -3.0072 14.0076 H 0 0 0 0 0 0 0 0 0 -3.2127 -2.1023 15.6729 H 0 0 0 0 0 0 0 0 0 -4.1047 -3.6195 15.6579 H 0 0 0 0 0 0 0 0 0 -2.1087 -4.8149 16.4685 H 0 0 0 0 0 0 0 0 0 -1.1917 -3.3151 16.4471 H 0 0 0 0 0 0 0 0 0 -2.4126 -2.5766 20.3563 H 0 0 0 0 0 0 0 0 0 -3.4052 -4.0363 20.4676 H 0 0 0 0 0 0 0 0 0 -4.1161 1.9081 3.5678 H 0 0 0 0 0 0 0 0 0 -6.5239 0.3248 4.4113 H 0 0 0 0 0 0 0 0 0 -3.5730 0.4137 5.4485 H 0 0 0 0 0 0 0 0 0 -5.9769 -1.1785 6.2869 H 0 0 0 0 0 0 0 0 0 -3.0279 -1.0848 7.3284 H 0 0 0 0 0 0 0 0 0 -5.4302 -2.6843 8.1573 H 0 0 0 0 0 0 0 0 0 -3.4533 -4.0064 9.0578 H 0 0 0 0 0 0 0 0 0 -2.4975 -2.5323 9.0670 H 0 0 0 0 0 0 0 0 0 -4.9749 -3.0427 10.7398 H 0 0 0 0 0 0 0 0 0 -4.0494 -1.5456 10.7295 H 0 0 0 0 0 0 0 0 0 17.7808 -12.9957 18.5501 H 0 0 0 0 0 0 0 0 0 18.4160 -13.9491 19.8862 H 0 0 0 0 0 0 0 0 0 16.6800 -13.7057 19.7299 H 0 0 0 0 0 0 0 0 0 17.6489 -12.2614 21.4900 H 0 0 0 0 0 0 0 0 0 18.7333 -11.5474 20.3037 H 0 0 0 0 0 0 0 0 0 16.7800 -10.7090 19.0334 H 0 0 0 0 0 0 0 0 0 15.7036 -11.4143 20.2329 H 0 0 0 0 0 0 0 0 0 16.7134 -9.9661 21.9723 H 0 0 0 0 0 0 0 0 0 17.7552 -9.2427 20.7573 H 0 0 0 0 0 0 0 0 0 7.3795 -3.9919 20.7419 H 0 0 0 0 0 0 0 0 0 7.3056 -3.4038 22.3987 H 0 0 0 0 0 0 0 0 0 5.8105 -5.8110 21.3237 H 0 0 0 0 0 0 0 0 0 5.7291 -5.2091 22.9745 H 0 0 0 0 0 0 0 0 0 4.7952 -3.0775 22.1542 H 0 0 0 0 0 0 0 0 0 4.8908 -3.6722 20.5009 H 0 0 0 0 0 0 0 0 0 3.3400 -5.5071 21.0696 H 0 0 0 0 0 0 0 0 0 3.2271 -4.9052 22.7179 H 0 0 0 0 0 0 0 0 0 2.2535 -2.8001 21.9001 H 0 0 0 0 0 0 0 0 0 2.4176 -3.3537 20.2389 H 0 0 0 0 0 0 0 0 0 -1.3638 -5.2873 21.1236 H 0 0 0 0 0 0 0 0 0 15.6951 -8.3496 19.5638 H 0 0 0 0 0 0 0 0 0 14.8076 -8.7096 22.4098 H 0 0 0 0 0 0 0 0 0 13.7027 -6.9838 20.0451 H 0 0 0 0 0 0 0 0 0 12.8212 -7.3342 22.8942 H 0 0 0 0 0 0 0 0 0 11.7119 -5.6130 20.5285 H 0 0 0 0 0 0 0 0 0 10.8387 -5.9548 23.3809 H 0 0 0 0 0 0 0 0 0 9.8018 -3.7463 22.6662 H 0 0 0 0 0 0 0 0 0 9.8671 -4.2796 20.9941 H 0 0 0 0 0 0 0 0 0 8.2212 -5.5626 23.1942 H 0 0 0 0 0 0 0 0 0 8.3089 -6.1307 21.5312 H 0 0 0 0 0 0 0 0 0 0.7062 -6.5040 30.7165 H 0 0 0 0 0 0 0 0 0 1.5773 -4.9751 30.7125 H 0 0 0 0 0 0 0 0 0 -1.3487 -5.3314 29.9990 H 0 0 0 0 0 0 0 0 0 -0.4737 -3.8044 29.9975 H 0 0 0 0 0 0 0 0 0 1.0682 -4.6929 28.2853 H 0 0 0 0 0 0 0 0 0 0.1834 -6.2135 28.2796 H 0 0 0 0 0 0 0 0 0 -1.8471 -5.0265 27.5171 H 0 0 0 0 0 0 0 0 0 -0.9600 -3.5070 27.5273 H 0 0 0 0 0 0 0 0 0 0.6099 -4.4225 25.8413 H 0 0 0 0 0 0 0 0 0 -0.2985 -5.9267 25.8188 H 0 0 0 0 0 0 0 0 0 -1.9238 -2.8775 22.8681 H 0 0 0 0 0 0 0 0 0 -2.8721 -4.3660 22.8595 H 0 0 0 0 0 0 0 0 0 -0.3102 -4.9972 37.0008 H 0 0 0 0 0 0 0 0 0 0.1068 -7.3797 35.1236 H 0 0 0 0 0 0 0 0 0 0.7668 -4.4496 35.0578 H 0 0 0 0 0 0 0 0 0 2.1220 -5.2387 33.1536 H 0 0 0 0 0 0 0 0 0 1.2921 -6.7873 33.1543 H 0 0 0 0 0 0 0 0 0 0.0468 -4.1075 32.4491 H 0 0 0 0 0 0 0 0 0 -0.8040 -5.6481 32.4624 H 0 0 0 0 0 0 0 0 0 -2.4398 -6.1374 36.7309 H 0 0 0 0 0 0 0 0 0 -2.8053 -8.0357 38.0333 H 0 0 0 0 0 0 0 0 0 -0.7636 -8.3809 39.5525 H 0 0 0 0 0 0 0 0 0 -0.9089 -10.2250 37.1597 H 0 0 0 0 0 0 0 0 0 -0.0916 -10.6007 38.6644 H 0 0 0 0 0 0 0 0 0 -2.2359 -10.4195 39.8790 H 0 0 0 0 0 0 0 0 0 -3.0614 -10.1158 38.3571 H 0 0 0 0 0 0 0 0 0 -2.3074 -12.3119 37.5095 H 0 0 0 0 0 0 0 0 0 -1.5725 -12.6415 39.0739 H 0 0 0 0 0 0 0 0 0 -4.5207 -12.1120 38.5784 H 0 0 0 0 0 0 0 0 0 -3.7955 -13.6803 38.9002 H 0 0 0 0 0 0 0 0 0 -3.7937 -12.4407 40.1492 H 0 0 0 0 0 0 0 0 0 0.9308 -8.5424 37.0653 H 0 0 0 0 0 0 0 0 0 0.5605 -6.1487 38.8710 H 0 0 0 0 0 0 0 0 0 3.4611 -4.7406 37.6611 H 0 0 0 0 0 0 0 0 0 3.5542 -8.9880 39.3394 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 72 1 0 0 0 0 1 73 1 0 0 0 0 1 74 1 0 0 0 0 2 3 1 0 0 0 0 2 75 1 0 0 0 0 2 76 1 0 0 0 0 3 4 1 0 0 0 0 3 77 1 0 0 0 0 3 78 1 0 0 0 0 4 14 1 0 0 0 0 4 79 1 0 0 0 0 4 80 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 81 1 0 0 0 0 5 82 1 0 0 0 0 6 7 1 0 0 0 0 6 83 1 0 0 0 0 6 84 1 0 0 0 0 7 8 1 0 0 0 0 7 85 1 0 0 0 0 7 86 1 0 0 0 0 8 9 1 0 0 0 0 8 87 1 0 0 0 0 8 88 1 0 0 0 0 9 10 1 0 0 0 0 9 89 1 0 0 0 0 9 90 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 13 34 1 0 0 0 0 13 91 1 0 0 0 0 13 92 1 0 0 0 0 14 15 2 0 0 0 0 14 93 1 0 0 0 0 15 16 1 0 0 0 0 15 94 1 0 0 0 0 16 17 2 0 0 0 0 16 95 1 0 0 0 0 17 18 1 0 0 0 0 17 96 1 0 0 0 0 18 19 2 0 0 0 0 18 97 1 0 0 0 0 19 20 1 0 0 0 0 19 98 1 0 0 0 0 20 21 1 0 0 0 0 20 99 1 0 0 0 0 20100 1 0 0 0 0 21101 1 0 0 0 0 21102 1 0 0 0 0 22 23 1 0 0 0 0 22103 1 0 0 0 0 22104 1 0 0 0 0 22105 1 0 0 0 0 23 24 1 0 0 0 0 23106 1 0 0 0 0 23107 1 0 0 0 0 24 25 1 0 0 0 0 24108 1 0 0 0 0 24109 1 0 0 0 0 25 35 1 0 0 0 0 25110 1 0 0 0 0 25111 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26112 1 0 0 0 0 26113 1 0 0 0 0 27 28 1 0 0 0 0 27114 1 0 0 0 0 27115 1 0 0 0 0 28 29 1 0 0 0 0 28116 1 0 0 0 0 28117 1 0 0 0 0 29 30 1 0 0 0 0 29118 1 0 0 0 0 29119 1 0 0 0 0 30 31 1 0 0 0 0 30120 1 0 0 0 0 30121 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 51 1 1 0 0 0 34122 1 6 0 0 0 35 36 2 0 0 0 0 35123 1 0 0 0 0 36 37 1 0 0 0 0 36124 1 0 0 0 0 37 38 2 0 0 0 0 37125 1 0 0 0 0 38 39 1 0 0 0 0 38126 1 0 0 0 0 39 40 2 0 0 0 0 39127 1 0 0 0 0 40 41 1 0 0 0 0 40128 1 0 0 0 0 41 42 1 0 0 0 0 41129 1 0 0 0 0 41130 1 0 0 0 0 42131 1 0 0 0 0 42132 1 0 0 0 0 43 44 1 0 0 0 0 43 56 1 0 0 0 0 43133 1 0 0 0 0 43134 1 0 0 0 0 44 45 1 0 0 0 0 44135 1 0 0 0 0 44136 1 0 0 0 0 45 46 1 0 0 0 0 45137 1 0 0 0 0 45138 1 0 0 0 0 46 47 1 0 0 0 0 46139 1 0 0 0 0 46140 1 0 0 0 0 47 48 1 0 0 0 0 47141 1 0 0 0 0 47142 1 0 0 0 0 48 50 1 0 0 0 0 48 49 2 0 0 0 0 50 51 1 0 0 0 0 51143 1 0 0 0 0 51144 1 0 0 0 0 52 65 1 1 0 0 0 52 57 1 0 0 0 0 52 53 1 6 0 0 0 52145 1 0 0 0 0 53 54 2 0 0 0 0 53146 1 0 0 0 0 54 55 1 0 0 0 0 54147 1 0 0 0 0 55 56 1 0 0 0 0 55148 1 0 0 0 0 55149 1 0 0 0 0 56150 1 0 0 0 0 56151 1 0 0 0 0 57 58 2 0 0 0 0 57152 1 0 0 0 0 58 59 1 0 0 0 0 58153 1 0 0 0 0 59 64 1 6 0 0 0 59 60 1 0 0 0 0 59154 1 1 0 0 0 60 61 1 0 0 0 0 60155 1 0 0 0 0 60156 1 0 0 0 0 61 62 1 0 0 0 0 61157 1 0 0 0 0 61158 1 0 0 0 0 62 63 1 0 0 0 0 62159 1 0 0 0 0 62160 1 0 0 0 0 63161 1 0 0 0 0 63162 1 0 0 0 0 63163 1 0 0 0 0 64 68 1 1 0 0 0 64 65 1 0 0 0 0 64164 1 6 0 0 0 65 66 1 6 0 0 0 65165 1 1 0 0 0 66 70 1 0 0 0 0 66 67 2 0 0 0 0 68 71 1 0 0 0 0 68 69 2 0 0 0 0 70166 1 0 0 0 0 71167 1 0 0 0 0 M END > 643834 > K $$$$ 643910 1016 111283D 643910 35 36 1 1 V2000 -1.1758 -5.5144 -0.8963 C 0 0 0 0 0 0 0 0 0 -0.1201 -4.7461 -0.4315 C 0 0 0 0 0 0 0 0 0 0.3771 -4.9542 0.8453 C 0 0 0 0 0 0 0 0 0 -0.1789 -5.9304 1.6576 C 0 0 0 0 0 0 0 0 0 1.5241 -4.1191 1.3501 C 0 0 1 0 0 0 0 0 0 2.6975 -4.4055 0.5167 N 0 0 0 0 0 0 0 0 0 3.3056 -3.3965 -0.1549 C 0 0 0 0 0 0 0 0 0 4.6373 -3.7113 -1.1020 S 0 0 0 0 0 0 0 0 0 2.8370 -2.1329 -0.0612 N 0 0 0 0 0 0 0 0 0 1.7539 -1.7646 0.6854 C 0 0 0 0 0 0 0 0 0 1.0680 -2.6791 1.3956 C 0 0 0 0 0 0 0 0 0 1.3286 -0.3190 0.7105 C 0 0 0 0 0 0 0 0 0 -0.0703 -2.2941 2.1839 C 0 0 0 0 0 0 0 0 0 -0.1618 -2.6742 3.3314 O 0 0 0 0 0 0 0 0 0 -1.0261 -1.5085 1.6393 O 0 0 0 0 0 0 0 0 0 -2.1759 -1.1425 2.4277 C 0 0 0 0 0 0 0 0 0 -3.1037 -0.2549 1.5902 C 0 0 0 0 0 0 0 0 0 -1.2343 -6.6982 1.1922 C 0 0 0 0 0 0 0 0 0 -1.7326 -6.4906 -0.0848 C 0 0 0 0 0 0 0 0 0 -1.5637 -5.3514 -1.8823 H 0 0 0 0 0 0 0 0 0 0.3116 -3.9914 -1.0590 H 0 0 0 0 0 0 0 0 0 0.2075 -6.0908 2.6449 H 0 0 0 0 0 0 0 0 0 1.7439 -4.4345 2.3671 H 0 0 0 0 0 0 0 0 0 3.0428 -5.3122 0.4422 H 0 0 0 0 0 0 0 0 0 3.3039 -1.4445 -0.5582 H 0 0 0 0 0 0 0 0 0 1.9960 0.2668 0.0824 H 0 0 0 0 0 0 0 0 0 0.3102 -0.2344 0.3358 H 0 0 0 0 0 0 0 0 0 1.3711 0.0538 1.7324 H 0 0 0 0 0 0 0 0 0 -2.7163 -2.0373 2.7333 H 0 0 0 0 0 0 0 0 0 -1.8573 -0.5932 3.3125 H 0 0 0 0 0 0 0 0 0 -3.9738 0.0256 2.1815 H 0 0 0 0 0 0 0 0 0 -2.5684 0.6426 1.2855 H 0 0 0 0 0 0 0 0 0 -3.4274 -0.8015 0.7064 H 0 0 0 0 0 0 0 0 0 -1.6652 -7.4529 1.8200 H 0 0 0 0 0 0 0 0 0 -2.5490 -7.0853 -0.4449 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 5 1 0 0 0 0 3 4 2 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 6 0 0 0 5 11 1 1 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 643910 > K $$$$ 643915 1016 111283D 643915 32 34 0 1 V2000 -0.0167 1.3804 0.0096 C 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 1.2037 -0.6864 -0.0125 C 0 0 0 0 0 0 0 0 0 2.4024 0.0069 -0.0190 C 0 0 0 0 0 0 0 0 0 2.4014 1.3988 -0.0112 C 0 0 0 0 0 0 0 0 0 1.1799 2.0923 0.0020 C 0 0 0 0 0 0 0 0 0 1.1434 3.5784 0.0076 C 0 0 0 0 0 0 0 0 0 0.0908 4.1839 0.0352 O 0 0 0 0 0 0 0 0 0 2.4410 4.2914 -0.0213 C 0 0 0 0 0 0 0 0 0 3.6508 3.5983 -0.0342 C 0 0 0 0 0 0 0 0 0 3.6977 2.1281 -0.0182 C 0 0 0 0 0 0 0 0 0 4.7567 1.5313 -0.0129 O 0 0 0 0 0 0 0 0 0 2.7332 5.5898 -0.0396 N 0 0 0 0 0 0 0 0 0 4.0353 5.7254 -0.0624 C 0 0 0 0 0 0 0 0 0 4.6182 4.5162 -0.0590 O 0 0 0 0 0 0 0 0 0 4.7692 7.0413 -0.0888 C 0 0 0 0 0 0 0 0 0 5.0412 7.5025 1.3444 C 0 0 0 0 0 0 0 0 0 6.0967 6.8700 -0.8300 C 0 0 0 0 0 0 0 0 0 3.9150 8.0874 -0.8078 C 0 0 0 0 0 0 0 0 0 -0.9591 1.9079 0.0170 H 0 0 0 0 0 0 0 0 0 -0.9276 -0.5538 0.0078 H 0 0 0 0 0 0 0 0 0 1.2080 -1.7664 -0.0185 H 0 0 0 0 0 0 0 0 0 3.3381 -0.5323 -0.0297 H 0 0 0 0 0 0 0 0 0 5.6497 6.7573 1.8566 H 0 0 0 0 0 0 0 0 0 5.5721 8.4543 1.3253 H 0 0 0 0 0 0 0 0 0 4.0954 7.6245 1.8725 H 0 0 0 0 0 0 0 0 0 6.6276 7.8218 -0.8491 H 0 0 0 0 0 0 0 0 0 6.7053 6.1248 -0.3178 H 0 0 0 0 0 0 0 0 0 5.9030 6.5415 -1.8511 H 0 0 0 0 0 0 0 0 0 3.7213 7.7588 -1.8289 H 0 0 0 0 0 0 0 0 0 2.9693 8.2094 -0.2798 H 0 0 0 0 0 0 0 0 0 4.4459 9.0392 -0.8269 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > 643915 > K $$$$ 644735 1016 111283D 644735 42 44 1 2 V2000 1.5499 -5.9601 -4.3080 N 0 3 0 0 0 0 0 0 0 0.6406 -6.5920 -3.5263 C 0 0 0 0 0 0 0 0 0 -0.3223 -5.8271 -2.8805 C 0 0 0 0 0 0 0 0 0 -1.2729 -6.4423 -2.0773 C 0 0 0 0 0 0 0 0 0 -1.2539 -7.8258 -1.9211 C 0 0 0 0 0 0 0 0 0 -0.2881 -8.5909 -2.5602 C 0 0 0 0 0 0 0 0 0 0.6596 -7.9727 -3.3659 C 0 0 0 0 0 0 0 0 0 -2.1849 -8.4175 -1.1417 N 0 0 0 0 0 0 0 0 0 -3.1612 -7.6975 -0.5398 C 0 0 0 0 0 0 0 0 0 -3.1819 -6.3143 -0.6867 C 0 0 0 0 0 0 0 0 0 -2.2236 -5.7165 -1.4398 N 0 0 0 0 0 0 0 0 0 -4.2434 -5.4796 -0.0352 C 0 0 1 0 0 0 0 0 0 -5.4253 -5.8759 -0.7177 N 0 3 0 0 0 0 0 0 0 -5.9040 -5.2056 -1.6575 O 0 0 0 0 0 0 0 0 0 -6.0482 -7.1097 -0.2680 O 0 5 0 0 0 0 0 0 0 -4.4888 -5.8181 1.4002 C 0 0 0 0 0 0 0 0 0 -3.9081 -6.7353 1.9367 O 0 0 0 0 0 0 0 0 0 -5.4801 -4.9825 2.1578 C 0 0 0 0 0 0 0 0 0 -5.7952 -3.9206 1.6742 O 0 0 0 0 0 0 0 0 0 -6.0061 -5.4056 3.3427 N 0 0 0 0 0 0 0 0 0 -6.7237 -4.6318 4.2159 C 0 0 0 0 0 0 0 0 0 -6.6319 -3.2417 4.2007 C 0 0 0 0 0 0 0 0 0 -7.3639 -2.4663 5.0902 C 0 0 0 0 0 0 0 0 0 -8.2002 -3.0762 6.0135 C 0 0 0 0 0 0 0 0 0 -8.2980 -4.4598 6.0408 C 0 0 0 0 0 0 0 0 0 -7.5670 -5.2371 5.1488 C 0 0 0 0 0 0 0 0 0 -7.7166 -6.7333 5.2236 C 0 0 0 0 0 0 0 0 0 2.4383 -6.5924 -4.9213 O 0 0 0 0 0 0 0 0 0 1.4721 -4.5091 -4.4225 O 0 5 0 0 0 0 0 0 0 -0.3279 -4.7833 -3.0031 H 0 0 0 0 0 0 0 0 0 -0.2783 -9.6340 -2.4324 H 0 0 0 0 0 0 0 0 0 1.3897 -8.5499 -3.8532 H 0 0 0 0 0 0 0 0 0 -3.8962 -8.1854 0.0342 H 0 0 0 0 0 0 0 0 0 -4.0523 -4.4265 -0.1589 H 0 0 0 0 0 0 0 0 0 -5.8537 -6.3365 3.5684 H 0 0 0 0 0 0 0 0 0 -6.0033 -2.7575 3.5152 H 0 0 0 0 0 0 0 0 0 -7.2850 -1.4189 5.0651 H 0 0 0 0 0 0 0 0 0 -8.7566 -2.4944 6.6887 H 0 0 0 0 0 0 0 0 0 -8.9319 -4.9174 6.7426 H 0 0 0 0 0 0 0 0 0 -6.8402 -7.1540 5.6950 H 0 0 0 0 0 0 0 0 0 -8.5866 -7.0026 5.8048 H 0 0 0 0 0 0 0 0 0 -7.8289 -7.1503 4.2335 H 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 28 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 11 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 12 16 1 1 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 26 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 4 1 1 13 1 15 -1 29 -1 M END > 644735 > K $$$$ 644794 1016 111283D 644794 50 53 1 1 V2000 4.5577 5.9799 -2.3306 C 0 0 1 0 0 0 0 0 0 5.5117 7.1207 -2.0731 C 0 0 0 0 0 0 0 0 0 5.4945 7.3545 -0.7132 C 0 0 0 0 0 0 0 0 0 4.5437 6.3864 -0.1092 C 0 0 0 0 0 0 0 0 0 4.3028 5.4096 -1.0221 O 0 0 0 0 0 0 0 0 0 6.3138 7.8881 -2.9112 C 0 0 0 0 0 0 0 0 0 7.1059 8.8901 -2.3590 C 0 0 0 0 0 0 0 0 0 7.0949 9.1208 -0.9877 C 0 0 0 0 0 0 0 0 0 6.2870 8.3529 -0.1542 C 0 0 0 0 0 0 0 0 0 4.0601 6.4586 0.9973 O 0 0 0 0 0 0 0 0 0 3.2509 6.5036 -2.9424 C 0 0 1 0 0 0 0 0 0 3.5620 7.3289 -4.1621 C 0 0 0 0 0 0 0 0 0 3.8271 6.7917 -5.2111 O 0 0 0 0 0 0 0 0 0 3.5471 8.8100 -4.0751 C 0 0 0 0 0 0 0 0 0 3.5333 9.4283 -2.8257 C 0 0 0 0 0 0 0 0 0 3.5489 9.5689 -5.2435 C 0 0 0 0 0 0 0 0 0 3.5334 10.9552 -5.1588 C 0 0 0 0 0 0 0 0 0 3.5174 11.5700 -3.9142 C 0 0 0 0 0 0 0 0 0 3.5188 10.8124 -2.7530 C 0 0 0 0 0 0 0 0 0 2.3827 5.3442 -3.3328 C 0 0 0 0 0 0 0 0 0 2.7880 4.2108 -3.2094 O 0 0 0 0 0 0 0 0 0 1.0127 5.5873 -3.8813 C 0 0 0 0 0 0 0 0 0 0.4631 6.6453 -3.6836 O 0 0 0 0 0 0 0 0 0 0.3960 4.6174 -4.5988 N 0 0 0 0 0 0 0 0 0 1.0847 3.4786 -4.9705 C 0 0 0 0 0 0 0 0 0 2.2371 3.5809 -5.7489 C 0 0 0 0 0 0 0 0 0 0.6317 2.2255 -4.5649 C 0 0 0 0 0 0 0 0 0 1.3252 1.0811 -4.9391 C 0 0 0 0 0 0 0 0 0 2.4691 1.1869 -5.7174 C 0 0 0 0 0 0 0 0 0 2.9256 2.4350 -6.1203 C 0 0 0 0 0 0 0 0 0 3.4972 13.3028 -3.8141 Cl 0 0 0 0 0 0 0 0 0 3.5032 11.5958 -1.2047 Cl 0 0 0 0 0 0 0 0 0 4.1699 2.5451 -6.9607 C 0 0 0 0 0 0 0 0 0 4.6814 1.2702 -7.2043 F 0 0 0 0 0 0 0 0 0 3.8571 3.1604 -8.1727 F 0 0 0 0 0 0 0 0 0 5.1214 3.3067 -6.2825 F 0 0 0 0 0 0 0 0 0 5.0107 5.2425 -2.9896 H 0 0 0 0 0 0 0 0 0 6.3241 7.7139 -3.9627 H 0 0 0 0 0 0 0 0 0 7.7272 9.4857 -2.9928 H 0 0 0 0 0 0 0 0 0 7.7085 9.8905 -0.5722 H 0 0 0 0 0 0 0 0 0 6.2841 8.5354 0.8978 H 0 0 0 0 0 0 0 0 0 2.7285 7.1143 -2.2103 H 0 0 0 0 0 0 0 0 0 3.5365 8.8493 -1.9256 H 0 0 0 0 0 0 0 0 0 3.5623 9.0968 -6.2044 H 0 0 0 0 0 0 0 0 0 3.5352 11.5449 -6.0498 H 0 0 0 0 0 0 0 0 0 -0.5365 4.7342 -4.8479 H 0 0 0 0 0 0 0 0 0 2.5917 4.5412 -6.0607 H 0 0 0 0 0 0 0 0 0 -0.2482 2.1414 -3.9633 H 0 0 0 0 0 0 0 0 0 0.9783 0.1200 -4.6273 H 0 0 0 0 0 0 0 0 0 3.0010 0.3056 -6.0065 H 0 0 0 0 0 0 0 0 0 1 5 1 1 0 0 0 1 2 1 0 0 0 0 1 11 1 6 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 11 20 1 6 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 19 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 31 1 0 0 0 0 18 19 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 M END > 644794 > K $$$$ 645033 1016 111283D 645033 40 43 0 1 V2000 1.5443 0.0393 0.6763 C 0 0 0 0 0 0 0 0 0 0.8184 -0.3666 -0.4068 N 0 0 0 0 0 0 0 0 0 0.1960 0.7656 -0.9231 N 0 0 0 0 0 0 0 0 0 0.5250 1.7959 -0.1976 N 0 0 0 0 0 0 0 0 0 1.3442 1.4046 0.7874 C 0 0 0 0 0 0 0 0 0 2.3776 -0.8112 1.5607 C 0 0 0 0 0 0 0 0 0 1.8295 -1.9527 2.1442 C 0 0 0 0 0 0 0 0 0 3.9311 -2.3998 3.2106 C 0 0 0 0 0 0 0 0 0 4.4806 -1.2680 2.6288 C 0 0 0 0 0 0 0 0 0 3.7079 -0.4709 1.8024 C 0 0 0 0 0 0 0 0 0 2.6104 -2.7439 2.9692 C 0 0 0 0 0 0 0 0 0 4.9051 -3.3954 4.2465 Cl 0 0 0 0 0 0 0 0 0 1.9308 2.2886 1.8231 C 0 0 0 0 0 0 0 0 0 1.9184 3.6516 1.6157 N 0 0 0 0 0 0 0 0 0 2.2412 4.5410 2.7350 C 0 0 0 0 0 0 0 0 0 3.4244 3.9253 3.4951 C 0 0 0 0 0 0 0 0 0 2.4305 1.7608 2.8815 N 0 0 0 0 0 0 0 0 0 0.7201 -1.6704 -0.9042 C 0 0 0 0 0 0 0 0 0 -0.4775 -2.1170 -1.4523 C 0 0 0 0 0 0 0 0 0 -0.5750 -3.4080 -1.9445 C 0 0 0 0 0 0 0 0 0 0.5213 -4.2531 -1.8902 C 0 0 0 0 0 0 0 0 0 0.3970 -5.8701 -2.5087 Cl 0 0 0 0 0 0 0 0 0 1.7169 -3.8131 -1.3453 C 0 0 0 0 0 0 0 0 0 1.8193 -2.5221 -0.8559 C 0 0 0 0 0 0 0 0 0 3.0292 2.5248 3.9686 C 0 0 0 0 0 0 0 0 0 0.8046 -2.2209 1.9575 H 0 0 0 0 0 0 0 0 0 5.5056 -1.0074 2.8206 H 0 0 0 0 0 0 0 0 0 4.1361 0.4063 1.3502 H 0 0 0 0 0 0 0 0 0 2.1919 -3.6246 3.4213 H 0 0 0 0 0 0 0 0 0 1.6989 4.0172 0.7409 H 0 0 0 0 0 0 0 0 0 2.5171 5.5267 2.3607 H 0 0 0 0 0 0 0 0 0 1.3813 4.6273 3.4002 H 0 0 0 0 0 0 0 0 0 4.2863 3.8559 2.8326 H 0 0 0 0 0 0 0 0 0 3.6708 4.5457 4.3551 H 0 0 0 0 0 0 0 0 0 -1.3284 -1.4609 -1.4936 H 0 0 0 0 0 0 0 0 0 -1.5007 -3.7529 -2.3681 H 0 0 0 0 0 0 0 0 0 2.5651 -4.4721 -1.3041 H 0 0 0 0 0 0 0 0 0 2.7487 -2.1786 -0.4380 H 0 0 0 0 0 0 0 0 0 3.9162 2.0073 4.3326 H 0 0 0 0 0 0 0 0 0 2.3087 2.6126 4.7813 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 5 2 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 25 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END > 645033 > K $$$$ 645547 1016 111283D 645547 42 43 0 1 V2000 10.7325 6.1541 2.9805 C 0 0 0 0 0 0 0 0 0 9.7957 5.9268 3.9748 C 0 0 0 0 0 0 0 0 0 8.8010 4.9796 3.7955 C 0 0 0 0 0 0 0 0 0 8.7384 4.2540 2.6212 C 0 0 0 0 0 0 0 0 0 9.6806 4.4793 1.6163 C 0 0 0 0 0 0 0 0 0 10.6805 5.4346 1.8015 C 0 0 0 0 0 0 0 0 0 9.6272 3.7061 0.3527 C 0 0 0 0 0 0 0 0 0 11.0405 3.4209 -0.5353 S 0 0 0 0 0 0 0 0 0 8.4380 3.2289 -0.0845 N 0 0 0 0 0 0 0 0 0 7.2833 3.9938 0.0756 C 0 0 0 0 0 0 0 0 0 7.3695 5.3787 0.1325 C 0 0 0 0 0 0 0 0 0 6.2111 6.1378 0.2927 C 0 0 0 0 0 0 0 0 0 4.9720 5.5035 0.3957 C 0 0 0 0 0 0 0 0 0 4.8946 4.1240 0.3382 C 0 0 0 0 0 0 0 0 0 6.0439 3.3704 0.1737 C 0 0 0 0 0 0 0 0 0 3.5259 6.4435 0.5960 Cl 0 0 0 0 0 0 0 0 0 6.2978 7.6146 0.3538 C 0 0 0 0 0 0 0 0 0 7.4456 8.1873 0.3052 N 0 0 0 0 0 0 0 0 0 7.5210 9.4181 0.3830 O 0 0 0 0 0 0 0 0 0 9.6045 9.7218 -0.8372 C 0 0 0 0 0 0 0 0 0 8.8164 10.0575 0.4310 C 0 0 0 0 0 0 0 0 0 8.6265 11.5741 0.5253 C 0 0 0 0 0 0 0 0 0 9.5895 9.5649 1.6567 C 0 0 0 0 0 0 0 0 0 11.5009 6.8951 3.1247 H 0 0 0 0 0 0 0 0 0 9.8408 6.4897 4.8923 H 0 0 0 0 0 0 0 0 0 8.0753 4.8081 4.5728 H 0 0 0 0 0 0 0 0 0 7.9642 3.5168 2.4843 H 0 0 0 0 0 0 0 0 0 11.4106 5.6131 1.0291 H 0 0 0 0 0 0 0 0 0 8.3891 2.3550 -0.5050 H 0 0 0 0 0 0 0 0 0 8.3293 5.8631 0.0524 H 0 0 0 0 0 0 0 0 0 3.9382 3.6348 0.4181 H 0 0 0 0 0 0 0 0 0 5.9780 2.2961 0.1253 H 0 0 0 0 0 0 0 0 0 5.3956 8.2004 0.4389 H 0 0 0 0 0 0 0 0 0 10.5783 10.2090 -0.8006 H 0 0 0 0 0 0 0 0 0 9.7404 8.6428 -0.9041 H 0 0 0 0 0 0 0 0 0 9.0547 10.0734 -1.7097 H 0 0 0 0 0 0 0 0 0 9.6005 12.0613 0.5618 H 0 0 0 0 0 0 0 0 0 8.0770 11.9256 -0.3474 H 0 0 0 0 0 0 0 0 0 8.0663 11.8140 1.4284 H 0 0 0 0 0 0 0 0 0 10.5633 10.0522 1.6931 H 0 0 0 0 0 0 0 0 0 9.0291 9.8050 2.5597 H 0 0 0 0 0 0 0 0 0 9.7254 8.4860 1.5895 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > 645547 > K $$$$ 645567 1016 111283D 645567 59 58 0 1 V2000 6.9201 7.8870 -12.5515 C 0 0 0 0 0 0 0 0 0 5.7035 7.4076 -13.3186 N 0 0 0 0 0 0 0 0 0 5.7364 7.3042 -14.7745 C 0 0 0 0 0 0 0 0 0 4.6429 6.6858 -12.6120 C 0 0 0 0 0 0 0 0 0 7.2896 8.7528 -11.0453 P 0 0 0 0 0 0 0 0 0 6.8289 9.9523 -10.3079 O 0 0 0 0 0 0 0 0 0 6.0559 9.5500 -11.6602 O 0 0 0 0 0 0 0 0 0 8.2809 8.9547 -9.8077 O 0 0 0 0 0 0 0 0 0 6.4030 10.7642 -12.2978 C 0 0 0 0 0 0 0 0 0 7.1724 10.5988 -13.5974 C 0 0 0 0 0 0 0 0 0 5.0029 11.2151 -12.5917 C 0 0 0 0 0 0 0 0 0 9.6047 9.0698 -10.1831 C 0 0 0 0 0 0 0 0 0 9.7897 10.3422 -9.3815 C 0 0 0 0 0 0 0 0 0 10.2012 7.8873 -9.4647 C 0 0 0 0 0 0 0 0 0 6.8459 7.6672 -10.8192 P 0 0 0 0 0 0 0 0 0 7.6458 6.8879 -9.8633 O 0 0 0 0 0 0 0 0 0 8.1772 6.8185 -11.1878 O 0 0 0 0 0 0 0 0 0 7.9483 5.4222 -11.4584 C 0 0 0 0 0 0 0 0 0 8.1068 5.1478 -12.9477 C 0 0 0 0 0 0 0 0 0 9.0525 4.7415 -10.6688 C 0 0 0 0 0 0 0 0 0 5.7929 7.9862 -9.6640 O 0 0 0 0 0 0 0 0 0 5.9230 7.4047 -8.4089 C 0 0 0 0 0 0 0 0 0 6.2682 8.6209 -7.5924 C 0 0 0 0 0 0 0 0 0 4.4678 7.0193 -8.2495 C 0 0 0 0 0 0 0 0 0 7.8523 7.5975 -12.9846 H 0 0 0 0 0 0 0 0 0 4.7275 7.2822 -15.1655 H 0 0 0 0 0 0 0 0 0 6.2315 8.1590 -15.2071 H 0 0 0 0 0 0 0 0 0 6.2445 6.4138 -15.1185 H 0 0 0 0 0 0 0 0 0 3.7457 6.6287 -13.2160 H 0 0 0 0 0 0 0 0 0 4.9259 5.6714 -12.3642 H 0 0 0 0 0 0 0 0 0 4.3597 7.2165 -11.7124 H 0 0 0 0 0 0 0 0 0 6.8819 11.4946 -11.6554 H 0 0 0 0 0 0 0 0 0 6.6417 9.9305 -14.2598 H 0 0 0 0 0 0 0 0 0 7.2054 11.5731 -14.0663 H 0 0 0 0 0 0 0 0 0 8.1877 10.2546 -13.4518 H 0 0 0 0 0 0 0 0 0 5.0528 12.1436 -13.1353 H 0 0 0 0 0 0 0 0 0 4.4836 10.4519 -13.1526 H 0 0 0 0 0 0 0 0 0 4.5106 11.3475 -11.6400 H 0 0 0 0 0 0 0 0 0 9.8737 9.1719 -11.2247 H 0 0 0 0 0 0 0 0 0 10.8234 10.6703 -9.3475 H 0 0 0 0 0 0 0 0 0 9.1482 11.1140 -9.7938 H 0 0 0 0 0 0 0 0 0 9.4396 10.1404 -8.3687 H 0 0 0 0 0 0 0 0 0 9.6561 7.7893 -8.5307 H 0 0 0 0 0 0 0 0 0 10.0191 6.9988 -10.0431 H 0 0 0 0 0 0 0 0 0 11.2636 8.0028 -9.2855 H 0 0 0 0 0 0 0 0 0 6.9978 5.0407 -11.0924 H 0 0 0 0 0 0 0 0 0 8.1073 4.0941 -13.1603 H 0 0 0 0 0 0 0 0 0 7.2755 5.5813 -13.4689 H 0 0 0 0 0 0 0 0 0 9.0284 5.5910 -13.2969 H 0 0 0 0 0 0 0 0 0 9.0445 3.6697 -10.8106 H 0 0 0 0 0 0 0 0 0 10.0018 5.1497 -10.9855 H 0 0 0 0 0 0 0 0 0 8.9036 4.9693 -9.6183 H 0 0 0 0 0 0 0 0 0 6.5836 6.5678 -8.2178 H 0 0 0 0 0 0 0 0 0 7.2658 8.9382 -7.8568 H 0 0 0 0 0 0 0 0 0 5.5845 9.4101 -7.8701 H 0 0 0 0 0 0 0 0 0 6.2053 8.4043 -6.5388 H 0 0 0 0 0 0 0 0 0 4.2909 6.6477 -7.2536 H 0 0 0 0 0 0 0 0 0 3.8810 7.9107 -8.4202 H 0 0 0 0 0 0 0 0 0 4.1685 6.2809 -8.9790 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 M END > 645567 > K $$$$ 645727 1016 111283D 645727 39 39 0 1 V2000 -1.3373 6.1190 -7.7678 C 0 0 0 0 0 0 0 0 0 -0.3116 5.3480 -7.2333 C 0 0 0 0 0 0 0 0 0 0.6603 5.9752 -6.4580 C 0 0 0 0 0 0 0 0 0 0.6364 7.3500 -6.2486 C 0 0 0 0 0 0 0 0 0 -0.3913 8.1082 -6.7981 C 0 0 0 0 0 0 0 0 0 -1.3791 7.4901 -7.5521 C 0 0 0 0 0 0 0 0 0 -0.4707 9.8327 -6.5607 Cl 0 0 0 0 0 0 0 0 0 -0.3051 4.0052 -7.4918 N 0 0 0 0 0 0 0 0 0 0.7778 3.1916 -7.3439 C 0 0 0 0 0 0 0 0 0 0.5908 1.6421 -7.3201 S 0 0 0 0 0 0 0 0 0 2.0309 3.7011 -7.2178 O 0 0 0 0 0 0 0 0 0 2.5164 4.2893 -8.4104 C 0 0 0 0 0 0 0 0 0 3.7728 5.0719 -8.0399 C 0 0 0 0 0 0 0 0 0 2.8650 3.2116 -9.4384 C 0 0 0 0 0 0 0 0 0 1.7150 8.0086 -5.4344 C 0 0 0 0 0 0 0 0 0 2.6275 7.3317 -4.9137 N 0 0 0 0 0 0 0 0 0 3.6462 7.9809 -4.1857 O 0 0 0 0 0 0 0 0 0 4.5257 7.0210 -3.6466 C 0 0 0 0 0 0 0 0 0 5.2926 6.3156 -4.7643 C 0 0 0 0 0 0 0 0 0 5.4770 7.7584 -2.7092 C 0 0 0 0 0 0 0 0 0 -2.0883 5.6628 -8.3423 H 0 0 0 0 0 0 0 0 0 1.4265 5.4073 -6.0198 H 0 0 0 0 0 0 0 0 0 -2.1591 8.0630 -7.9605 H 0 0 0 0 0 0 0 0 0 -1.1258 3.5931 -7.8034 H 0 0 0 0 0 0 0 0 0 1.8024 4.9782 -8.8423 H 0 0 0 0 0 0 0 0 0 3.5086 5.8622 -7.3538 H 0 0 0 0 0 0 0 0 0 4.4847 4.4115 -7.5664 H 0 0 0 0 0 0 0 0 0 4.2178 5.5065 -8.9231 H 0 0 0 0 0 0 0 0 0 1.9691 2.6867 -9.7347 H 0 0 0 0 0 0 0 0 0 3.3101 3.6632 -10.3128 H 0 0 0 0 0 0 0 0 0 3.5594 2.5069 -9.0046 H 0 0 0 0 0 0 0 0 0 1.7138 9.0489 -5.2938 H 0 0 0 0 0 0 0 0 0 3.9640 6.2916 -3.0786 H 0 0 0 0 0 0 0 0 0 6.0105 5.6255 -4.3467 H 0 0 0 0 0 0 0 0 0 4.5969 5.7651 -5.3782 H 0 0 0 0 0 0 0 0 0 5.8034 7.0457 -5.3747 H 0 0 0 0 0 0 0 0 0 6.1642 7.0610 -2.2531 H 0 0 0 0 0 0 0 0 0 6.0307 8.5020 -3.2635 H 0 0 0 0 0 0 0 0 0 4.9026 8.2502 -1.9381 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 15 1 0 0 0 0 4 5 2 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M END > 645727 > K $$$$ 645987 1016 111283D 645987 28 30 0 1 V2000 0.1596 1.1358 0.2211 O 0 0 0 0 0 0 0 0 0 0.2384 -0.1978 -0.0381 C 0 0 0 0 0 0 0 0 0 0.2547 -0.9869 1.1031 C 0 0 0 0 0 0 0 0 0 0.3477 -2.3744 1.0550 C 0 0 0 0 0 0 0 0 0 0.3423 -3.0866 2.2328 N 0 0 0 0 0 0 0 0 0 0.5612 -2.5943 3.4761 C 0 0 0 0 0 0 0 0 0 0.4542 -3.6283 4.3847 C 0 0 0 0 0 0 0 0 0 0.1717 -4.7616 3.6502 C 0 0 0 0 0 0 0 0 0 0.1108 -4.4165 2.3505 N 0 0 0 0 0 0 0 0 0 0.4403 -2.9632 -0.2090 C 0 0 0 0 0 0 0 0 0 0.5644 -4.2929 -0.4713 O 0 0 0 0 0 0 0 0 0 0.4101 -2.1747 -1.3510 C 0 0 0 0 0 0 0 0 0 0.3004 -0.7883 -1.3025 C 0 0 0 0 0 0 0 0 0 0.2560 -0.0713 -2.4762 N 0 0 0 0 0 0 0 0 0 0.5909 -0.5144 -3.7118 C 0 0 0 0 0 0 0 0 0 0.3933 0.5114 -4.6150 C 0 0 0 0 0 0 0 0 0 -0.0648 1.5887 -3.8848 C 0 0 0 0 0 0 0 0 0 -0.1406 1.2191 -2.5932 N 0 0 0 0 0 0 0 0 0 0.3684 1.6511 -0.5449 H 0 0 0 0 0 0 0 0 0 0.1919 -0.4951 2.0258 H 0 0 0 0 0 0 0 0 0 0.7789 -1.5990 3.7291 H 0 0 0 0 0 0 0 0 0 0.5653 -3.5650 5.4268 H 0 0 0 0 0 0 0 0 0 0.0284 -5.7270 4.0371 H 0 0 0 0 0 0 0 0 0 0.7142 -4.7937 0.3172 H 0 0 0 0 0 0 0 0 0 0.4722 -2.6652 -2.2746 H 0 0 0 0 0 0 0 0 0 0.9444 -1.4704 -3.9629 H 0 0 0 0 0 0 0 0 0 0.5582 0.4789 -5.6513 H 0 0 0 0 0 0 0 0 0 -0.3123 2.5341 -4.2685 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 14 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 M END > 645987 > K $$$$ 646189 1016 111283D 646189 42 43 1 1 V2000 2.5196 5.1714 -2.8813 C 0 0 0 0 0 0 0 0 0 2.6874 3.7946 -2.2815 C 0 0 0 0 0 0 0 0 0 4.1779 3.7138 -1.8819 C 0 0 0 0 0 0 0 0 0 4.8227 4.7306 -2.8507 C 0 0 0 0 0 0 0 0 0 3.7079 5.6940 -3.2002 C 0 0 0 0 0 0 0 0 0 3.9052 6.9853 -3.7872 C 0 0 0 0 0 0 0 0 0 4.0656 8.0098 -4.2516 N 0 0 0 0 0 0 0 0 0 1.3336 5.7868 -3.0752 O 0 0 0 0 0 0 0 0 0 0.1413 5.2904 -2.4120 C 0 0 1 0 0 0 0 0 0 -0.0473 3.9123 -2.7395 O 0 0 0 0 0 0 0 0 0 -0.3077 3.8532 -4.1433 C 0 0 0 0 0 0 0 0 0 -0.6127 2.4087 -4.5451 C 0 0 0 0 0 0 0 0 0 0.3013 5.4371 -0.8973 C 0 0 1 0 0 0 0 0 0 -0.9958 5.0143 -0.2043 C 0 0 0 0 0 0 0 0 0 1.7720 4.2980 -0.2819 Se 0 0 0 0 0 0 0 0 0 2.6931 5.7223 0.6989 C 0 0 0 0 0 0 0 0 0 3.1116 5.5077 1.9988 C 0 0 0 0 0 0 0 0 0 3.7615 6.5129 2.6909 C 0 0 0 0 0 0 0 0 0 3.9930 7.7325 2.0830 C 0 0 0 0 0 0 0 0 0 3.5752 7.9470 0.7824 C 0 0 0 0 0 0 0 0 0 2.9295 6.9407 0.0891 C 0 0 0 0 0 0 0 0 0 2.0527 3.6842 -1.4023 H 0 0 0 0 0 0 0 0 0 2.4507 3.0282 -3.0195 H 0 0 0 0 0 0 0 0 0 4.3206 4.0189 -0.8451 H 0 0 0 0 0 0 0 0 0 4.5726 2.7116 -2.0494 H 0 0 0 0 0 0 0 0 0 5.6406 5.2570 -2.3585 H 0 0 0 0 0 0 0 0 0 5.1813 4.2251 -3.7473 H 0 0 0 0 0 0 0 0 0 -0.7243 5.8642 -2.7431 H 0 0 0 0 0 0 0 0 0 -1.1636 4.4848 -4.3810 H 0 0 0 0 0 0 0 0 0 0.5669 4.2054 -4.6902 H 0 0 0 0 0 0 0 0 0 -0.8113 2.3637 -5.6158 H 0 0 0 0 0 0 0 0 0 0.2431 1.7770 -4.3074 H 0 0 0 0 0 0 0 0 0 -1.4873 2.0565 -3.9983 H 0 0 0 0 0 0 0 0 0 0.5206 6.4768 -0.6544 H 0 0 0 0 0 0 0 0 0 -1.7966 5.6994 -0.4826 H 0 0 0 0 0 0 0 0 0 -1.2595 4.0027 -0.5129 H 0 0 0 0 0 0 0 0 0 -0.8551 5.0394 0.8763 H 0 0 0 0 0 0 0 0 0 2.9308 4.5549 2.4737 H 0 0 0 0 0 0 0 0 0 4.0878 6.3454 3.7066 H 0 0 0 0 0 0 0 0 0 4.4998 8.5178 2.6237 H 0 0 0 0 0 0 0 0 0 3.7557 8.8999 0.3076 H 0 0 0 0 0 0 0 0 0 2.6065 7.1069 -0.9279 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 6 7 3 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 13 1 0 0 0 0 9 28 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 1 0 0 0 13 34 1 6 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 M END > 646189 > K $$$$ 646200 1016 111283D 646200 41 41 1 2 V2000 0.3710 1.5985 3.9689 C 0 0 0 0 0 0 0 0 0 0.1000 1.2968 2.4848 C 0 0 1 0 0 0 0 0 0 0.3265 2.5435 1.5995 C 0 0 0 0 0 0 0 0 0 -0.0819 2.4163 0.1292 C 0 0 0 0 0 0 0 0 0 0.9609 -0.0878 1.8756 Se 0 0 0 0 0 0 0 0 0 0.2689 -1.3672 2.8236 C 0 0 0 0 0 0 0 0 0 0.6313 -1.6004 4.1516 C 0 0 0 0 0 0 0 0 0 -0.0105 -2.6182 4.8563 C 0 0 0 0 0 0 0 0 0 -0.9712 -3.4134 4.2481 C 0 0 0 0 0 0 0 0 0 -1.3011 -3.1975 2.9189 C 0 0 0 0 0 0 0 0 0 -0.6830 -2.1765 2.2112 C 0 0 0 0 0 0 0 0 0 1.5917 -0.8682 4.8047 N 0 3 0 0 0 0 0 0 0 1.7385 -1.0265 6.0390 O 0 0 0 0 0 0 0 0 0 2.5169 0.1106 4.1603 O 0 5 0 0 0 0 0 0 0 -0.5341 2.6559 4.2423 O 0 0 0 0 0 0 0 0 0 0.0701 3.8821 4.5770 C 0 0 0 0 0 0 0 0 0 -0.1057 0.5573 4.8326 O 0 0 0 0 0 0 0 0 0 -1.2661 0.9293 5.5536 C 0 0 0 0 0 0 0 0 0 -1.5883 -0.2639 6.4320 C 0 0 0 0 0 0 0 0 0 -1.1559 4.7708 4.4811 C 0 0 0 0 0 0 0 0 0 1.4105 1.8497 4.1500 H 0 0 0 0 0 0 0 0 0 -0.9518 1.0635 2.4539 H 0 0 0 0 0 0 0 0 0 -0.2787 3.3408 2.0085 H 0 0 0 0 0 0 0 0 0 1.3637 2.8496 1.6516 H 0 0 0 0 0 0 0 0 0 -0.0309 3.3894 -0.3384 H 0 0 0 0 0 0 0 0 0 0.5922 1.7525 -0.3924 H 0 0 0 0 0 0 0 0 0 -1.0917 2.0405 0.0487 H 0 0 0 0 0 0 0 0 0 0.2279 -2.7962 5.8648 H 0 0 0 0 0 0 0 0 0 -1.4473 -4.1767 4.7916 H 0 0 0 0 0 0 0 0 0 -2.0174 -3.8049 2.4482 H 0 0 0 0 0 0 0 0 0 -0.9472 -2.0241 1.2042 H 0 0 0 0 0 0 0 0 0 0.4687 3.8869 5.5842 H 0 0 0 0 0 0 0 0 0 0.8253 4.2043 3.8701 H 0 0 0 0 0 0 0 0 0 -1.0743 1.7926 6.1790 H 0 0 0 0 0 0 0 0 0 -2.0951 1.1542 4.8925 H 0 0 0 0 0 0 0 0 0 -1.9391 -1.0705 5.8090 H 0 0 0 0 0 0 0 0 0 -0.6915 -0.5536 6.9558 H 0 0 0 0 0 0 0 0 0 -2.3550 0.0030 7.1436 H 0 0 0 0 0 0 0 0 0 -0.9049 5.8007 4.6799 H 0 0 0 0 0 0 0 0 0 -1.5666 4.6739 3.4877 H 0 0 0 0 0 0 0 0 0 -1.8894 4.4212 5.1905 H 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 1 0 0 0 2 3 1 6 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 M CHG 2 12 1 14 -1 M END > 646200 > K $$$$ 646242 1016 111283D 646242 35 36 0 1 V2000 3.0483 2.2874 -0.3595 C 0 0 0 0 0 0 0 0 0 3.9564 1.3035 0.0075 C 0 0 0 0 0 0 0 0 0 3.7321 0.5088 1.1221 C 0 0 0 0 0 0 0 0 0 2.5776 0.7226 1.8711 C 0 0 0 0 0 0 0 0 0 1.6696 1.7084 1.5038 C 0 0 0 0 0 0 0 0 0 1.8935 2.5085 0.3858 C 0 0 0 0 0 0 0 0 0 4.6836 -0.4296 1.3939 O 0 0 0 0 0 0 0 0 0 4.2974 -1.4591 2.1915 C 0 0 0 0 0 0 0 0 0 3.9730 -2.3439 2.8744 N 0 0 0 0 0 0 0 0 0 0.9245 3.6013 -0.0404 C 0 0 0 0 0 0 0 0 0 1.6783 4.8735 -0.3964 C 0 0 0 0 0 0 0 0 0 1.4129 5.5961 -1.5564 C 0 0 0 0 0 0 0 0 0 2.1269 6.7498 -1.8516 C 0 0 0 0 0 0 0 0 0 3.1191 7.2137 -0.9993 C 0 0 0 0 0 0 0 0 0 3.3845 6.4973 0.1648 C 0 0 0 0 0 0 0 0 0 2.6699 5.3437 0.4603 C 0 0 0 0 0 0 0 0 0 0.1065 3.0063 -1.1977 C 0 0 0 0 0 0 0 0 0 -0.0805 4.0096 1.0475 C 0 0 0 0 0 0 0 0 0 3.7585 8.3547 -1.3878 O 0 0 0 0 0 0 0 0 0 4.7064 8.8370 -0.5430 C 0 0 0 0 0 0 0 0 0 5.5177 9.2468 0.1837 N 0 0 0 0 0 0 0 0 0 3.2440 2.8689 -1.2121 H 0 0 0 0 0 0 0 0 0 4.8252 1.1534 -0.5618 H 0 0 0 0 0 0 0 0 0 2.3818 0.1408 2.7233 H 0 0 0 0 0 0 0 0 0 0.8081 1.8389 2.0893 H 0 0 0 0 0 0 0 0 0 0.6700 5.2806 -2.2267 H 0 0 0 0 0 0 0 0 0 1.9165 7.2823 -2.7315 H 0 0 0 0 0 0 0 0 0 4.1277 6.8212 0.8315 H 0 0 0 0 0 0 0 0 0 2.8876 4.8218 1.3460 H 0 0 0 0 0 0 0 0 0 0.7445 2.8059 -2.0467 H 0 0 0 0 0 0 0 0 0 -0.3556 2.0795 -0.8872 H 0 0 0 0 0 0 0 0 0 -0.6767 3.6866 -1.5011 H 0 0 0 0 0 0 0 0 0 -0.7043 4.8169 0.6898 H 0 0 0 0 0 0 0 0 0 -0.7226 3.1804 1.3066 H 0 0 0 0 0 0 0 0 0 0.4401 4.3419 1.9341 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 3 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 3 0 0 0 0 M END > 646242 > K $$$$ 647363 1016 111283D 647363 47 49 0 1 V2000 2.4714 -2.5491 0.0356 C 0 0 0 0 0 0 0 0 0 3.2600 -3.4766 0.6745 C 0 0 0 0 0 0 0 0 0 3.7959 -3.2100 1.9249 C 0 0 0 0 0 0 0 0 0 3.5147 -1.9852 2.5214 C 0 0 0 0 0 0 0 0 0 2.7122 -1.0420 1.8817 C 0 0 0 0 0 0 0 0 0 2.1875 -1.3261 0.6219 C 0 0 0 0 0 0 0 0 0 3.4047 -4.5933 -0.0698 O 0 0 0 0 0 0 0 0 0 2.6229 -4.2997 -1.2214 C 0 0 0 0 0 0 0 0 0 2.0538 -2.9977 -1.1666 O 0 0 0 0 0 0 0 0 0 2.4446 0.2649 2.5864 C 0 0 0 0 0 0 0 0 0 3.1769 0.5295 3.7061 O 0 0 0 0 0 0 0 0 0 2.4484 0.7414 4.8412 C 0 0 0 0 0 0 0 0 0 1.2424 0.6627 4.8480 O 0 0 0 0 0 0 0 0 0 3.1639 1.0843 6.1088 C 0 0 0 0 0 0 0 0 0 1.5270 1.1404 2.1384 C 0 0 0 0 0 0 0 0 0 1.4196 2.5468 2.6686 C 0 0 0 0 0 0 0 0 0 0.2299 3.2483 2.5302 C 0 0 0 0 0 0 0 0 0 2.4906 3.1698 3.2975 C 0 0 0 0 0 0 0 0 0 2.3676 4.4474 3.8203 C 0 0 0 0 0 0 0 0 0 1.1717 5.1511 3.6912 C 0 0 0 0 0 0 0 0 0 0.1057 4.5388 3.0293 C 0 0 0 0 0 0 0 0 0 -1.0884 5.1662 2.8449 O 0 0 0 0 0 0 0 0 0 -2.0297 4.7964 3.8334 C 0 0 0 0 0 0 0 0 0 1.1140 6.4087 4.2320 O 0 0 0 0 0 0 0 0 0 3.4617 4.9552 4.4545 O 0 0 0 0 0 0 0 0 0 3.9988 6.1057 3.8308 C 0 0 0 0 0 0 0 0 0 0.2722 7.3586 3.6054 C 0 0 0 0 0 0 0 0 0 4.3998 -3.9209 2.4064 H 0 0 0 0 0 0 0 0 0 3.9142 -1.7717 3.4697 H 0 0 0 0 0 0 0 0 0 1.5857 -0.6417 0.1042 H 0 0 0 0 0 0 0 0 0 3.2432 -4.3814 -2.1035 H 0 0 0 0 0 0 0 0 0 1.8253 -5.0259 -1.3001 H 0 0 0 0 0 0 0 0 0 2.4964 0.9725 6.9504 H 0 0 0 0 0 0 0 0 0 4.0093 0.4236 6.2246 H 0 0 0 0 0 0 0 0 0 3.5061 2.1073 6.0545 H 0 0 0 0 0 0 0 0 0 0.8519 0.8462 1.3918 H 0 0 0 0 0 0 0 0 0 -0.5916 2.8076 2.0470 H 0 0 0 0 0 0 0 0 0 3.4154 2.6832 3.3874 H 0 0 0 0 0 0 0 0 0 -2.9403 5.3520 3.6643 H 0 0 0 0 0 0 0 0 0 -2.2525 3.7399 3.7828 H 0 0 0 0 0 0 0 0 0 -1.6572 5.0401 4.8190 H 0 0 0 0 0 0 0 0 0 4.4147 5.8454 2.8672 H 0 0 0 0 0 0 0 0 0 3.2633 6.8856 3.7005 H 0 0 0 0 0 0 0 0 0 4.7954 6.4892 4.4511 H 0 0 0 0 0 0 0 0 0 0.4854 8.3304 4.0257 H 0 0 0 0 0 0 0 0 0 0.4545 7.4001 2.5403 H 0 0 0 0 0 0 0 0 0 -0.7679 7.1406 3.7885 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 25 1 0 0 0 0 19 20 2 0 0 0 0 20 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END > 647363 > K $$$$ 647418 1016 111283D 647418 64 67 1 1 V2000 0.9069 10.5304 -5.5959 C 0 0 0 0 0 0 0 0 0 0.7467 11.8053 -6.1246 C 0 0 0 0 0 0 0 0 0 1.8035 12.4282 -6.7756 C 0 0 0 0 0 0 0 0 0 3.0186 11.7693 -6.9063 C 0 0 0 0 0 0 0 0 0 3.1789 10.4943 -6.3826 C 0 0 0 0 0 0 0 0 0 2.1269 9.8724 -5.7168 C 0 0 0 0 0 0 0 0 0 2.3744 8.4938 -5.1528 C 0 0 0 0 0 0 0 0 0 3.6349 8.0397 -5.0907 C 0 0 0 0 0 0 0 0 0 4.7424 8.9695 -5.5127 C 0 0 0 0 0 0 0 0 0 4.3802 9.8727 -6.5422 O 0 0 0 0 0 0 0 0 0 1.3758 7.6872 -4.7026 O 0 0 0 0 0 0 0 0 0 3.9349 6.6402 -4.6051 C 0 0 1 0 0 0 0 0 0 4.8093 5.9450 -5.6269 C 0 0 0 0 0 0 0 0 0 6.1973 5.9249 -5.5210 C 0 0 0 0 0 0 0 0 0 6.9696 5.2753 -6.4750 C 0 0 0 0 0 0 0 0 0 6.3602 4.6398 -7.5480 C 0 0 0 0 0 0 0 0 0 4.9771 4.6578 -7.6643 C 0 0 0 0 0 0 0 0 0 4.2080 5.3086 -6.7082 C 0 0 0 0 0 0 0 0 0 4.4803 6.6706 -3.1660 C 0 0 1 0 0 0 0 0 0 3.4509 7.2361 -2.1780 C 0 0 0 0 0 0 0 0 0 2.8333 7.0973 0.1768 C 0 0 0 0 0 0 0 0 0 3.9236 7.1573 -0.7957 N 0 0 0 0 0 0 0 0 0 4.9954 8.0967 -0.4589 C 0 0 0 0 0 0 0 0 0 5.5526 7.8219 0.9375 C 0 0 0 0 0 0 0 0 0 4.4223 7.8414 1.9660 C 0 0 0 0 0 0 0 0 0 3.3651 6.8075 1.5799 C 0 0 0 0 0 0 0 0 0 4.9250 5.3091 -2.6928 C 0 0 0 0 0 0 0 0 0 6.1373 5.1410 -2.4239 N 0 0 0 0 0 0 0 0 0 6.6873 3.8293 -1.9794 N 0 0 0 0 0 0 0 0 0 7.4234 3.1955 -3.0600 C 0 0 0 0 0 0 0 0 0 3.9480 4.1761 -2.5404 C 0 0 0 0 0 0 0 0 0 0.0983 10.0754 -5.1052 H 0 0 0 0 0 0 0 0 0 -0.1755 12.3003 -6.0322 H 0 0 0 0 0 0 0 0 0 1.6857 13.3955 -7.1683 H 0 0 0 0 0 0 0 0 0 3.8224 12.2300 -7.4004 H 0 0 0 0 0 0 0 0 0 5.0399 9.5392 -4.6435 H 0 0 0 0 0 0 0 0 0 5.6035 8.4169 -5.8536 H 0 0 0 0 0 0 0 0 0 0.5296 8.0058 -4.9908 H 0 0 0 0 0 0 0 0 0 3.0087 6.0832 -4.5747 H 0 0 0 0 0 0 0 0 0 6.6759 6.4011 -4.7172 H 0 0 0 0 0 0 0 0 0 8.0158 5.2649 -6.3843 H 0 0 0 0 0 0 0 0 0 6.9436 4.1476 -8.2695 H 0 0 0 0 0 0 0 0 0 4.5126 4.1792 -8.4757 H 0 0 0 0 0 0 0 0 0 3.1621 5.3163 -6.8076 H 0 0 0 0 0 0 0 0 0 5.3420 7.3214 -3.1578 H 0 0 0 0 0 0 0 0 0 3.2169 8.2631 -2.4208 H 0 0 0 0 0 0 0 0 0 2.5411 6.6615 -2.2872 H 0 0 0 0 0 0 0 0 0 2.2937 8.0336 0.1785 H 0 0 0 0 0 0 0 0 0 2.1491 6.3031 -0.0886 H 0 0 0 0 0 0 0 0 0 5.8138 8.0070 -1.1579 H 0 0 0 0 0 0 0 0 0 4.6172 9.1084 -0.4982 H 0 0 0 0 0 0 0 0 0 6.0273 6.8507 0.9421 H 0 0 0 0 0 0 0 0 0 6.2872 8.5735 1.1889 H 0 0 0 0 0 0 0 0 0 4.8178 7.6087 2.9445 H 0 0 0 0 0 0 0 0 0 3.9745 8.8252 1.9931 H 0 0 0 0 0 0 0 0 0 2.5506 6.8351 2.2896 H 0 0 0 0 0 0 0 0 0 3.8084 5.8216 1.5891 H 0 0 0 0 0 0 0 0 0 7.2630 3.9502 -1.1695 H 0 0 0 0 0 0 0 0 0 8.2623 3.8148 -3.3429 H 0 0 0 0 0 0 0 0 0 7.7852 2.2275 -2.7442 H 0 0 0 0 0 0 0 0 0 6.7724 3.0692 -3.9129 H 0 0 0 0 0 0 0 0 0 2.9909 4.4262 -2.9732 H 0 0 0 0 0 0 0 0 0 4.3335 3.2923 -3.0259 H 0 0 0 0 0 0 0 0 0 3.8177 3.9718 -1.4879 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 1 0 0 0 12 19 1 6 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 27 1 0 0 0 0 19 20 1 6 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 M END > 647418 > K $$$$ 647613 1016 111283D 647613 45 48 1 1 V2000 8.9120 -0.6375 5.6294 C 0 0 0 0 0 0 0 0 0 7.8083 -1.4752 5.7585 C 0 0 0 0 0 0 0 0 0 6.5238 -0.9838 5.5587 C 0 0 0 0 0 0 0 0 0 6.3745 0.3567 5.2314 C 0 0 0 0 0 0 0 0 0 7.4650 1.1929 5.1007 C 0 0 0 0 0 0 0 0 0 8.7471 0.7028 5.2973 C 0 0 0 0 0 0 0 0 0 5.1113 1.1017 4.9664 C 0 0 1 0 0 0 0 0 0 5.7823 2.4252 4.7117 C 0 0 0 0 0 0 0 0 0 7.1434 2.4686 4.7753 O 0 0 0 0 0 0 0 0 0 5.1348 3.4121 4.4590 O 0 0 0 0 0 0 0 0 0 4.3627 0.5742 3.7385 C 0 0 0 0 0 0 0 0 0 5.3084 0.5110 2.5717 C 0 0 0 0 0 0 0 0 0 6.2803 -0.6371 2.4738 C 0 0 0 0 0 0 0 0 0 7.6460 -0.4250 2.2856 C 0 0 0 0 0 0 0 0 0 8.5034 -1.5127 2.1943 C 0 0 0 0 0 0 0 0 0 8.0139 -2.8083 2.2851 C 0 0 0 0 0 0 0 0 0 6.6570 -3.0198 2.4839 C 0 0 0 0 0 0 0 0 0 5.7962 -1.9358 2.5815 C 0 0 0 0 0 0 0 0 0 5.2617 1.4332 1.7232 N 0 0 0 0 0 0 0 0 0 5.7988 1.4163 0.5809 N 0 0 0 0 0 0 0 0 0 5.8948 2.5511 -0.1662 C 0 0 0 0 0 0 0 0 0 5.4364 3.7714 0.3182 C 0 0 0 0 0 0 0 0 0 5.5564 4.9230 -0.4490 C 0 0 0 0 0 0 0 0 0 6.1316 4.8598 -1.7113 C 0 0 0 0 0 0 0 0 0 6.5838 3.6433 -2.2050 C 0 0 0 0 0 0 0 0 0 6.4620 2.4938 -1.4346 C 0 0 0 0 0 0 0 0 0 8.2264 0.8007 2.1870 O 0 0 0 0 0 0 0 0 0 9.8777 -1.0202 5.7840 H 0 0 0 0 0 0 0 0 0 7.9460 -2.4857 6.0070 H 0 0 0 0 0 0 0 0 0 5.6874 -1.6119 5.6505 H 0 0 0 0 0 0 0 0 0 9.5754 1.3386 5.1942 H 0 0 0 0 0 0 0 0 0 4.4874 1.1442 5.8475 H 0 0 0 0 0 0 0 0 0 3.9704 -0.4054 3.9647 H 0 0 0 0 0 0 0 0 0 3.5402 1.2329 3.5007 H 0 0 0 0 0 0 0 0 0 9.5308 -1.3469 2.0561 H 0 0 0 0 0 0 0 0 0 8.6688 -3.6252 2.2034 H 0 0 0 0 0 0 0 0 0 6.2812 -3.9976 2.5597 H 0 0 0 0 0 0 0 0 0 4.7721 -2.1053 2.7363 H 0 0 0 0 0 0 0 0 0 6.1506 0.5873 0.2132 H 0 0 0 0 0 0 0 0 0 4.9974 3.8245 1.2707 H 0 0 0 0 0 0 0 0 0 5.2123 5.8413 -0.0728 H 0 0 0 0 0 0 0 0 0 6.2243 5.7310 -2.2910 H 0 0 0 0 0 0 0 0 0 7.0180 3.5931 -3.1603 H 0 0 0 0 0 0 0 0 0 6.8023 1.5766 -1.8155 H 0 0 0 0 0 0 0 0 0 7.6090 1.5013 2.3704 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 1 0 0 0 7 32 1 6 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 19 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 27 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END > 647613 > K $$$$ 647889 1016 111283D 647889 87 92 1 1 V2000 0.4197 1.7027 -1.1724 C 0 0 0 0 0 0 0 0 0 1.1151 0.8217 -1.9905 C 0 0 0 0 0 0 0 0 0 0.9523 2.9528 -0.8796 C 0 0 0 0 0 0 0 0 0 2.1867 3.3154 -1.4073 C 0 0 0 0 0 0 0 0 0 2.8826 2.4352 -2.2251 C 0 0 0 0 0 0 0 0 0 2.3465 1.1880 -2.5176 C 0 0 0 0 0 0 0 0 0 0.2006 3.9062 0.0108 C 0 0 0 0 0 0 0 0 0 0.4931 3.5795 1.4765 C 0 0 1 0 0 0 0 0 0 1.9674 3.6947 1.7432 C 0 0 0 0 0 0 0 0 0 2.7739 2.6223 1.8797 N 0 0 0 0 0 0 0 0 0 2.7865 5.1861 1.9011 S 0 0 0 0 0 0 0 0 0 4.2425 4.3454 2.1755 C 0 0 0 0 0 0 0 0 0 4.0506 2.9760 2.1257 C 0 0 0 0 0 0 0 0 0 -0.2200 4.4343 2.3876 N 0 0 0 0 0 0 0 0 0 -0.4064 4.1116 3.6908 C 0 0 0 0 0 0 0 0 0 -1.0619 4.8593 4.3737 O 0 0 0 0 0 0 0 0 0 0.1178 2.9855 4.2391 N 0 0 0 0 0 0 0 0 0 -0.1328 2.6381 5.6075 C 0 0 1 0 0 0 0 0 0 -0.0434 1.1236 5.8222 C 0 0 0 0 0 0 0 0 0 0.9202 3.3740 6.4355 C 0 0 0 0 0 0 0 0 0 0.7894 3.0135 7.9171 C 0 0 1 0 0 0 0 0 0 0.9229 1.4986 8.1822 C 0 0 1 0 0 0 0 0 0 -0.1337 0.7801 7.3148 C 0 0 0 0 0 0 0 0 0 2.3028 0.9442 7.7680 C 0 0 0 0 0 0 0 0 0 0.7314 1.2232 9.6983 C 0 0 1 0 0 0 0 0 0 1.6714 2.0791 10.5727 C 0 0 1 0 0 0 0 0 0 1.5447 3.5747 10.2281 C 0 0 0 0 0 0 0 0 0 1.7818 3.8348 8.7431 C 0 0 0 0 0 0 0 0 0 -0.7007 1.3996 10.2313 C 0 0 0 0 0 0 0 0 0 -0.8089 0.9256 11.6820 C 0 0 0 0 0 0 0 0 0 0.1425 1.6174 12.6759 C 0 0 2 0 0 0 0 0 0 1.5544 1.6835 12.0619 C 0 0 2 0 0 0 0 0 0 0.1690 0.7684 13.9611 C 0 0 0 0 0 0 0 0 0 -0.1594 3.0883 13.0284 C 0 0 2 0 0 0 0 0 0 1.2174 3.6181 13.4648 C 0 0 0 0 0 0 0 0 0 2.2937 2.6405 12.9929 C 0 0 0 0 0 0 0 0 0 -1.1916 3.4055 14.0293 N 0 0 0 0 0 0 0 0 0 -1.2883 4.8347 14.3401 C 0 0 0 0 0 0 0 0 0 -2.5303 2.8841 13.7559 C 0 0 0 0 0 0 0 0 0 0.9829 0.1835 9.8609 H 0 0 0 0 0 0 0 0 0 2.6888 1.8226 10.3179 H 0 0 0 0 0 0 0 0 0 2.0078 0.7039 12.1336 H 0 0 0 0 0 0 0 0 0 -0.5111 1.4194 -0.7762 H 0 0 0 0 0 0 0 0 0 0.7086 -0.1213 -2.2115 H 0 0 0 0 0 0 0 0 0 2.5979 4.2574 -1.1889 H 0 0 0 0 0 0 0 0 0 3.8137 2.7136 -2.6234 H 0 0 0 0 0 0 0 0 0 2.8720 0.5224 -3.1373 H 0 0 0 0 0 0 0 0 0 0.4911 4.9254 -0.2024 H 0 0 0 0 0 0 0 0 0 -0.8601 3.8099 -0.1720 H 0 0 0 0 0 0 0 0 0 0.1915 2.5545 1.6433 H 0 0 0 0 0 0 0 0 0 5.1662 4.8087 2.3589 H 0 0 0 0 0 0 0 0 0 4.8230 2.2783 2.2658 H 0 0 0 0 0 0 0 0 0 -0.5863 5.2775 2.0798 H 0 0 0 0 0 0 0 0 0 0.6772 2.4043 3.7051 H 0 0 0 0 0 0 0 0 0 -1.1182 2.9699 5.9093 H 0 0 0 0 0 0 0 0 0 -0.8586 0.6461 5.2977 H 0 0 0 0 0 0 0 0 0 0.8807 0.7488 5.4084 H 0 0 0 0 0 0 0 0 0 1.9074 3.1269 6.0729 H 0 0 0 0 0 0 0 0 0 0.7702 4.4371 6.3107 H 0 0 0 0 0 0 0 0 0 -0.2038 3.3199 8.2162 H 0 0 0 0 0 0 0 0 0 -1.1241 1.0771 7.6248 H 0 0 0 0 0 0 0 0 0 -0.0470 -0.2901 7.4402 H 0 0 0 0 0 0 0 0 0 2.5047 1.1109 6.7219 H 0 0 0 0 0 0 0 0 0 3.1055 1.4055 8.3201 H 0 0 0 0 0 0 0 0 0 2.3385 -0.1205 7.9500 H 0 0 0 0 0 0 0 0 0 0.5602 3.9486 10.4494 H 0 0 0 0 0 0 0 0 0 2.2653 4.1549 10.7838 H 0 0 0 0 0 0 0 0 0 2.7988 3.5846 8.4789 H 0 0 0 0 0 0 0 0 0 1.6278 4.8869 8.5486 H 0 0 0 0 0 0 0 0 0 -1.0225 2.4270 10.1541 H 0 0 0 0 0 0 0 0 0 -1.3843 0.7854 9.6657 H 0 0 0 0 0 0 0 0 0 -1.8351 1.0311 11.9925 H 0 0 0 0 0 0 0 0 0 -0.5824 -0.1318 11.6765 H 0 0 0 0 0 0 0 0 0 -0.8255 0.6495 14.3620 H 0 0 0 0 0 0 0 0 0 0.5673 -0.2134 13.7491 H 0 0 0 0 0 0 0 0 0 0.7810 1.2276 14.7232 H 0 0 0 0 0 0 0 0 0 -0.4531 3.5905 12.1224 H 0 0 0 0 0 0 0 0 0 1.3805 4.6035 13.0529 H 0 0 0 0 0 0 0 0 0 1.2709 3.6721 14.5429 H 0 0 0 0 0 0 0 0 0 2.6647 2.0873 13.8440 H 0 0 0 0 0 0 0 0 0 3.1295 3.1343 12.5190 H 0 0 0 0 0 0 0 0 0 -2.0203 5.0045 15.1170 H 0 0 0 0 0 0 0 0 0 -0.3474 5.2235 14.6996 H 0 0 0 0 0 0 0 0 0 -1.5796 5.3907 13.4598 H 0 0 0 0 0 0 0 0 0 -2.8766 3.2219 12.7891 H 0 0 0 0 0 0 0 0 0 -2.5382 1.8073 13.7838 H 0 0 0 0 0 0 0 0 0 -3.2294 3.2160 14.5106 H 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 2 2 0 0 0 0 1 43 1 0 0 0 0 2 6 1 0 0 0 0 2 44 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 5 6 2 0 0 0 0 5 46 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 14 1 1 0 0 0 8 9 1 6 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 1 0 0 0 19 23 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 21 60 1 1 0 0 0 22 25 1 1 0 0 0 22 23 1 0 0 0 0 22 24 1 6 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 1 0 0 0 25 40 1 0 0 0 0 26 32 1 1 0 0 0 26 27 1 0 0 0 0 26 41 1 6 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 34 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 1 0 0 0 32 36 1 1 0 0 0 32 42 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 37 1 1 0 0 0 34 35 1 0 0 0 0 34 77 1 6 0 0 0 35 36 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 M END > 647889 > K $$$$ 648320 1016 111283D 648320 28 29 0 1 V2000 7.6944 -7.5832 1.8432 C 0 0 0 0 0 0 0 0 0 5.9786 -8.1837 1.9081 S 0 0 0 0 0 0 0 0 0 5.2123 -6.7741 1.1506 C 0 0 0 0 0 0 0 0 0 6.3255 -5.4023 0.9708 S 0 0 0 0 0 0 0 0 0 7.6785 -6.0610 1.9910 C 0 0 0 0 0 0 0 0 0 3.9292 -6.7819 0.7687 C 0 0 0 0 0 0 0 0 0 3.2695 -5.5954 0.1286 C 0 0 0 0 0 0 0 0 0 3.8851 -4.5745 -0.0643 O 0 0 0 0 0 0 0 0 0 1.8275 -5.6708 -0.2796 C 0 0 0 0 0 0 0 0 0 1.2291 -4.6160 -0.8516 C 0 0 0 0 0 0 0 0 0 -2.0299 -3.3732 -2.3008 C 0 0 0 0 0 0 0 0 0 -2.8651 -4.4718 -2.1532 C 0 0 0 0 0 0 0 0 0 -0.7100 -3.4426 -1.8741 C 0 0 0 0 0 0 0 0 0 -0.2121 -4.6058 -1.2966 C 0 0 0 0 0 0 0 0 0 -1.0556 -5.7041 -1.1535 C 0 0 0 0 0 0 0 0 0 -2.3761 -5.6371 -1.5793 C 0 0 0 0 0 0 0 0 0 -4.5197 -4.3894 -2.6858 Cl 0 0 0 0 0 0 0 0 0 1.7981 -3.7439 -0.9988 H 0 0 0 0 0 0 0 0 0 8.2927 -8.0405 2.6178 H 0 0 0 0 0 0 0 0 0 8.1037 -7.8365 0.8760 H 0 0 0 0 0 0 0 0 0 7.4744 -5.8107 3.0220 H 0 0 0 0 0 0 0 0 0 8.6258 -5.6327 1.6973 H 0 0 0 0 0 0 0 0 0 3.3645 -7.6525 0.9240 H 0 0 0 0 0 0 0 0 0 1.3006 -6.5608 -0.1092 H 0 0 0 0 0 0 0 0 0 -2.3976 -2.4904 -2.7351 H 0 0 0 0 0 0 0 0 0 -0.0861 -2.6051 -1.9913 H 0 0 0 0 0 0 0 0 0 -0.7089 -6.5957 -0.7237 H 0 0 0 0 0 0 0 0 0 -3.0073 -6.4690 -1.4675 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 17 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END > 648320 > K $$$$ 648419 1016 111283D 648419 52 55 0 1 V2000 3.7379 -0.5015 8.7896 C 0 0 0 0 0 0 0 0 0 3.1040 -0.7910 9.9974 C 0 0 0 0 0 0 0 0 0 1.7116 -0.8269 10.0567 C 0 0 0 0 0 0 0 0 0 0.9620 -0.5787 8.9143 C 0 0 0 0 0 0 0 0 0 1.5974 -0.2953 7.7153 C 0 0 0 0 0 0 0 0 0 2.9813 -0.2556 7.6507 C 0 0 0 0 0 0 0 0 0 5.1010 -0.4586 8.7242 O 0 0 0 0 0 0 0 0 0 5.7497 -0.1394 7.4823 C 0 0 0 0 0 0 0 0 0 3.8459 -1.0351 11.1197 O 0 0 0 0 0 0 0 0 0 1.0845 -1.1061 11.2370 O 0 0 0 0 0 0 0 0 0 -0.3390 -1.3026 11.2625 C 0 0 0 0 0 0 0 0 0 3.9208 -2.3699 11.6464 C 0 0 0 0 0 0 0 0 0 0.7807 -0.0302 6.4797 C 0 0 0 0 0 0 0 0 0 0.0630 1.2816 6.6304 C 0 0 0 0 0 0 0 0 0 -0.9974 1.3367 7.2109 O 0 0 0 0 0 0 0 0 0 0.6593 2.5178 6.0678 C 0 0 0 0 0 0 0 0 0 0.6859 3.6937 6.8278 C 0 0 0 0 0 0 0 0 0 1.1932 2.5014 4.7772 C 0 0 0 0 0 0 0 0 0 1.7471 3.6640 4.2568 C 0 0 0 0 0 0 0 0 0 1.7722 4.8278 5.0078 C 0 0 0 0 0 0 0 0 0 1.2457 4.8522 6.2961 C 0 0 0 0 0 0 0 0 0 0.1206 3.7136 8.2091 C 0 0 0 0 0 0 0 0 0 0.5906 2.8120 9.1629 C 0 0 0 0 0 0 0 0 0 -0.8726 4.6344 8.5380 C 0 0 0 0 0 0 0 0 0 -1.3969 4.6471 9.8219 C 0 0 0 0 0 0 0 0 0 -0.9319 3.7465 10.7726 C 0 0 0 0 0 0 0 0 0 0.0614 2.8321 10.4446 C 0 0 0 0 0 0 0 0 0 2.3189 3.8958 3.0393 O 0 0 0 0 0 0 0 0 0 2.4021 5.3341 2.9227 C 0 0 0 0 0 0 0 0 0 2.3611 5.8213 4.2825 O 0 0 0 0 0 0 0 0 0 -0.1040 -0.6065 8.9586 H 0 0 0 0 0 0 0 0 0 3.4653 -0.0364 6.7251 H 0 0 0 0 0 0 0 0 0 5.4798 -0.8728 6.7237 H 0 0 0 0 0 0 0 0 0 5.4441 0.8511 7.1477 H 0 0 0 0 0 0 0 0 0 6.8299 -0.1510 7.6200 H 0 0 0 0 0 0 0 0 0 -0.6093 -2.1413 10.6223 H 0 0 0 0 0 0 0 0 0 -0.6606 -1.5147 12.2812 H 0 0 0 0 0 0 0 0 0 -0.8444 -0.4048 10.9094 H 0 0 0 0 0 0 0 0 0 2.9278 -2.7232 11.9148 H 0 0 0 0 0 0 0 0 0 4.3530 -3.0396 10.9047 H 0 0 0 0 0 0 0 0 0 4.5524 -2.3746 12.5372 H 0 0 0 0 0 0 0 0 0 1.4380 0.0096 5.6157 H 0 0 0 0 0 0 0 0 0 0.0542 -0.8253 6.3487 H 0 0 0 0 0 0 0 0 0 1.1743 1.6062 4.1944 H 0 0 0 0 0 0 0 0 0 1.2705 5.7503 6.8733 H 0 0 0 0 0 0 0 0 0 1.3553 2.1092 8.9132 H 0 0 0 0 0 0 0 0 0 -1.2318 5.3275 7.8086 H 0 0 0 0 0 0 0 0 0 -2.1582 5.3490 10.0801 H 0 0 0 0 0 0 0 0 0 -1.3375 3.7589 11.7594 H 0 0 0 0 0 0 0 0 0 0.4173 2.1448 11.1794 H 0 0 0 0 0 0 0 0 0 3.3313 5.6324 2.4296 H 0 0 0 0 0 0 0 0 0 1.5505 5.7215 2.3518 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 9 1 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 13 1 0 0 0 0 5 6 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 22 1 0 0 0 0 17 21 2 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 28 1 0 0 0 0 19 20 2 0 0 0 0 20 30 1 0 0 0 0 20 21 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 27 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END > 648419 > K $$$$ 648422 1016 111283D 648422 44 46 0 1 V2000 7.8933 6.2804 -6.4251 C 0 0 0 0 0 0 0 0 0 7.5823 7.4694 -7.0398 C 0 0 0 0 0 0 0 0 0 6.7331 8.3763 -6.4279 C 0 0 0 0 0 0 0 0 0 6.2067 8.0566 -5.1808 C 0 0 0 0 0 0 0 0 0 6.5068 6.8497 -4.5442 C 0 0 0 0 0 0 0 0 0 7.3648 5.9550 -5.1857 C 0 0 0 0 0 0 0 0 0 8.1964 7.5842 -8.2361 O 0 0 0 0 0 0 0 0 0 8.9521 6.3814 -8.3058 C 0 0 0 0 0 0 0 0 0 8.7358 5.5422 -7.1782 O 0 0 0 0 0 0 0 0 0 5.9010 6.5428 -3.1837 C 0 0 0 0 0 0 0 0 0 6.3513 5.5203 -2.4316 C 0 0 0 0 0 0 0 0 0 4.7695 7.4110 -2.6860 C 0 0 0 0 0 0 0 0 0 5.9736 5.2771 -0.9929 C 0 0 0 0 0 0 0 0 0 5.8940 6.3124 -0.0701 C 0 0 0 0 0 0 0 0 0 5.7022 3.9830 -0.5733 C 0 0 0 0 0 0 0 0 0 5.3343 3.7216 0.7428 C 0 0 0 0 0 0 0 0 0 5.5370 6.0729 1.2494 C 0 0 0 0 0 0 0 0 0 5.2493 4.7697 1.6598 C 0 0 0 0 0 0 0 0 0 5.5093 7.1888 2.0387 O 0 0 0 0 0 0 0 0 0 4.8141 7.1087 3.2674 C 0 0 0 0 0 0 0 0 0 4.8864 4.5273 2.9553 O 0 0 0 0 0 0 0 0 0 5.7714 3.6689 3.6503 C 0 0 0 0 0 0 0 0 0 5.0472 2.4487 1.1511 O 0 0 0 0 0 0 0 0 0 5.8492 1.4046 0.6299 C 0 0 0 0 0 0 0 0 0 6.4965 9.2836 -6.9003 H 0 0 0 0 0 0 0 0 0 5.5710 8.7546 -4.7226 H 0 0 0 0 0 0 0 0 0 7.6278 5.0342 -4.7625 H 0 0 0 0 0 0 0 0 0 8.6860 5.8433 -9.2052 H 0 0 0 0 0 0 0 0 0 10.0025 6.6331 -8.3584 H 0 0 0 0 0 0 0 0 0 7.0132 4.8261 -2.8519 H 0 0 0 0 0 0 0 0 0 5.1601 8.3064 -2.2259 H 0 0 0 0 0 0 0 0 0 4.1279 7.6873 -3.5097 H 0 0 0 0 0 0 0 0 0 4.1497 6.8805 -1.9782 H 0 0 0 0 0 0 0 0 0 6.1074 7.2980 -0.3602 H 0 0 0 0 0 0 0 0 0 5.7720 3.1954 -1.2628 H 0 0 0 0 0 0 0 0 0 3.8471 6.6417 3.1413 H 0 0 0 0 0 0 0 0 0 5.3951 6.5546 3.9896 H 0 0 0 0 0 0 0 0 0 4.6614 8.1100 3.6419 H 0 0 0 0 0 0 0 0 0 6.7885 4.0294 3.5765 H 0 0 0 0 0 0 0 0 0 5.4902 3.6607 4.6932 H 0 0 0 0 0 0 0 0 0 5.7196 2.6567 3.2783 H 0 0 0 0 0 0 0 0 0 5.7289 0.5355 1.2602 H 0 0 0 0 0 0 0 0 0 5.5382 1.1453 -0.3713 H 0 0 0 0 0 0 0 0 0 6.8956 1.6784 0.6293 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 23 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END > 648422 > K $$$$ 650573 1016 111283D 650573 34 37 0 1 V2000 6.0649 -6.3230 1.2576 C 0 0 0 0 0 0 0 0 0 5.4330 -5.9024 0.0936 C 0 0 0 0 0 0 0 0 0 4.8690 -4.6428 0.0212 C 0 0 0 0 0 0 0 0 0 4.9311 -3.7872 1.1195 C 0 0 0 0 0 0 0 0 0 5.5714 -4.2138 2.2972 C 0 0 0 0 0 0 0 0 0 6.1355 -5.4874 2.3562 C 0 0 0 0 0 0 0 0 0 4.3157 -2.4318 1.0254 C 0 0 0 0 0 0 0 0 0 6.2086 -3.6936 4.5088 O 0 0 0 0 0 0 0 0 0 4.4198 -1.5635 2.2150 C 0 0 0 0 0 0 0 0 0 5.0562 -1.9918 3.3798 C 0 0 0 0 0 0 0 0 0 5.6587 -3.3266 3.4856 C 0 0 0 0 0 0 0 0 0 3.9837 -0.3235 2.4329 N 0 0 0 0 0 0 0 0 0 4.3213 0.0242 3.6605 C 0 0 0 0 0 0 0 0 0 4.9847 -0.9856 4.2722 O 0 0 0 0 0 0 0 0 0 3.7139 -2.0377 -0.0587 N 0 0 0 0 0 0 0 0 0 2.6562 -2.7338 -0.5504 C 0 0 0 0 0 0 0 0 0 2.3256 -2.6377 -1.9095 C 0 0 0 0 0 0 0 0 0 1.2515 -3.3455 -2.4092 C 0 0 0 0 0 0 0 0 0 0.5001 -4.1575 -1.5693 C 0 0 0 0 0 0 0 0 0 0.8225 -4.2604 -0.2221 C 0 0 0 0 0 0 0 0 0 1.8985 -3.5626 0.2904 C 0 0 0 0 0 0 0 0 0 4.0149 1.3533 4.2953 C 0 0 0 0 0 0 0 0 0 6.4958 -7.3032 1.3042 H 0 0 0 0 0 0 0 0 0 5.3844 -6.5582 -0.7525 H 0 0 0 0 0 0 0 0 0 4.3841 -4.3245 -0.8812 H 0 0 0 0 0 0 0 0 0 6.6250 -5.8185 3.2517 H 0 0 0 0 0 0 0 0 0 2.9045 -2.0100 -2.5612 H 0 0 0 0 0 0 0 0 0 0.9963 -3.2706 -3.4479 H 0 0 0 0 0 0 0 0 0 -0.3325 -4.7046 -1.9617 H 0 0 0 0 0 0 0 0 0 0.2365 -4.8892 0.4196 H 0 0 0 0 0 0 0 0 0 2.1476 -3.6469 1.3301 H 0 0 0 0 0 0 0 0 0 3.0515 1.3003 4.7980 H 0 0 0 0 0 0 0 0 0 4.7893 1.5955 5.0196 H 0 0 0 0 0 0 0 0 0 3.9819 2.1224 3.5273 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 26 1 0 0 0 0 7 15 2 0 0 0 0 7 9 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 10 2 0 0 0 0 10 14 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 M END > 650573 > K $$$$ 650792 1016 111283D 650792 52 53 0 1 V2000 0.6498 1.0538 0.7726 N 0 0 0 0 0 0 0 0 0 1.3325 0.6586 -0.4355 C 0 0 0 0 0 0 0 0 0 0.8158 1.1682 -1.7780 C 0 0 0 0 0 0 0 0 0 2.0355 0.8019 -3.0840 S 0 0 0 0 0 0 0 0 0 1.1452 0.6169 2.0573 C 0 0 0 0 0 0 0 0 0 2.6673 0.5298 2.1636 C 0 0 0 0 0 0 0 0 0 3.1655 -0.2123 3.7460 S 0 0 0 0 0 0 0 0 0 3.8293 -1.8322 3.2562 C 0 0 0 0 0 0 0 0 0 2.6817 -2.8010 2.9899 C 0 0 0 0 0 0 0 0 0 2.4013 -0.9815 -3.0250 C 0 0 0 0 0 0 0 0 0 3.5778 -1.2652 -2.0923 C 0 0 0 0 0 0 0 0 0 3.9837 -3.0366 -2.0948 S 0 0 0 0 0 0 0 0 0 4.3185 -3.4490 -0.3552 C 0 0 0 0 0 0 0 0 0 3.0099 -3.8427 0.3226 C 0 0 0 0 0 0 0 0 0 3.2819 -4.2514 2.0747 S 0 0 0 0 0 0 0 0 0 -0.7001 2.0011 0.7122 S 0 0 0 0 0 0 0 0 0 -1.8799 3.3339 4.3586 C 0 0 0 0 0 0 0 0 0 -1.2872 3.2540 3.1046 C 0 0 0 0 0 0 0 0 0 -1.4705 2.1225 2.3196 C 0 0 0 0 0 0 0 0 0 -2.2540 1.0760 2.7873 C 0 0 0 0 0 0 0 0 0 -2.8463 1.1561 4.0409 C 0 0 0 0 0 0 0 0 0 -2.6547 2.2818 4.8337 C 0 0 0 0 0 0 0 0 0 -3.2821 2.3617 6.1965 C 0 0 0 0 0 0 0 0 0 -0.3122 3.3033 0.2683 O 0 0 0 0 0 0 0 0 0 -1.6233 1.4343 -0.2201 O 0 0 0 0 0 0 0 0 0 2.3507 1.0137 -0.3726 H 0 0 0 0 0 0 0 0 0 1.3296 -0.4206 -0.4724 H 0 0 0 0 0 0 0 0 0 -0.1286 0.7016 -2.0163 H 0 0 0 0 0 0 0 0 0 0.6836 2.2394 -1.7339 H 0 0 0 0 0 0 0 0 0 0.8287 1.2943 2.8361 H 0 0 0 0 0 0 0 0 0 0.7194 -0.3542 2.2631 H 0 0 0 0 0 0 0 0 0 3.0588 -0.0880 1.3701 H 0 0 0 0 0 0 0 0 0 3.0871 1.5216 2.0793 H 0 0 0 0 0 0 0 0 0 4.4224 -1.7089 2.3621 H 0 0 0 0 0 0 0 0 0 4.4592 -2.2265 4.0404 H 0 0 0 0 0 0 0 0 0 2.2558 -3.1134 3.9325 H 0 0 0 0 0 0 0 0 0 1.9139 -2.3172 2.4058 H 0 0 0 0 0 0 0 0 0 1.5260 -1.5242 -2.6998 H 0 0 0 0 0 0 0 0 0 2.6665 -1.3099 -4.0197 H 0 0 0 0 0 0 0 0 0 4.4425 -0.7079 -2.4223 H 0 0 0 0 0 0 0 0 0 3.3404 -0.9649 -1.0850 H 0 0 0 0 0 0 0 0 0 5.0041 -4.2828 -0.3117 H 0 0 0 0 0 0 0 0 0 4.7612 -2.6005 0.1455 H 0 0 0 0 0 0 0 0 0 2.2981 -3.0345 0.2390 H 0 0 0 0 0 0 0 0 0 2.6070 -4.7117 -0.1771 H 0 0 0 0 0 0 0 0 0 -1.7395 4.1931 4.9473 H 0 0 0 0 0 0 0 0 0 -0.7003 4.0496 2.7491 H 0 0 0 0 0 0 0 0 0 -2.3978 0.2241 2.1901 H 0 0 0 0 0 0 0 0 0 -3.4394 0.3610 4.3874 H 0 0 0 0 0 0 0 0 0 -4.2257 2.8830 6.1242 H 0 0 0 0 0 0 0 0 0 -3.4559 1.3705 6.5899 H 0 0 0 0 0 0 0 0 0 -2.6333 2.8956 6.8755 H 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 15 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 16 25 2 0 0 0 0 16 24 2 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 M END > 650792 > K $$$$ 651079 1016 111283D 651079 40 43 1 1 V2000 0.8125 9.0503 -8.3758 O 0 0 0 0 0 0 0 0 0 1.2742 8.6898 -7.3184 C 0 0 0 0 0 0 0 0 0 2.0137 9.6620 -6.4190 C 0 0 0 0 0 0 0 0 0 2.4419 7.8121 -4.8032 C 0 0 0 0 0 0 0 0 0 1.6922 6.8618 -5.6790 C 0 0 0 0 0 0 0 0 0 1.1276 7.2679 -6.8705 C 0 0 0 0 0 0 0 0 0 2.1334 11.0426 -6.8310 N 0 0 0 0 0 0 0 0 0 2.6003 11.2330 -8.2035 C 0 0 0 0 0 0 0 0 0 3.4746 11.5887 -7.0226 C 0 0 0 0 0 0 0 0 0 3.2698 10.2005 -4.3389 C 0 0 0 0 0 0 0 0 0 2.9480 7.4437 -3.7694 O 0 0 0 0 0 0 0 0 0 1.4096 5.5592 -5.5615 N 0 0 0 0 0 0 0 0 0 1.6735 4.5199 -4.6236 C 0 0 0 0 0 0 0 0 0 1.3251 3.3130 -5.5185 C 0 0 0 0 0 0 0 0 0 0.3170 3.7537 -6.5960 C 0 0 1 0 0 0 0 0 0 0.7011 5.1977 -6.6168 C 0 0 0 0 0 0 0 0 0 0.4954 6.2281 -7.4646 N 0 0 0 0 0 0 0 0 0 2.5461 9.2487 -5.2502 C 0 0 0 0 0 0 0 0 0 0.5538 3.0814 -7.8155 O 0 0 0 0 0 0 0 0 0 -0.2704 3.5519 -8.7878 C 0 0 0 0 0 0 0 0 0 0.1937 3.5412 -10.2065 C 0 0 0 0 0 0 0 0 0 -1.3669 3.9820 -8.5186 O 0 0 0 0 0 0 0 0 0 0.9509 4.8465 -10.4365 C 0 0 0 0 0 0 0 0 0 2.9505 10.3742 -8.7595 H 0 0 0 0 0 0 0 0 0 2.2044 12.0841 -8.7384 H 0 0 0 0 0 0 0 0 0 3.5846 12.6494 -6.8470 H 0 0 0 0 0 0 0 0 0 4.3209 10.9331 -6.8754 H 0 0 0 0 0 0 0 0 0 3.2793 9.8125 -3.3309 H 0 0 0 0 0 0 0 0 0 4.2891 10.3161 -4.6780 H 0 0 0 0 0 0 0 0 0 2.7815 11.1631 -4.3309 H 0 0 0 0 0 0 0 0 0 2.7006 4.5001 -4.2872 H 0 0 0 0 0 0 0 0 0 0.9939 4.5966 -3.7865 H 0 0 0 0 0 0 0 0 0 2.2281 3.0141 -6.0313 H 0 0 0 0 0 0 0 0 0 0.9578 2.4745 -4.9452 H 0 0 0 0 0 0 0 0 0 -0.7004 3.6516 -6.2439 H 0 0 0 0 0 0 0 0 0 0.8465 2.6956 -10.3637 H 0 0 0 0 0 0 0 0 0 -0.6571 3.4752 -10.8681 H 0 0 0 0 0 0 0 0 0 1.7793 4.9133 -9.7449 H 0 0 0 0 0 0 0 0 0 1.3267 4.8821 -11.4476 H 0 0 0 0 0 0 0 0 0 0.2878 5.6845 -10.2714 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 3 18 2 0 0 0 0 4 11 2 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 12 1 0 0 0 0 5 6 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 18 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 1 0 0 0 15 16 1 0 0 0 0 15 35 1 6 0 0 0 16 17 2 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END > 651079 > K $$$$ 651080 1016 111283D 651080 37 40 1 1 V2000 -1.4305 -1.6144 8.3604 O 0 0 0 0 0 0 0 0 0 -1.6168 -0.4232 8.4497 C 0 0 0 0 0 0 0 0 0 -1.3104 0.3240 9.7309 C 0 0 0 0 0 0 0 0 0 -2.1131 2.4365 8.6743 C 0 0 0 0 0 0 0 0 0 -2.4150 1.7004 7.4075 C 0 0 0 0 0 0 0 0 0 -2.1615 0.3487 7.2890 C 0 0 0 0 0 0 0 0 0 -0.7885 -0.4073 10.8620 N 0 0 0 0 0 0 0 0 0 -1.5045 -1.6379 11.1973 C 0 0 0 0 0 0 0 0 0 -1.6135 -0.4057 12.0670 C 0 0 0 0 0 0 0 0 0 -1.1518 2.4093 11.0679 C 0 0 0 0 0 0 0 0 0 -2.3381 3.6189 8.7801 O 0 0 0 0 0 0 0 0 0 -2.9292 2.0808 6.2289 N 0 0 0 0 0 0 0 0 0 -3.4439 3.2701 5.6336 C 0 0 0 0 0 0 0 0 0 -4.2001 2.6161 4.4552 C 0 0 0 0 0 0 0 0 0 -3.4741 1.3132 4.0697 C 0 0 1 0 0 0 0 0 0 -2.9437 1.0260 5.4350 C 0 0 0 0 0 0 0 0 0 -2.4746 -0.0809 6.0452 N 0 0 0 0 0 0 0 0 0 -1.5142 1.6546 9.8185 C 0 0 0 0 0 0 0 0 0 -4.3063 0.2629 3.6182 O 0 0 0 0 0 0 0 0 0 -3.5239 -0.8295 3.4019 C 0 0 0 0 0 0 0 0 0 -2.5728 -0.7364 2.6625 O 0 0 0 0 0 0 0 0 0 -3.8239 -2.1330 4.0714 C 0 0 0 0 0 0 0 0 0 -4.6971 -3.2567 2.9660 Cl 0 0 0 0 0 0 0 0 0 -2.4139 -1.8768 10.6631 H 0 0 0 0 0 0 0 0 0 -0.9305 -2.4372 11.6431 H 0 0 0 0 0 0 0 0 0 -1.0644 -0.4344 12.9969 H 0 0 0 0 0 0 0 0 0 -2.5628 0.1097 12.0243 H 0 0 0 0 0 0 0 0 0 -1.0078 3.4560 10.8446 H 0 0 0 0 0 0 0 0 0 -1.9489 2.3162 11.7907 H 0 0 0 0 0 0 0 0 0 -0.2373 2.0160 11.4879 H 0 0 0 0 0 0 0 0 0 -4.1017 3.8266 6.2863 H 0 0 0 0 0 0 0 0 0 -2.6314 3.8910 5.2814 H 0 0 0 0 0 0 0 0 0 -5.1891 2.3493 4.7994 H 0 0 0 0 0 0 0 0 0 -4.2912 3.2868 3.6130 H 0 0 0 0 0 0 0 0 0 -2.6562 1.5300 3.3946 H 0 0 0 0 0 0 0 0 0 -2.8888 -2.5789 4.3746 H 0 0 0 0 0 0 0 0 0 -4.4274 -1.9387 4.9442 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 3 18 2 0 0 0 0 4 11 2 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 12 1 0 0 0 0 5 6 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 18 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 1 0 0 0 15 16 1 0 0 0 0 15 35 1 6 0 0 0 16 17 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END > 651080 > K $$$$ 651084 1016 111283D 651084 42 44 1 1 V2000 -7.6479 2.5286 5.0385 O 0 0 0 0 0 0 0 0 0 -6.5134 2.2322 4.7454 C 0 0 0 0 0 0 0 0 0 -5.3517 3.1903 4.9687 C 0 0 0 0 0 0 0 0 0 -3.8415 1.5672 3.8227 C 0 0 0 0 0 0 0 0 0 -4.9611 0.5844 3.7083 C 0 0 0 0 0 0 0 0 0 -6.2339 0.8924 4.1402 C 0 0 0 0 0 0 0 0 0 -5.5382 4.3586 5.6617 N 0 0 0 0 0 0 0 0 0 -2.9898 3.8737 4.5772 C 0 0 0 0 0 0 0 0 0 -2.7388 1.3088 3.4015 O 0 0 0 0 0 0 0 0 0 -5.0266 -0.6639 3.2295 N 0 0 0 0 0 0 0 0 0 -4.1242 -1.5984 2.6464 C 0 0 0 0 0 0 0 0 0 -5.1582 -2.5906 2.0746 C 0 0 0 0 0 0 0 0 0 -6.4873 -2.4752 2.8479 C 0 0 1 0 0 0 0 0 0 -6.2732 -1.0872 3.3569 C 0 0 0 0 0 0 0 0 0 -7.0660 -0.1533 3.9222 N 0 0 0 0 0 0 0 0 0 -4.1279 2.8938 4.4823 C 0 0 0 0 0 0 0 0 0 -7.5861 -2.6000 1.9654 O 0 0 0 0 0 0 0 0 0 -6.4590 4.4659 6.6579 C 0 0 0 0 0 0 0 0 0 -6.9500 3.4706 7.1302 O 0 0 0 0 0 0 0 0 0 -6.8816 5.7972 7.1969 C 0 0 0 0 0 0 0 0 0 -8.7705 -2.3119 2.5722 C 0 0 0 0 0 0 0 0 0 -8.8827 -2.4148 3.7716 O 0 0 0 0 0 0 0 0 0 -9.9499 -1.8613 1.7582 C 0 0 0 0 0 0 0 0 0 -10.3662 -2.7539 0.7359 O 0 0 0 0 0 0 0 0 0 -10.9809 -3.9303 1.2238 C 0 0 0 0 0 0 0 0 0 -5.0048 5.1402 5.4524 H 0 0 0 0 0 0 0 0 0 -2.0612 3.4022 4.2904 H 0 0 0 0 0 0 0 0 0 -3.1782 4.6969 3.9024 H 0 0 0 0 0 0 0 0 0 -2.8930 4.2455 5.5864 H 0 0 0 0 0 0 0 0 0 -3.5043 -1.1615 1.8759 H 0 0 0 0 0 0 0 0 0 -3.5180 -2.0568 3.4162 H 0 0 0 0 0 0 0 0 0 -5.3610 -2.2934 1.0558 H 0 0 0 0 0 0 0 0 0 -4.7821 -3.6032 2.0742 H 0 0 0 0 0 0 0 0 0 -6.5241 -3.1690 3.6769 H 0 0 0 0 0 0 0 0 0 -7.9600 5.8538 7.1859 H 0 0 0 0 0 0 0 0 0 -6.5279 5.8966 8.2116 H 0 0 0 0 0 0 0 0 0 -6.4761 6.5907 6.5884 H 0 0 0 0 0 0 0 0 0 -10.7666 -1.6493 2.4328 H 0 0 0 0 0 0 0 0 0 -9.6578 -0.9341 1.2897 H 0 0 0 0 0 0 0 0 0 -11.4066 -4.4648 0.3872 H 0 0 0 0 0 0 0 0 0 -10.2540 -4.5694 1.7051 H 0 0 0 0 0 0 0 0 0 -11.7736 -3.6969 1.9210 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 3 16 2 0 0 0 0 4 9 2 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 15 1 0 0 0 0 7 18 1 0 0 0 0 7 26 1 0 0 0 0 8 16 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 1 0 0 0 13 14 1 0 0 0 0 13 34 1 6 0 0 0 14 15 2 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END > 651084 > K $$$$ 651714 1016 111283D 651714 87 90 1 1 V2000 14.8725 14.0436 -7.1685 N 0 0 0 0 0 0 0 0 0 15.7241 14.2458 -6.1360 C 0 0 0 0 0 0 0 0 0 15.8645 13.2740 -5.1532 C 0 0 0 0 0 0 0 0 0 15.1230 12.0978 -5.2512 C 0 0 0 0 0 0 0 0 0 14.2570 11.9149 -6.3220 C 0 0 0 0 0 0 0 0 0 14.1425 12.9096 -7.2829 C 0 0 0 0 0 0 0 0 0 16.7306 13.4655 -4.0830 C 0 0 0 0 0 0 0 0 0 16.8600 12.4817 -3.1125 C 0 0 0 0 0 0 0 0 0 16.1248 11.3087 -3.2143 C 0 0 0 0 0 0 0 0 0 15.2507 11.1123 -4.2782 C 0 0 0 0 0 0 0 0 0 14.5211 9.9657 -4.3811 O 0 0 0 0 0 0 0 0 0 13.7253 9.6653 -3.2439 C 0 0 0 0 0 0 0 0 0 12.8450 8.4614 -3.4364 C 0 0 0 0 0 0 0 0 0 12.8555 7.8533 -4.4793 O 0 0 0 0 0 0 0 0 0 12.0212 8.0363 -2.4384 N 0 0 0 0 0 0 0 0 0 11.2498 6.8220 -2.5627 C 0 0 1 0 0 0 0 0 0 10.1924 6.9573 -3.6625 C 0 0 0 0 0 0 0 0 0 9.0610 8.3221 -3.2544 S 0 0 0 0 0 0 0 0 0 7.8716 8.3695 -4.6261 C 0 0 0 0 0 0 0 0 0 12.1224 5.6057 -2.7580 C 0 0 0 0 0 0 0 0 0 13.3247 5.7189 -2.7811 O 0 0 0 0 0 0 0 0 0 11.5959 4.3609 -2.9094 N 0 0 0 0 0 0 0 0 0 12.4533 3.2314 -3.1703 C 0 0 1 0 0 0 0 0 0 11.9129 1.9080 -2.6007 C 0 0 2 0 0 0 0 0 0 10.5627 1.5413 -3.1701 C 0 0 0 0 0 0 0 0 0 9.9921 2.3178 -3.8991 O 0 0 0 0 0 0 0 0 0 9.9341 0.3603 -2.9049 N 0 0 0 0 0 0 0 0 0 10.5635 -0.7054 -2.1699 C 0 0 0 0 0 0 0 0 0 9.5646 -2.1406 -2.6245 S 0 0 0 0 0 0 0 0 0 8.0575 -1.1756 -2.8570 C 0 0 0 0 0 0 0 0 0 8.5811 0.1628 -3.3788 C 0 0 1 0 0 0 0 0 0 7.6274 1.2553 -2.9644 C 0 0 0 0 0 0 0 0 0 7.4506 1.4544 -1.7864 O 0 0 0 0 0 0 0 0 0 6.9691 2.0121 -3.8861 N 0 0 0 0 0 0 0 0 0 5.9937 3.0123 -3.5298 C 0 0 0 0 0 0 0 0 0 5.2729 3.4696 -4.8028 C 0 0 0 0 0 0 0 0 0 4.9349 2.4770 -2.5572 C 0 0 0 0 0 0 0 0 0 6.7336 4.2051 -2.9184 C 0 0 0 0 0 0 0 0 0 13.5336 2.1099 -5.1786 C 0 0 0 0 0 0 0 0 0 14.9076 2.2951 -5.2760 C 0 0 0 0 0 0 0 0 0 15.7191 1.2648 -5.7328 C 0 0 0 0 0 0 0 0 0 15.1592 0.0445 -6.0877 C 0 0 0 0 0 0 0 0 0 13.7873 -0.1452 -5.9858 C 0 0 0 0 0 0 0 0 0 12.9759 0.8867 -5.5337 C 0 0 0 0 0 0 0 0 0 12.6551 3.2280 -4.6918 C 0 0 0 0 0 0 0 0 0 11.8969 1.9380 -1.1844 O 0 0 0 0 0 0 0 0 0 16.2751 15.1391 -6.0847 H 0 0 0 0 0 0 0 0 0 13.6922 11.0328 -6.4067 H 0 0 0 0 0 0 0 0 0 13.4915 12.7847 -8.0979 H 0 0 0 0 0 0 0 0 0 17.2902 14.3513 -4.0028 H 0 0 0 0 0 0 0 0 0 17.5132 12.6234 -2.3019 H 0 0 0 0 0 0 0 0 0 16.2335 10.5656 -2.4816 H 0 0 0 0 0 0 0 0 0 14.3424 9.4600 -2.3828 H 0 0 0 0 0 0 0 0 0 13.0760 10.5007 -3.0244 H 0 0 0 0 0 0 0 0 0 11.9504 8.5580 -1.6244 H 0 0 0 0 0 0 0 0 0 10.7219 6.6590 -1.6345 H 0 0 0 0 0 0 0 0 0 10.6628 7.1512 -4.6154 H 0 0 0 0 0 0 0 0 0 9.6154 6.0477 -3.7394 H 0 0 0 0 0 0 0 0 0 8.3870 8.6027 -5.5463 H 0 0 0 0 0 0 0 0 0 7.3841 7.4102 -4.7184 H 0 0 0 0 0 0 0 0 0 7.1299 9.1300 -4.4302 H 0 0 0 0 0 0 0 0 0 10.6358 4.2361 -2.8482 H 0 0 0 0 0 0 0 0 0 13.4166 3.3878 -2.7019 H 0 0 0 0 0 0 0 0 0 12.6036 1.1276 -2.8807 H 0 0 0 0 0 0 0 0 0 11.5941 -0.8702 -2.4489 H 0 0 0 0 0 0 0 0 0 10.4864 -0.5215 -1.1068 H 0 0 0 0 0 0 0 0 0 7.3783 -1.6426 -3.5555 H 0 0 0 0 0 0 0 0 0 7.5812 -1.0566 -1.8941 H 0 0 0 0 0 0 0 0 0 8.6185 0.1161 -4.4575 H 0 0 0 0 0 0 0 0 0 7.1754 1.8676 -4.8226 H 0 0 0 0 0 0 0 0 0 4.5563 4.2446 -4.5714 H 0 0 0 0 0 0 0 0 0 5.9878 3.8552 -5.5151 H 0 0 0 0 0 0 0 0 0 4.7532 2.6338 -5.2491 H 0 0 0 0 0 0 0 0 0 4.1856 3.2327 -2.3706 H 0 0 0 0 0 0 0 0 0 4.4580 1.6047 -2.9796 H 0 0 0 0 0 0 0 0 0 5.3799 2.2060 -1.6119 H 0 0 0 0 0 0 0 0 0 7.4705 4.5729 -3.6176 H 0 0 0 0 0 0 0 0 0 6.0390 4.9989 -2.6851 H 0 0 0 0 0 0 0 0 0 7.2371 3.9015 -2.0121 H 0 0 0 0 0 0 0 0 0 15.3366 3.2158 -5.0056 H 0 0 0 0 0 0 0 0 0 16.7566 1.4094 -5.8100 H 0 0 0 0 0 0 0 0 0 15.7731 -0.7346 -6.4331 H 0 0 0 0 0 0 0 0 0 13.3630 -1.0688 -6.2510 H 0 0 0 0 0 0 0 0 0 11.9383 0.7377 -5.4624 H 0 0 0 0 0 0 0 0 0 11.6953 3.1661 -5.1830 H 0 0 0 0 0 0 0 0 0 13.1015 4.1710 -4.9747 H 0 0 0 0 0 0 0 0 0 11.2879 2.6100 -0.8916 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 48 1 0 0 0 0 6 49 1 0 0 0 0 7 8 2 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 51 1 0 0 0 0 9 10 2 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 1 0 0 0 16 20 1 6 0 0 0 16 56 1 0 0 0 0 17 18 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 6 0 0 0 23 45 1 1 0 0 0 23 63 1 0 0 0 0 24 46 1 1 0 0 0 24 25 1 6 0 0 0 24 64 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 6 0 0 0 31 69 1 1 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 45 1 0 0 0 0 39 40 2 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 40 80 1 0 0 0 0 41 42 2 0 0 0 0 41 81 1 0 0 0 0 42 43 1 0 0 0 0 42 82 1 0 0 0 0 43 44 2 0 0 0 0 43 83 1 0 0 0 0 44 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 46 87 1 0 0 0 0 M END > 651714 > K $$$$ 652174 1016 111283D 652174 41 43 0 1 V2000 -5.3096 1.2624 6.6902 C 0 0 0 0 0 0 0 0 0 -4.0823 1.1946 6.0444 C 0 0 0 0 0 0 0 0 0 -4.0102 0.8071 4.7117 C 0 0 0 0 0 0 0 0 0 -5.1777 0.5222 4.0097 C 0 0 0 0 0 0 0 0 0 -6.4066 0.5955 4.6589 C 0 0 0 0 0 0 0 0 0 -6.4738 0.9593 5.9977 C 0 0 0 0 0 0 0 0 0 -1.3301 -1.0945 1.4911 C 0 0 0 0 0 0 0 0 0 -2.2817 -2.1542 1.9229 C 0 0 0 0 0 0 0 0 0 -2.9352 -1.4676 3.0651 C 0 0 0 0 0 0 0 0 0 -2.3388 -0.2500 3.1364 N 0 0 0 0 0 0 0 0 0 -2.6622 0.7064 4.0499 C 0 0 0 0 0 0 0 0 0 -1.8200 1.5196 4.3496 O 0 0 0 0 0 0 0 0 0 -1.4335 -0.1026 2.2532 N 0 0 0 0 0 0 0 0 0 -5.0953 0.1799 2.6951 O 0 0 0 0 0 0 0 0 0 -3.8047 -1.8867 3.7917 O 0 0 0 0 0 0 0 0 0 -2.4428 -3.3734 1.3858 C 0 0 0 0 0 0 0 0 0 -0.3941 -1.1890 0.3256 C 0 0 0 0 0 0 0 0 0 -3.2825 -5.7021 1.6206 C 0 0 0 0 0 0 0 0 0 -3.5424 -4.3423 1.7371 C 0 0 0 0 0 0 0 0 0 -4.8013 -3.9325 2.1648 C 0 0 0 0 0 0 0 0 0 -5.7810 -4.8683 2.4756 C 0 0 0 0 0 0 0 0 0 -5.5182 -6.2306 2.3614 C 0 0 0 0 0 0 0 0 0 -4.2614 -6.6351 1.9345 C 0 0 0 0 0 0 0 0 0 -6.4037 -7.2323 2.6358 O 0 0 0 0 0 0 0 0 0 -7.6754 -6.8945 3.1525 C 0 0 0 0 0 0 0 0 0 -5.3573 1.5420 7.7020 H 0 0 0 0 0 0 0 0 0 -3.2040 1.4343 6.5683 H 0 0 0 0 0 0 0 0 0 -7.2907 0.3752 4.1371 H 0 0 0 0 0 0 0 0 0 -7.4034 1.0059 6.4860 H 0 0 0 0 0 0 0 0 0 -5.9600 0.0446 2.3224 H 0 0 0 0 0 0 0 0 0 -1.7447 -3.6786 0.6627 H 0 0 0 0 0 0 0 0 0 0.2132 -0.2979 0.2735 H 0 0 0 0 0 0 0 0 0 0.2416 -2.0536 0.4433 H 0 0 0 0 0 0 0 0 0 -0.9678 -1.2820 -0.5852 H 0 0 0 0 0 0 0 0 0 -2.3407 -6.0335 1.2959 H 0 0 0 0 0 0 0 0 0 -5.0265 -2.9115 2.2538 H 0 0 0 0 0 0 0 0 0 -6.7222 -4.5345 2.7967 H 0 0 0 0 0 0 0 0 0 -4.0563 -7.6612 1.8511 H 0 0 0 0 0 0 0 0 0 -7.5832 -6.3317 4.0709 H 0 0 0 0 0 0 0 0 0 -8.2437 -6.3294 2.4275 H 0 0 0 0 0 0 0 0 0 -8.2043 -7.8120 3.3655 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 11 1 0 0 0 0 3 4 1 0 0 0 0 4 14 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 13 2 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 15 2 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 14 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END > 652174 > K $$$$ 652287 1016 111283D 652287 31 33 0 1 V2000 1.6613 -0.1898 0.6210 S 0 0 0 0 0 0 0 0 0 1.7639 -1.6514 -0.3985 C 0 0 0 0 0 0 0 0 0 2.8749 -1.4097 -1.1401 C 0 0 0 0 0 0 0 0 0 3.5703 -0.2367 -0.9496 C 0 0 0 0 0 0 0 0 0 3.1048 0.6565 -0.0015 C 0 0 0 0 0 0 0 0 0 4.7605 2.5384 -0.1221 O 0 0 0 0 0 0 0 0 0 3.6547 1.9617 0.3906 C 0 0 0 0 0 0 0 0 0 3.1328 2.7971 1.3362 C 0 0 0 0 0 0 0 0 0 3.9648 3.9245 1.3909 C 0 0 0 0 0 0 0 0 0 4.9601 3.7301 0.4764 C 0 0 0 0 0 0 0 0 0 7.4010 4.4973 -0.9758 S 0 0 0 0 0 0 0 0 0 6.0615 4.6608 0.1932 C 0 0 0 0 0 0 0 0 0 6.3309 5.8922 0.7627 C 0 0 0 0 0 0 0 0 0 7.4365 6.5870 0.3259 C 0 0 0 0 0 0 0 0 0 8.2211 6.0470 -0.6414 C 0 0 0 0 0 0 0 0 0 0.8500 -2.8493 -0.4280 C 0 0 0 0 0 0 0 0 0 9.4674 6.6122 -1.2726 C 0 0 0 0 0 0 0 0 0 10.5941 6.3253 -0.4419 O 0 0 0 0 0 0 0 0 0 0.5146 -3.1595 -1.7820 O 0 0 0 0 0 0 0 0 0 3.2100 -2.1300 -1.8717 H 0 0 0 0 0 0 0 0 0 4.4575 -0.0195 -1.5260 H 0 0 0 0 0 0 0 0 0 2.2472 2.6228 1.9294 H 0 0 0 0 0 0 0 0 0 3.8419 4.7834 2.0340 H 0 0 0 0 0 0 0 0 0 5.6897 6.2989 1.5308 H 0 0 0 0 0 0 0 0 0 7.6770 7.5514 0.7484 H 0 0 0 0 0 0 0 0 0 1.3543 -3.7023 0.0261 H 0 0 0 0 0 0 0 0 0 -0.0597 -2.6260 0.1296 H 0 0 0 0 0 0 0 0 0 9.6148 6.1606 -2.2536 H 0 0 0 0 0 0 0 0 0 9.3619 7.6916 -1.3816 H 0 0 0 0 0 0 0 0 0 11.3685 6.7032 -0.8808 H 0 0 0 0 0 0 0 0 0 -0.0697 -3.9296 -1.7558 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 16 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > 652287 > K $$$$ 653000 1016 111283D 653000 87 87 0 1 V2000 -17.0596 -14.0498 6.5501 C 0 0 0 0 0 0 0 0 0 -18.1983 -14.3438 5.8928 N 0 0 0 0 0 0 0 0 0 -18.2276 -15.3604 5.0080 C 0 0 0 0 0 0 0 0 0 -17.1696 -16.1908 4.9329 N 0 0 0 0 0 0 0 0 0 -16.0205 -15.8902 5.5660 C 0 0 0 0 0 0 0 0 0 -15.9447 -14.7708 6.3121 N 0 0 0 0 0 0 0 0 0 -14.9477 -16.7197 5.4474 N 0 0 0 0 0 0 0 0 0 -19.3089 -15.5515 4.1996 N 0 0 0 0 0 0 0 0 0 -17.0317 -13.0269 7.4476 N 0 0 0 0 0 0 0 0 0 -15.1399 -18.1339 5.2759 C 0 0 0 0 0 0 0 0 0 -13.6192 -16.1767 5.4916 C 0 0 0 0 0 0 0 0 0 -13.5278 -15.2240 4.3953 N 0 0 0 0 0 0 0 0 0 -14.8937 -18.4579 3.8811 N 0 0 0 0 0 0 0 0 0 -14.8684 -19.8779 3.5437 C 0 0 0 0 0 0 0 0 0 -16.2180 -20.5773 3.7122 C 0 0 0 0 0 0 0 0 0 -17.1735 -19.9681 2.8719 O 0 0 0 0 0 0 0 0 0 -12.3305 -14.3930 4.3415 C 0 0 0 0 0 0 0 0 0 -11.0966 -15.1740 3.8974 C 0 0 0 0 0 0 0 0 0 -10.0071 -14.2836 3.8072 O 0 0 0 0 0 0 0 0 0 -19.4066 -16.7099 3.3535 C 0 0 0 0 0 0 0 0 0 -20.5016 -17.5005 3.8971 N 0 0 0 0 0 0 0 0 0 -21.2412 -18.2985 2.9278 C 0 0 0 0 0 0 0 0 0 -22.6870 -18.4827 3.3757 C 0 0 0 0 0 0 0 0 0 -23.3489 -19.2468 2.3917 O 0 0 0 0 0 0 0 0 0 -20.3919 -14.6033 4.1581 C 0 0 0 0 0 0 0 0 0 -20.1785 -13.8046 2.9605 N 0 0 0 0 0 0 0 0 0 -21.2536 -12.8883 2.5982 C 0 0 0 0 0 0 0 0 0 -21.0152 -12.3526 1.1896 C 0 0 0 0 0 0 0 0 0 -22.0021 -11.3921 0.8848 O 0 0 0 0 0 0 0 0 0 -15.8333 -12.2484 7.6063 C 0 0 0 0 0 0 0 0 0 -15.6432 -11.4421 6.4080 N 0 0 0 0 0 0 0 0 0 -15.1502 -12.1498 5.2305 C 0 0 0 0 0 0 0 0 0 -14.5265 -11.2072 4.2079 C 0 0 0 0 0 0 0 0 0 -13.3407 -10.6481 4.7283 O 0 0 0 0 0 0 0 0 0 -18.1854 -12.7077 8.2469 C 0 0 0 0 0 0 0 0 0 -18.6316 -11.3549 7.9502 N 0 0 0 0 0 0 0 0 0 -19.3191 -11.1923 6.6767 C 0 0 0 0 0 0 0 0 0 -20.7563 -11.7108 6.7407 C 0 0 0 0 0 0 0 0 0 -21.4865 -10.9533 7.6812 O 0 0 0 0 0 0 0 0 0 -14.4487 -18.6702 5.9117 H 0 0 0 0 0 0 0 0 0 -16.1445 -18.4221 5.5573 H 0 0 0 0 0 0 0 0 0 -13.4508 -15.6883 6.4422 H 0 0 0 0 0 0 0 0 0 -12.8818 -16.9569 5.3577 H 0 0 0 0 0 0 0 0 0 -13.7405 -15.6553 3.5166 H 0 0 0 0 0 0 0 0 0 -15.5304 -17.9562 3.2923 H 0 0 0 0 0 0 0 0 0 -14.5752 -19.9737 2.5080 H 0 0 0 0 0 0 0 0 0 -14.1305 -20.3833 4.1506 H 0 0 0 0 0 0 0 0 0 -16.1048 -21.6194 3.4459 H 0 0 0 0 0 0 0 0 0 -16.5362 -20.5165 4.7434 H 0 0 0 0 0 0 0 0 0 -17.9823 -20.4689 2.9059 H 0 0 0 0 0 0 0 0 0 -12.4934 -13.5945 3.6317 H 0 0 0 0 0 0 0 0 0 -12.1406 -13.9468 5.3077 H 0 0 0 0 0 0 0 0 0 -10.8822 -15.9505 4.6178 H 0 0 0 0 0 0 0 0 0 -11.2893 -15.6233 2.9330 H 0 0 0 0 0 0 0 0 0 -9.2342 -14.7674 3.5345 H 0 0 0 0 0 0 0 0 0 -19.6241 -16.3721 2.3489 H 0 0 0 0 0 0 0 0 0 -18.5023 -17.3040 3.3213 H 0 0 0 0 0 0 0 0 0 -20.2162 -18.0252 4.7020 H 0 0 0 0 0 0 0 0 0 -21.2797 -17.7986 1.9707 H 0 0 0 0 0 0 0 0 0 -20.7701 -19.2625 2.7985 H 0 0 0 0 0 0 0 0 0 -22.7150 -18.9863 4.3318 H 0 0 0 0 0 0 0 0 0 -23.1534 -17.5109 3.4695 H 0 0 0 0 0 0 0 0 0 -24.2662 -19.3340 2.6298 H 0 0 0 0 0 0 0 0 0 -21.3398 -15.1206 4.0879 H 0 0 0 0 0 0 0 0 0 -20.4145 -13.9727 5.0350 H 0 0 0 0 0 0 0 0 0 -19.2915 -13.3418 2.9988 H 0 0 0 0 0 0 0 0 0 -22.2078 -13.3968 2.6066 H 0 0 0 0 0 0 0 0 0 -21.2922 -12.0579 3.2888 H 0 0 0 0 0 0 0 0 0 -20.0334 -11.9022 1.1385 H 0 0 0 0 0 0 0 0 0 -21.0641 -13.1771 0.4914 H 0 0 0 0 0 0 0 0 0 -21.8749 -11.0946 -0.0112 H 0 0 0 0 0 0 0 0 0 -15.9313 -11.5749 8.4473 H 0 0 0 0 0 0 0 0 0 -14.9749 -12.8822 7.7850 H 0 0 0 0 0 0 0 0 0 -16.4592 -10.8972 6.2080 H 0 0 0 0 0 0 0 0 0 -14.3949 -12.8655 5.5201 H 0 0 0 0 0 0 0 0 0 -15.9652 -12.6703 4.7487 H 0 0 0 0 0 0 0 0 0 -14.2945 -11.7771 3.3187 H 0 0 0 0 0 0 0 0 0 -15.2372 -10.4313 3.9606 H 0 0 0 0 0 0 0 0 0 -12.9736 -10.0499 4.0865 H 0 0 0 0 0 0 0 0 0 -18.9839 -13.4239 8.1076 H 0 0 0 0 0 0 0 0 0 -17.8943 -12.7581 9.2870 H 0 0 0 0 0 0 0 0 0 -19.1824 -10.9716 8.6947 H 0 0 0 0 0 0 0 0 0 -19.3501 -10.1390 6.4402 H 0 0 0 0 0 0 0 0 0 -18.7782 -11.7048 5.8942 H 0 0 0 0 0 0 0 0 0 -21.2077 -11.6207 5.7628 H 0 0 0 0 0 0 0 0 0 -20.7574 -12.7510 7.0333 H 0 0 0 0 0 0 0 0 0 -22.3607 -11.3199 7.7660 H 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 9 30 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 17 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 32 1 0 0 0 0 31 74 1 0 0 0 0 32 33 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 34 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 34 79 1 0 0 0 0 35 36 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 37 1 0 0 0 0 36 82 1 0 0 0 0 37 38 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 39 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 M END > 653000 > K $$$$ 653010 1016 111283D 653010 36 38 1 2 V2000 8.5453 1.7969 2.6466 C 0 0 0 0 0 0 0 0 0 8.3816 2.3892 1.4046 C 0 0 0 0 0 0 0 0 0 7.4168 1.9606 0.5630 N 0 0 0 0 0 0 0 0 0 6.6007 0.9478 0.9205 C 0 0 0 0 0 0 0 0 0 6.7280 0.3702 2.1346 N 0 0 0 0 0 0 0 0 0 7.6902 0.7628 2.9987 C 0 0 0 0 0 0 0 0 0 7.8157 0.0744 4.3244 C 0 0 0 0 0 0 0 0 0 9.1981 3.4047 1.0368 O 0 0 0 0 0 0 0 0 0 5.6519 0.5102 0.0584 N 0 0 0 0 0 0 0 0 0 4.7495 -0.6181 0.4474 N 0 0 0 0 0 0 0 0 0 5.3237 -1.9343 0.1232 C 0 0 1 0 0 0 0 0 0 4.5674 -3.5329 1.9365 C 0 0 0 0 0 0 0 0 0 4.8356 -4.2990 3.0636 C 0 0 0 0 0 0 0 0 0 6.1117 -4.3077 3.6111 C 0 0 0 0 0 0 0 0 0 7.1191 -3.5471 3.0312 C 0 0 0 0 0 0 0 0 0 6.8474 -2.7829 1.9042 C 0 0 0 0 0 0 0 0 0 5.5733 -2.7727 1.3480 C 0 0 0 0 0 0 0 0 0 4.0413 -2.0888 -0.5943 C 0 0 0 0 0 0 0 0 0 3.4874 -0.7511 -0.3016 C 0 0 1 0 0 0 0 0 0 2.0361 -0.7710 0.7636 Cl 0 0 0 0 0 0 0 0 0 3.5948 -3.0206 -1.2214 O 0 0 0 0 0 0 0 0 0 8.3744 -3.5335 3.5455 N 0 3 0 0 0 0 0 0 0 9.3911 -2.7056 2.9054 O 0 5 0 0 0 0 0 0 0 8.6709 -4.2144 4.5522 O 0 0 0 0 0 0 0 0 0 9.2999 2.1291 3.2953 H 0 0 0 0 0 0 0 0 0 7.1976 0.5838 5.0494 H 0 0 0 0 0 0 0 0 0 7.4840 -0.9484 4.2318 H 0 0 0 0 0 0 0 0 0 8.8435 0.0817 4.6569 H 0 0 0 0 0 0 0 0 0 8.9626 3.6648 0.1534 H 0 0 0 0 0 0 0 0 0 5.5767 0.9425 -0.8073 H 0 0 0 0 0 0 0 0 0 6.1573 -1.8846 -0.5620 H 0 0 0 0 0 0 0 0 0 3.5967 -3.5347 1.5333 H 0 0 0 0 0 0 0 0 0 4.0714 -4.8722 3.5017 H 0 0 0 0 0 0 0 0 0 6.3137 -4.8887 4.4625 H 0 0 0 0 0 0 0 0 0 7.6193 -2.2116 1.4758 H 0 0 0 0 0 0 0 0 0 3.4084 -0.1301 -1.1810 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 9 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 19 1 0 0 0 0 10 11 1 0 0 0 0 11 18 1 6 0 0 0 11 17 1 1 0 0 0 11 31 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 22 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 18 21 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 6 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 M CHG 2 22 1 23 -1 M END > 653010 > K $$$$ 653012 1016 111283D 653012 34 36 1 1 V2000 3.6766 2.2346 4.7529 C 0 0 0 0 0 0 0 0 0 3.7019 3.2316 3.7905 C 0 0 0 0 0 0 0 0 0 3.9486 2.9345 2.4970 N 0 0 0 0 0 0 0 0 0 4.1761 1.6589 2.1239 C 0 0 0 0 0 0 0 0 0 4.1595 0.6725 3.0462 N 0 0 0 0 0 0 0 0 0 3.9138 0.9291 4.3494 C 0 0 0 0 0 0 0 0 0 3.9010 -0.1985 5.3371 C 0 0 0 0 0 0 0 0 0 3.4766 4.5147 4.1566 O 0 0 0 0 0 0 0 0 0 4.4224 1.3667 0.8241 N 0 0 0 0 0 0 0 0 0 4.6794 -0.0483 0.4039 N 0 0 0 0 0 0 0 0 0 5.9997 -0.5277 0.8556 C 0 0 1 0 0 0 0 0 0 7.1690 -2.5396 1.7772 C 0 0 0 0 0 0 0 0 0 7.1716 -3.7389 2.4781 C 0 0 0 0 0 0 0 0 0 5.9898 -4.2302 3.0171 C 0 0 0 0 0 0 0 0 0 4.8067 -3.5218 2.8541 C 0 0 0 0 0 0 0 0 0 4.8053 -2.3234 2.1528 C 0 0 0 0 0 0 0 0 0 5.9868 -1.8266 1.6129 C 0 0 0 0 0 0 0 0 0 6.2185 -0.6742 -0.5974 C 0 0 0 0 0 0 0 0 0 4.8730 -0.2585 -1.0422 C 0 0 1 0 0 0 0 0 0 3.8757 -1.6095 -1.6923 Cl 0 0 0 0 0 0 0 0 0 7.1938 -1.0225 -1.2211 O 0 0 0 0 0 0 0 0 0 3.3249 -4.1356 3.5292 Cl 0 0 0 0 0 0 0 0 0 3.4826 2.4725 5.7563 H 0 0 0 0 0 0 0 0 0 2.9071 -0.3069 5.7462 H 0 0 0 0 0 0 0 0 0 4.1835 -1.1177 4.8447 H 0 0 0 0 0 0 0 0 0 4.6001 0.0064 6.1346 H 0 0 0 0 0 0 0 0 0 3.5337 5.0562 3.3769 H 0 0 0 0 0 0 0 0 0 4.4272 2.0924 0.1795 H 0 0 0 0 0 0 0 0 0 6.6244 0.2370 1.2934 H 0 0 0 0 0 0 0 0 0 8.0664 -2.1733 1.3706 H 0 0 0 0 0 0 0 0 0 8.0675 -4.2741 2.6005 H 0 0 0 0 0 0 0 0 0 5.9894 -5.1368 3.5474 H 0 0 0 0 0 0 0 0 0 3.9044 -1.7962 2.0338 H 0 0 0 0 0 0 0 0 0 4.8802 0.6382 -1.6429 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 9 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 19 1 0 0 0 0 10 11 1 0 0 0 0 11 18 1 6 0 0 0 11 17 1 1 0 0 0 11 29 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 22 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 18 21 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 6 0 0 0 M END > 653012 > K $$$$ 653016 1016 111283D 653016 41 44 1 1 V2000 4.6815 2.2701 -2.7722 C 0 0 0 0 0 0 0 0 0 4.7814 0.8963 -2.9226 C 0 0 0 0 0 0 0 0 0 4.3351 0.0693 -1.9556 N 0 0 0 0 0 0 0 0 0 3.7822 0.5662 -0.8303 C 0 0 0 0 0 0 0 0 0 3.6670 1.9020 -0.6660 N 0 0 0 0 0 0 0 0 0 4.1156 2.7639 -1.6060 C 0 0 0 0 0 0 0 0 0 3.9951 4.2409 -1.3763 C 0 0 0 0 0 0 0 0 0 5.3316 0.3861 -4.0486 O 0 0 0 0 0 0 0 0 0 3.3417 -0.2703 0.1393 N 0 0 0 0 0 0 0 0 0 3.4702 -1.7559 -0.0147 N 0 0 0 0 0 0 0 0 0 4.8646 -2.2362 0.0109 C 0 0 1 0 0 0 0 0 0 4.3392 -3.1031 1.0858 C 0 0 0 0 0 0 0 0 0 2.9447 -2.6160 1.0653 C 0 0 1 0 0 0 0 0 0 2.4677 -1.7987 2.5994 Cl 0 0 0 0 0 0 0 0 0 4.8837 -3.9425 1.7652 O 0 0 0 0 0 0 0 0 0 5.2938 -2.8956 -1.2820 C 0 0 0 0 0 0 0 0 0 4.5606 -3.9950 -1.7236 C 0 0 0 0 0 0 0 0 0 4.9122 -4.6506 -2.8962 C 0 0 0 0 0 0 0 0 0 5.9901 -4.2064 -3.6447 C 0 0 0 0 0 0 0 0 0 6.7225 -3.1073 -3.2174 C 0 0 0 0 0 0 0 0 0 6.3819 -2.4436 -2.0356 C 0 0 0 0 0 0 0 0 0 7.1544 -1.3455 -1.6579 C 0 0 0 0 0 0 0 0 0 8.2314 -0.9244 -2.4265 C 0 0 0 0 0 0 0 0 0 8.5557 -1.5935 -3.5968 C 0 0 0 0 0 0 0 0 0 7.7982 -2.6860 -3.9909 C 0 0 0 0 0 0 0 0 0 3.4940 -4.4227 -0.9949 O 0 0 0 0 0 0 0 0 0 5.0284 2.9116 -3.5259 H 0 0 0 0 0 0 0 0 0 3.1236 4.6157 -1.8937 H 0 0 0 0 0 0 0 0 0 3.8913 4.4368 -0.3189 H 0 0 0 0 0 0 0 0 0 4.8758 4.7464 -1.7450 H 0 0 0 0 0 0 0 0 0 5.3147 -0.5624 -3.9723 H 0 0 0 0 0 0 0 0 0 2.9413 0.1185 0.9333 H 0 0 0 0 0 0 0 0 0 5.5495 -1.5310 0.4504 H 0 0 0 0 0 0 0 0 0 2.2519 -3.3703 0.7227 H 0 0 0 0 0 0 0 0 0 4.3623 -5.4844 -3.2190 H 0 0 0 0 0 0 0 0 0 6.2468 -4.7054 -4.5333 H 0 0 0 0 0 0 0 0 0 6.9459 -0.8057 -0.7850 H 0 0 0 0 0 0 0 0 0 8.8029 -0.0970 -2.1222 H 0 0 0 0 0 0 0 0 0 9.3692 -1.2754 -4.1806 H 0 0 0 0 0 0 0 0 0 8.0454 -3.1910 -4.8788 H 0 0 0 0 0 0 0 0 0 3.1113 -5.2067 -1.3751 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 27 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 9 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 16 1 6 0 0 0 11 33 1 0 0 0 0 12 15 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 34 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 26 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END > 653016 > K $$$$ 653558 1016 111283D 653558 56 55 0 1 V2000 -8.5069 -2.1770 -12.7653 Ge 0 0 0 0 0 0 0 0 0 -9.8202 -2.7436 -11.7393 C 0 0 0 0 0 0 0 0 0 -10.1389 -2.0762 -10.3785 C 0 0 0 0 0 0 0 0 0 -8.9074 -0.8205 -13.8070 C 0 0 0 0 0 0 0 0 0 -6.8306 -2.2678 -13.3938 C 0 0 0 0 0 0 0 0 0 -6.2929 -3.4595 -14.2398 C 0 0 0 0 0 0 0 0 0 -8.4953 0.6219 -13.4296 C 0 0 0 0 0 0 0 0 0 -7.5548 -3.3335 -12.1517 O 0 0 0 0 0 0 0 0 0 -7.4018 -3.1269 -10.8285 C 0 0 0 0 0 0 0 0 0 -7.2643 -2.0101 -10.4027 O 0 0 0 0 0 0 0 0 0 -7.4230 -4.3231 -9.9242 C 0 0 0 0 0 0 0 0 0 -6.9443 -4.1310 -8.4638 C 0 0 0 0 0 0 0 0 0 -7.0859 -5.2831 -7.5163 C 0 0 0 0 0 0 0 0 0 -7.4103 -6.3764 -7.9100 O 0 0 0 0 0 0 0 0 0 -6.8234 -5.0135 -6.2112 O 0 0 0 0 0 0 0 0 0 -7.0442 -6.3165 -5.2638 Ge 0 0 0 0 0 0 0 0 0 -8.7796 -6.1461 -5.5421 C 0 0 0 0 0 0 0 0 0 -9.7125 -5.9338 -4.3247 C 0 0 0 0 0 0 0 0 0 -6.6212 -7.6687 -4.2125 C 0 0 0 0 0 0 0 0 0 -7.1069 -7.7464 -2.7466 C 0 0 0 0 0 0 0 0 0 -5.3464 -5.7456 -5.5113 C 0 0 0 0 0 0 0 0 0 -4.0527 -6.3025 -4.8616 C 0 0 0 0 0 0 0 0 0 -10.6988 -2.6100 -12.3477 H 0 0 0 0 0 0 0 0 0 -9.6611 -3.8081 -11.6376 H 0 0 0 0 0 0 0 0 0 -9.3257 -2.1186 -9.6696 H 0 0 0 0 0 0 0 0 0 -10.3977 -1.0345 -10.5099 H 0 0 0 0 0 0 0 0 0 -10.9711 -2.5893 -9.9188 H 0 0 0 0 0 0 0 0 0 -8.6076 -1.0514 -14.8183 H 0 0 0 0 0 0 0 0 0 -9.9827 -0.8172 -13.8086 H 0 0 0 0 0 0 0 0 0 -6.7049 -1.4608 -14.0925 H 0 0 0 0 0 0 0 0 0 -6.1087 -2.0252 -12.6284 H 0 0 0 0 0 0 0 0 0 -6.9644 -3.7378 -15.0360 H 0 0 0 0 0 0 0 0 0 -5.3216 -3.2459 -14.6596 H 0 0 0 0 0 0 0 0 0 -6.1775 -4.3236 -13.6066 H 0 0 0 0 0 0 0 0 0 -8.8344 1.3045 -14.1967 H 0 0 0 0 0 0 0 0 0 -8.9282 0.9388 -12.4898 H 0 0 0 0 0 0 0 0 0 -7.4227 0.7161 -13.3577 H 0 0 0 0 0 0 0 0 0 -8.4523 -4.6395 -9.9119 H 0 0 0 0 0 0 0 0 0 -6.8462 -5.0813 -10.4315 H 0 0 0 0 0 0 0 0 0 -5.8950 -3.8817 -8.4480 H 0 0 0 0 0 0 0 0 0 -7.4903 -3.3219 -8.0035 H 0 0 0 0 0 0 0 0 0 -8.9737 -5.2811 -6.1554 H 0 0 0 0 0 0 0 0 0 -9.0661 -7.0488 -6.0637 H 0 0 0 0 0 0 0 0 0 -10.7281 -5.8253 -4.6775 H 0 0 0 0 0 0 0 0 0 -9.7076 -6.7727 -3.6454 H 0 0 0 0 0 0 0 0 0 -9.4467 -5.0304 -3.7852 H 0 0 0 0 0 0 0 0 0 -7.0717 -8.5053 -4.7242 H 0 0 0 0 0 0 0 0 0 -5.5754 -7.8970 -4.2063 H 0 0 0 0 0 0 0 0 0 -6.6966 -8.6348 -2.2851 H 0 0 0 0 0 0 0 0 0 -6.7947 -6.8895 -2.1613 H 0 0 0 0 0 0 0 0 0 -8.1808 -7.8496 -2.6957 H 0 0 0 0 0 0 0 0 0 -5.0550 -5.8134 -6.5503 H 0 0 0 0 0 0 0 0 0 -5.2819 -4.7190 -5.1488 H 0 0 0 0 0 0 0 0 0 -3.8378 -7.3085 -5.1934 H 0 0 0 0 0 0 0 0 0 -3.2113 -5.6906 -5.1627 H 0 0 0 0 0 0 0 0 0 -4.1150 -6.2825 -3.7822 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 M END > 653558 > K $$$$ 654259 1016 111283D 654259 51 53 0 1 V2000 16.5773 -14.3470 -8.3602 C 0 0 0 0 0 0 0 0 0 15.2278 -14.5033 -8.0781 C 0 0 0 0 0 0 0 0 0 14.4518 -13.4157 -7.6853 C 0 0 0 0 0 0 0 0 0 15.0374 -12.1524 -7.5718 C 0 0 0 0 0 0 0 0 0 16.3960 -12.0124 -7.8407 C 0 0 0 0 0 0 0 0 0 17.1637 -13.0962 -8.2426 C 0 0 0 0 0 0 0 0 0 12.9823 -13.6029 -7.3867 C 0 0 0 0 0 0 0 0 0 12.2823 -12.6232 -7.3192 O 0 0 0 0 0 0 0 0 0 12.3996 -14.8168 -7.1897 N 0 0 0 0 0 0 0 0 0 11.1395 -14.9706 -6.7114 C 0 0 0 0 0 0 0 0 0 10.6687 -16.0770 -6.8014 O 0 0 0 0 0 0 0 0 0 10.4331 -13.9500 -6.1537 N 0 0 0 0 0 0 0 0 0 9.0860 -13.9153 -5.9281 C 0 0 0 0 0 0 0 0 0 8.2107 -14.9590 -6.2117 C 0 0 0 0 0 0 0 0 0 6.8547 -14.8282 -5.9410 C 0 0 0 0 0 0 0 0 0 6.3452 -13.6524 -5.3986 C 0 0 0 0 0 0 0 0 0 7.2138 -12.6063 -5.1145 C 0 0 0 0 0 0 0 0 0 8.5706 -12.7463 -5.3782 C 0 0 0 0 0 0 0 0 0 5.0155 -13.5036 -5.1350 O 0 0 0 0 0 0 0 0 0 14.2907 -11.0675 -7.1942 N 0 0 0 0 0 0 0 0 0 14.3958 -9.7779 -7.6261 C 0 0 0 0 0 0 0 0 0 13.7093 -8.9724 -7.0458 O 0 0 0 0 0 0 0 0 0 15.2683 -9.2729 -8.7464 C 0 0 0 0 0 0 0 0 0 16.3897 -8.4643 -8.2725 N 0 0 0 0 0 0 0 0 0 6.6927 -11.3269 -4.5249 C 0 0 0 0 0 0 0 0 0 4.1607 -13.8426 -6.1405 C 0 0 0 0 0 0 0 0 0 2.8401 -13.9413 -5.8692 N 0 0 0 0 0 0 0 0 0 1.9473 -14.2987 -6.8211 C 0 0 0 0 0 0 0 0 0 2.3764 -14.5626 -8.1132 C 0 0 0 0 0 0 0 0 0 4.5856 -14.0808 -7.4054 N 0 0 0 0 0 0 0 0 0 3.7293 -14.4368 -8.3886 C 0 0 0 0 0 0 0 0 0 1.1479 -15.0816 -9.4686 Br 0 0 0 0 0 0 0 0 0 17.1532 -15.1728 -8.6614 H 0 0 0 0 0 0 0 0 0 14.8059 -15.4593 -8.1705 H 0 0 0 0 0 0 0 0 0 16.8600 -11.0788 -7.7385 H 0 0 0 0 0 0 0 0 0 18.1849 -12.9697 -8.4562 H 0 0 0 0 0 0 0 0 0 12.8823 -15.6268 -7.3946 H 0 0 0 0 0 0 0 0 0 10.9358 -13.1672 -5.8905 H 0 0 0 0 0 0 0 0 0 8.5575 -15.8550 -6.6313 H 0 0 0 0 0 0 0 0 0 6.2062 -15.6276 -6.1488 H 0 0 0 0 0 0 0 0 0 9.2214 -11.9516 -5.1592 H 0 0 0 0 0 0 0 0 0 13.5878 -11.2034 -6.5407 H 0 0 0 0 0 0 0 0 0 15.6143 -10.0941 -9.3548 H 0 0 0 0 0 0 0 0 0 14.6468 -8.6447 -9.3674 H 0 0 0 0 0 0 0 0 0 16.9070 -8.8901 -7.5295 H 0 0 0 0 0 0 0 0 0 16.9960 -8.1743 -9.0138 H 0 0 0 0 0 0 0 0 0 6.5563 -11.4572 -3.4613 H 0 0 0 0 0 0 0 0 0 7.3909 -10.5197 -4.6945 H 0 0 0 0 0 0 0 0 0 5.7455 -11.0701 -4.9761 H 0 0 0 0 0 0 0 0 0 0.9278 -14.3766 -6.5810 H 0 0 0 0 0 0 0 0 0 4.0896 -14.6177 -9.3586 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 18 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 17 1 0 0 0 0 17 25 1 0 0 0 0 17 18 2 0 0 0 0 18 41 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 32 1 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 31 51 1 0 0 0 0 M END > 654259 > K $$$$ 654705 1016 111283D 654705 35 36 0 1 V2000 -2.1676 1.0836 -1.3604 C 0 0 0 0 0 0 0 0 0 -2.1229 -0.0985 -0.6301 C 0 0 0 0 0 0 0 0 0 -1.4006 -0.1481 0.5566 C 0 0 0 0 0 0 0 0 0 -0.7330 0.9830 1.0121 C 0 0 0 0 0 0 0 0 0 -0.7835 2.1669 0.2852 C 0 0 0 0 0 0 0 0 0 -1.5006 2.2123 -0.9023 C 0 0 0 0 0 0 0 0 0 -2.7712 -1.2186 -1.0455 O 0 0 0 0 0 0 0 0 0 -0.1498 3.2948 0.6989 O 0 0 0 0 0 0 0 0 0 -1.3503 -1.4340 1.3350 C 0 0 0 0 0 0 0 0 0 -0.5800 -2.4236 0.6276 N 0 0 0 0 0 0 0 0 0 0.1878 -4.6163 0.1843 C 0 0 0 0 0 0 0 0 0 0.2755 -5.9638 0.5069 C 0 0 0 0 0 0 0 0 0 -0.3469 -6.4471 1.6505 C 0 0 0 0 0 0 0 0 0 -1.0506 -5.5736 2.4704 C 0 0 0 0 0 0 0 0 0 -1.1344 -4.2258 2.1444 C 0 0 0 0 0 0 0 0 0 -0.5193 -3.7364 0.9957 C 0 0 0 0 0 0 0 0 0 -0.2532 -7.9058 1.9891 C 0 0 0 0 0 0 0 0 0 -0.7965 -8.3301 2.9822 O 0 0 0 0 0 0 0 0 0 0.4477 -8.7333 1.1662 O 0 0 0 0 0 0 0 0 0 0.4446 -10.0771 1.6037 C 0 0 0 0 0 0 0 0 0 -2.7068 1.1240 -2.2601 H 0 0 0 0 0 0 0 0 0 -0.1877 0.9462 1.9083 H 0 0 0 0 0 0 0 0 0 -1.5356 3.1062 -1.4523 H 0 0 0 0 0 0 0 0 0 -3.2052 -1.0741 -1.8782 H 0 0 0 0 0 0 0 0 0 0.3159 3.1420 1.5141 H 0 0 0 0 0 0 0 0 0 -0.9063 -1.2641 2.3062 H 0 0 0 0 0 0 0 0 0 -2.3636 -1.7863 1.4708 H 0 0 0 0 0 0 0 0 0 -0.0779 -2.1407 -0.1554 H 0 0 0 0 0 0 0 0 0 0.6608 -4.2603 -0.6829 H 0 0 0 0 0 0 0 0 0 0.8133 -6.6174 -0.1162 H 0 0 0 0 0 0 0 0 0 -1.5212 -5.9318 3.3392 H 0 0 0 0 0 0 0 0 0 -1.6682 -3.5801 2.7760 H 0 0 0 0 0 0 0 0 0 1.0169 -10.6723 0.9074 H 0 0 0 0 0 0 0 0 0 0.8962 -10.1587 2.5828 H 0 0 0 0 0 0 0 0 0 -0.5653 -10.4620 1.6407 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 9 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END > 654705 > K $$$$ 656243 1016 111283D 656243 21 23 0 1 V2000 -0.0189 1.4057 0.0098 C 0 0 0 0 0 0 0 0 0 -0.0116 -0.0017 0.0014 C 0 0 0 0 0 0 0 0 0 1.2124 -0.8239 -0.0142 C 0 0 0 0 0 0 0 0 0 2.4722 -0.0425 -0.0327 C 0 0 0 0 0 0 0 0 0 2.5324 1.3645 -0.0259 C 0 0 0 0 0 0 0 0 0 1.2677 2.1687 0.0009 C 0 0 0 0 0 0 0 0 0 -1.2910 1.9657 0.0192 C 0 0 0 0 0 0 0 0 0 -2.3773 1.1458 0.0216 C 0 0 0 0 0 0 0 0 0 -1.7027 -0.4501 0.0159 S 0 0 0 0 0 0 0 0 0 4.1014 -0.5659 -0.0632 S 0 0 0 0 0 0 0 0 0 4.8739 1.0238 -0.0708 C 0 0 0 0 0 0 0 0 0 3.8050 1.9062 -0.0475 C 0 0 0 0 0 0 0 0 0 1.1890 -2.0435 -0.0134 O 0 0 0 0 0 0 0 0 0 1.2876 3.3854 0.0171 O 0 0 0 0 0 0 0 0 0 6.3220 1.3463 -0.0959 C 0 0 0 0 0 0 0 0 0 7.2323 0.3477 -0.1169 O 0 0 0 0 0 0 0 0 0 6.6917 2.5110 -0.0975 O 0 0 0 0 0 0 0 0 0 -1.4135 3.0311 0.0250 H 0 0 0 0 0 0 0 0 0 -3.4199 1.4311 0.0294 H 0 0 0 0 0 0 0 0 0 3.9573 2.9688 -0.0455 H 0 0 0 0 0 0 0 0 0 8.1688 0.5698 -0.1330 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 13 2 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 21 1 0 0 0 0 M END > 656243 > K $$$$ 657278 1016 111283D 657278 31 34 0 1 V2000 0.3973 0.6142 -0.0911 C 0 0 0 0 0 0 0 0 0 -0.0115 -0.0549 1.0525 C 0 0 0 0 0 0 0 0 0 0.7524 -0.0348 2.1969 C 0 0 0 0 0 0 0 0 0 1.9571 0.6493 2.2416 C 0 0 0 0 0 0 0 0 0 2.3834 1.3298 1.1053 C 0 0 0 0 0 0 0 0 0 1.6000 1.3111 -0.0470 C 0 0 0 0 0 0 0 0 0 -1.1356 -0.7809 1.2278 O 0 0 0 0 0 0 0 0 0 -1.0364 -1.1819 2.5889 C 0 0 0 0 0 0 0 0 0 0.1736 -0.7401 3.1911 O 0 0 0 0 0 0 0 0 0 2.1059 2.0713 -1.2307 C 0 0 0 0 0 0 0 0 0 1.4928 2.0974 -2.2713 O 0 0 0 0 0 0 0 0 0 3.4006 2.8036 -1.0852 C 0 0 0 0 0 0 0 0 0 4.0627 2.7390 0.0809 C 0 0 0 0 0 0 0 0 0 3.5688 2.0105 1.1315 N 0 0 0 0 0 0 0 0 0 5.3687 3.4709 0.2697 C 0 0 0 0 0 0 0 0 0 5.5691 4.1461 1.4692 C 0 0 0 0 0 0 0 0 0 6.3700 3.4955 -0.6994 C 0 0 0 0 0 0 0 0 0 7.5404 4.2088 -0.4727 C 0 0 0 0 0 0 0 0 0 7.7277 4.8897 0.7226 C 0 0 0 0 0 0 0 0 0 6.7408 4.8543 1.6974 C 0 0 0 0 0 0 0 0 0 6.2187 2.6478 -2.2150 Cl 0 0 0 0 0 0 0 0 0 -0.1883 0.5924 -0.9626 H 0 0 0 0 0 0 0 0 0 2.5317 0.6502 3.1197 H 0 0 0 0 0 0 0 0 0 -1.8721 -0.7679 3.1367 H 0 0 0 0 0 0 0 0 0 -1.0915 -2.2601 2.6511 H 0 0 0 0 0 0 0 0 0 3.7696 3.3595 -1.8945 H 0 0 0 0 0 0 0 0 0 4.0967 1.9724 1.9463 H 0 0 0 0 0 0 0 0 0 4.8277 4.1266 2.2133 H 0 0 0 0 0 0 0 0 0 8.2881 4.2327 -1.2101 H 0 0 0 0 0 0 0 0 0 8.6132 5.4297 0.8895 H 0 0 0 0 0 0 0 0 0 6.8786 5.3627 2.6064 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 9 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 14 1 0 0 0 0 5 6 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END > 657278 > K $$$$ 657298 1016 111283D 657298 60 62 1 1 V2000 3.2471 7.5007 3.3286 C 0 0 0 0 0 0 0 0 0 2.9110 6.6944 2.1515 N 0 0 0 0 0 0 0 0 0 3.5969 5.4048 2.1469 C 0 0 0 0 0 0 0 0 0 3.1797 4.5918 3.3673 C 0 0 0 0 0 0 0 0 0 3.4953 5.3598 4.6550 C 0 0 1 0 0 0 0 0 0 2.8594 6.7644 4.6128 C 0 0 1 0 0 0 0 0 0 2.9346 4.6179 5.8433 C 0 0 0 0 0 0 0 0 0 4.8951 5.5012 4.7638 O 0 0 0 0 0 0 0 0 0 3.0043 7.4018 0.8741 C 0 0 0 0 0 0 0 0 0 4.4353 7.8127 0.5365 C 0 0 0 0 0 0 0 0 0 3.2401 7.5549 5.8402 C 0 0 0 0 0 0 0 0 0 4.1776 8.3167 5.8199 O 0 0 0 0 0 0 0 0 0 2.4468 7.3812 7.1054 C 0 0 0 0 0 0 0 0 0 2.8250 7.9281 8.2692 C 0 0 0 0 0 0 0 0 0 2.1138 7.6404 9.5701 C 0 0 0 0 0 0 0 0 0 1.0954 6.6966 9.6772 C 0 0 0 0 0 0 0 0 0 0.4648 6.4691 10.8929 C 0 0 0 0 0 0 0 0 0 0.8402 7.1883 12.0201 C 0 0 0 0 0 0 0 0 0 1.8658 8.1207 11.9234 C 0 0 0 0 0 0 0 0 0 2.4975 8.3433 10.7064 C 0 0 0 0 0 0 0 0 0 3.4869 4.7715 7.0554 C 0 0 0 0 0 0 0 0 0 2.9239 4.1869 8.3222 C 0 0 0 0 0 0 0 0 0 3.4908 4.5964 9.5234 C 0 0 0 0 0 0 0 0 0 3.0192 4.1022 10.7316 C 0 0 0 0 0 0 0 0 0 1.9763 3.1848 10.7489 C 0 0 0 0 0 0 0 0 0 1.4015 2.7786 9.5506 C 0 0 0 0 0 0 0 0 0 1.8735 3.2751 8.3422 C 0 0 0 0 0 0 0 0 0 1.4764 2.6403 12.0557 C 0 0 0 0 0 0 0 0 0 0.1434 6.9581 13.3305 C 0 0 0 0 0 0 0 0 0 4.3092 7.7025 3.3404 H 0 0 0 0 0 0 0 0 0 2.7191 8.4443 3.3029 H 0 0 0 0 0 0 0 0 0 3.3452 4.8436 1.2593 H 0 0 0 0 0 0 0 0 0 4.6671 5.5634 2.1661 H 0 0 0 0 0 0 0 0 0 2.1201 4.3946 3.2998 H 0 0 0 0 0 0 0 0 0 3.7141 3.6535 3.3648 H 0 0 0 0 0 0 0 0 0 1.7853 6.6534 4.5969 H 0 0 0 0 0 0 0 0 0 2.1029 3.9926 5.7118 H 0 0 0 0 0 0 0 0 0 5.3081 4.6456 4.8138 H 0 0 0 0 0 0 0 0 0 2.6130 6.7742 0.0804 H 0 0 0 0 0 0 0 0 0 2.4061 8.2997 0.9053 H 0 0 0 0 0 0 0 0 0 4.4384 8.3597 -0.3913 H 0 0 0 0 0 0 0 0 0 4.8159 8.4480 1.3211 H 0 0 0 0 0 0 0 0 0 5.0695 6.9440 0.4406 H 0 0 0 0 0 0 0 0 0 1.5765 6.8002 7.0607 H 0 0 0 0 0 0 0 0 0 3.6524 8.5771 8.2774 H 0 0 0 0 0 0 0 0 0 0.7872 6.1389 8.8447 H 0 0 0 0 0 0 0 0 0 -0.2989 5.7503 10.9548 H 0 0 0 0 0 0 0 0 0 2.1668 8.6622 12.7716 H 0 0 0 0 0 0 0 0 0 3.2719 9.0508 10.6484 H 0 0 0 0 0 0 0 0 0 4.3638 5.3481 7.1307 H 0 0 0 0 0 0 0 0 0 4.2813 5.2888 9.5228 H 0 0 0 0 0 0 0 0 0 3.4553 4.4253 11.6310 H 0 0 0 0 0 0 0 0 0 0.6068 2.0916 9.5547 H 0 0 0 0 0 0 0 0 0 1.4268 2.9523 7.4498 H 0 0 0 0 0 0 0 0 0 0.6866 3.2768 12.4267 H 0 0 0 0 0 0 0 0 0 1.0945 1.6387 11.9221 H 0 0 0 0 0 0 0 0 0 2.2789 2.6131 12.7785 H 0 0 0 0 0 0 0 0 0 0.6625 6.1872 13.8807 H 0 0 0 0 0 0 0 0 0 0.1370 7.8674 13.9135 H 0 0 0 0 0 0 0 0 0 -0.8773 6.6468 13.1619 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 8 1 6 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 6 11 1 0 0 0 0 6 36 1 1 0 0 0 7 21 2 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 29 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 M END > 657298 > K $$$$ 657446 1016 111283D 657446 40 43 0 2 V2000 -1.6538 -0.1675 -0.5679 C 0 0 0 0 0 0 0 0 0 -0.8925 -0.6644 -1.6186 C 0 0 0 0 0 0 0 0 0 -0.1361 -1.8186 -1.4507 C 0 0 0 0 0 0 0 0 0 -0.1237 -2.4861 -0.2291 C 0 0 0 0 0 0 0 0 0 -0.8892 -1.9822 0.8153 C 0 0 0 0 0 0 0 0 0 -1.6525 -0.8337 0.6507 C 0 0 0 0 0 0 0 0 0 -2.3732 -0.4177 1.7174 N 0 3 0 0 0 0 0 0 0 -3.0811 0.6133 1.6819 O 0 0 0 0 0 0 0 0 0 -2.2870 -1.2342 2.9235 O 0 5 0 0 0 0 0 0 0 0.7037 -3.7372 -0.0452 C 0 0 0 0 0 0 0 0 0 0.7896 -4.7130 -1.0298 C 0 0 0 0 0 0 0 0 0 1.4434 -4.0813 1.0387 N 0 3 0 0 0 0 0 0 0 2.0651 -5.2608 0.9153 C 0 0 0 0 0 0 0 0 0 1.7845 -6.0302 -0.5774 S 0 0 0 0 0 0 0 0 0 3.0392 -5.7761 2.3054 S 0 0 0 0 0 0 0 0 0 2.5296 -4.2933 3.1510 C 0 0 0 0 0 0 0 0 0 1.6811 -3.4610 2.2258 C 0 0 0 0 0 0 0 0 0 1.2563 -2.3636 2.4877 O 0 0 0 0 0 0 0 0 0 2.8420 -3.9665 4.4139 C 0 0 0 0 0 0 0 0 0 3.8337 -4.7275 5.2600 C 0 0 0 0 0 0 0 0 0 4.9446 -5.3757 4.7263 C 0 0 0 0 0 0 0 0 0 5.8101 -6.0808 5.5523 C 0 0 0 0 0 0 0 0 0 5.5752 -6.1334 6.9187 C 0 0 0 0 0 0 0 0 0 4.4786 -5.4730 7.4556 C 0 0 0 0 0 0 0 0 0 3.6085 -4.7637 6.6313 C 0 0 0 0 0 0 0 0 0 2.5120 -4.0819 7.0731 O 0 0 0 0 0 0 0 0 0 2.3983 -3.8384 8.4626 C 0 0 0 0 0 0 0 0 0 -2.2260 0.7050 -0.6946 H 0 0 0 0 0 0 0 0 0 -0.8887 -0.1647 -2.5444 H 0 0 0 0 0 0 0 0 0 0.4304 -2.1790 -2.2599 H 0 0 0 0 0 0 0 0 0 -0.9044 -2.4672 1.7472 H 0 0 0 0 0 0 0 0 0 0.2960 -4.6575 -1.9568 H 0 0 0 0 0 0 0 0 0 2.3680 -3.1343 4.8495 H 0 0 0 0 0 0 0 0 0 5.1487 -5.3397 3.6982 H 0 0 0 0 0 0 0 0 0 6.6438 -6.5752 5.1461 H 0 0 0 0 0 0 0 0 0 6.2253 -6.6711 7.5460 H 0 0 0 0 0 0 0 0 0 4.3152 -5.5177 8.4909 H 0 0 0 0 0 0 0 0 0 3.2970 -3.3799 8.8530 H 0 0 0 0 0 0 0 0 0 1.5727 -3.1616 8.6272 H 0 0 0 0 0 0 0 0 0 2.1996 -4.7603 8.9900 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 10 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 8 2 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 25 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 3 7 1 9 -1 12 1 M END > 657446 > K $$$$ 657449 1016 111283D 657449 22 22 0 1 V2000 0.6119 1.8700 -0.6856 C 0 0 0 0 0 0 0 0 0 0.6159 0.4082 -0.9839 C 0 0 0 0 0 0 0 0 0 1.8195 -0.3875 -0.6089 C 0 0 0 0 0 0 0 0 0 2.8890 0.3954 0.0961 C 0 0 0 0 0 0 0 0 0 2.7602 1.7304 0.3567 O 0 0 0 0 0 0 0 0 0 1.6656 2.4276 -0.0710 C 0 0 0 0 0 0 0 0 0 1.6690 3.9076 0.1773 C 0 0 0 0 0 0 0 0 0 -0.3364 -0.1082 -1.5183 O 0 0 0 0 0 0 0 0 0 1.8732 -1.6947 -0.9098 C 0 0 0 0 0 0 0 0 0 3.9086 -0.1387 0.4598 O 0 0 0 0 0 0 0 0 0 2.9432 -2.5029 -0.6469 N 0 0 0 0 0 0 0 0 0 2.9568 -3.8290 -0.9498 C 0 0 0 0 0 0 0 0 0 1.7301 -4.5799 -1.5619 S 0 0 0 0 0 0 0 0 0 4.0939 -4.5204 -0.7047 N 0 0 0 0 0 0 0 0 0 -0.2185 2.4494 -0.9629 H 0 0 0 0 0 0 0 0 0 2.6890 4.2499 0.2733 H 0 0 0 0 0 0 0 0 0 1.1994 4.4325 -0.6423 H 0 0 0 0 0 0 0 0 0 1.1381 4.1224 1.0932 H 0 0 0 0 0 0 0 0 0 1.0295 -2.1108 -1.3810 H 0 0 0 0 0 0 0 0 0 3.7375 -2.1361 -0.2286 H 0 0 0 0 0 0 0 0 0 4.1420 -5.4677 -0.9060 H 0 0 0 0 0 0 0 0 0 4.8658 -4.0719 -0.3273 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 15 1 0 0 0 0 2 8 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 M END > 657449 > K $$$$ 657456 1016 111283D 657456 35 38 0 1 V2000 9.4673 5.9403 3.1036 C 0 0 0 0 0 0 0 0 0 8.2743 6.3156 2.4941 C 0 0 0 0 0 0 0 0 0 7.6661 5.4244 1.6217 C 0 0 0 0 0 0 0 0 0 8.2385 4.1902 1.3631 C 0 0 0 0 0 0 0 0 0 9.4236 3.8032 1.9739 C 0 0 0 0 0 0 0 0 0 10.0360 4.6960 2.8460 C 0 0 0 0 0 0 0 0 0 6.5069 5.5843 0.9275 N 0 0 0 0 0 0 0 0 0 6.2493 4.4807 0.1774 C 0 0 0 0 0 0 0 0 0 7.3516 3.4880 0.3874 C 0 0 0 0 0 0 0 0 0 5.2809 4.3549 -0.5324 O 0 0 0 0 0 0 0 0 0 7.4793 2.3500 -0.1293 N 0 0 0 0 0 0 0 0 0 8.5397 1.6624 -0.1254 N 0 0 0 0 0 0 0 0 0 7.0672 -0.6048 -0.0705 S 0 0 0 0 0 0 0 0 0 8.5060 0.3092 -0.1060 C 0 0 0 0 0 0 0 0 0 9.6240 -0.4443 -0.1114 N 0 0 0 0 0 0 0 0 0 9.3558 -1.7683 -0.0956 C 0 0 0 0 0 0 0 0 0 7.9959 -2.0320 -0.0663 C 0 0 0 0 0 0 0 0 0 10.1455 -4.1807 -0.1070 C 0 0 0 0 0 0 0 0 0 11.1674 -5.1220 -0.1227 C 0 0 0 0 0 0 0 0 0 12.4929 -4.7095 -0.1397 C 0 0 0 0 0 0 0 0 0 12.7929 -3.3542 -0.1409 C 0 0 0 0 0 0 0 0 0 11.7690 -2.4158 -0.1253 C 0 0 0 0 0 0 0 0 0 10.4383 -2.8193 -0.1094 C 0 0 0 0 0 0 0 0 0 13.8928 -5.9951 -0.1614 Br 0 0 0 0 0 0 0 0 0 9.9453 6.6014 3.7654 H 0 0 0 0 0 0 0 0 0 7.8432 7.2529 2.6894 H 0 0 0 0 0 0 0 0 0 9.8538 2.8643 1.7902 H 0 0 0 0 0 0 0 0 0 10.9371 4.4267 3.3144 H 0 0 0 0 0 0 0 0 0 5.9357 6.3671 0.9541 H 0 0 0 0 0 0 0 0 0 9.4127 2.0866 -0.1429 H 0 0 0 0 0 0 0 0 0 7.5758 -2.9915 -0.0437 H 0 0 0 0 0 0 0 0 0 9.1505 -4.5145 -0.0936 H 0 0 0 0 0 0 0 0 0 10.9386 -6.1477 -0.1219 H 0 0 0 0 0 0 0 0 0 13.7947 -3.0385 -0.1537 H 0 0 0 0 0 0 0 0 0 12.0066 -1.3925 -0.1255 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 10 2 0 0 0 0 8 9 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 23 1 0 0 0 0 16 17 2 0 0 0 0 17 31 1 0 0 0 0 18 23 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 M END > 657456 > K $$$$ 657457 1016 111283D 657457 52 55 0 1 V2000 -3.3445 4.6693 1.9655 C 0 0 0 0 0 0 0 0 0 -3.8928 3.4818 2.4404 C 0 0 0 0 0 0 0 0 0 -3.2942 2.7701 3.4713 C 0 0 0 0 0 0 0 0 0 -2.0961 3.2379 3.9991 C 0 0 0 0 0 0 0 0 0 -1.5342 4.4300 3.5522 C 0 0 0 0 0 0 0 0 0 -2.1766 5.1524 2.5489 C 0 0 0 0 0 0 0 0 0 -4.0005 1.5232 3.9437 C 0 0 0 0 0 0 0 0 0 -3.7852 0.8777 5.0996 C 0 0 0 0 0 0 0 0 0 -2.7203 1.3303 6.4446 S 0 0 0 0 0 0 0 0 0 -3.2412 -0.1100 7.3535 C 0 0 0 0 0 0 0 0 0 -2.8049 -0.3462 8.5047 N 0 0 0 0 0 0 0 0 0 -4.1285 -0.8830 6.6722 N 0 0 0 0 0 0 0 0 0 -4.4636 -0.4076 5.4511 C 0 0 0 0 0 0 0 0 0 -5.2384 -0.9801 4.7243 O 0 0 0 0 0 0 0 0 0 -3.1673 -1.2751 9.2790 N 0 0 0 0 0 0 0 0 0 -1.5146 -0.2512 11.1714 S 0 0 0 0 0 0 0 0 0 -2.6507 -1.3520 10.5286 C 0 0 0 0 0 0 0 0 0 -2.9966 -2.3250 11.3924 N 0 0 0 0 0 0 0 0 0 -2.3683 -2.2144 12.5822 C 0 0 0 0 0 0 0 0 0 -1.5138 -1.1245 12.6343 C 0 0 0 0 0 0 0 0 0 -2.6002 -3.1926 13.7055 C 0 0 0 0 0 0 0 0 0 -1.9545 -3.0661 14.9319 C 0 0 0 0 0 0 0 0 0 -2.1881 -3.9841 15.9480 C 0 0 0 0 0 0 0 0 0 -3.0702 -5.0370 15.7460 C 0 0 0 0 0 0 0 0 0 -3.7180 -5.1691 14.5255 C 0 0 0 0 0 0 0 0 0 -3.4830 -4.2499 13.5112 C 0 0 0 0 0 0 0 0 0 -3.3904 -6.2939 17.1352 Br 0 0 0 0 0 0 0 0 0 -0.3679 4.9302 4.0647 O 0 0 0 0 0 0 0 0 0 0.5654 4.0340 4.6393 C 0 0 0 0 0 0 0 0 0 -1.6583 6.3440 2.1348 O 0 0 0 0 0 0 0 0 0 -0.5478 6.1864 1.2767 C 0 0 0 0 0 0 0 0 0 -3.9004 5.3890 0.9430 O 0 0 0 0 0 0 0 0 0 -5.2081 5.0647 0.5115 C 0 0 0 0 0 0 0 0 0 -4.7775 3.1097 2.0180 H 0 0 0 0 0 0 0 0 0 -1.6016 2.6942 4.7419 H 0 0 0 0 0 0 0 0 0 -4.7357 1.1208 3.3090 H 0 0 0 0 0 0 0 0 0 -4.5004 -1.7080 7.0133 H 0 0 0 0 0 0 0 0 0 -3.8132 -1.9484 9.0142 H 0 0 0 0 0 0 0 0 0 -0.9324 -0.8589 13.4660 H 0 0 0 0 0 0 0 0 0 -1.2845 -2.2768 15.1037 H 0 0 0 0 0 0 0 0 0 -1.6972 -3.8824 16.8708 H 0 0 0 0 0 0 0 0 0 -4.3858 -5.9647 14.3699 H 0 0 0 0 0 0 0 0 0 -3.9788 -4.3589 12.5913 H 0 0 0 0 0 0 0 0 0 0.7409 3.1846 3.9932 H 0 0 0 0 0 0 0 0 0 1.5024 4.5558 4.7708 H 0 0 0 0 0 0 0 0 0 0.2255 3.6961 5.6073 H 0 0 0 0 0 0 0 0 0 -0.0782 7.1499 1.1441 H 0 0 0 0 0 0 0 0 0 0.1824 5.5008 1.6833 H 0 0 0 0 0 0 0 0 0 -0.8840 5.8307 0.3127 H 0 0 0 0 0 0 0 0 0 -5.8951 5.0567 1.3465 H 0 0 0 0 0 0 0 0 0 -5.5369 5.8150 -0.1921 H 0 0 0 0 0 0 0 0 0 -5.2157 4.1034 0.0178 H 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 28 1 0 0 0 0 5 6 2 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 28 29 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 M END > 657457 > K $$$$ 657547 1016 111283D 657547 28 30 0 1 V2000 -2.9170 1.6703 2.6597 C 0 0 0 0 0 0 0 0 0 -3.1680 0.3060 2.5335 C 0 0 0 0 0 0 0 0 0 -4.1757 -0.1523 1.5196 C 0 0 0 0 0 0 0 0 0 -4.8110 0.9002 0.7075 C 0 0 0 0 0 0 0 0 0 -4.5599 2.2634 0.8337 C 0 0 0 0 0 0 0 0 0 -3.5702 2.7399 1.8637 C 0 0 0 0 0 0 0 0 0 -1.7031 1.7902 3.9162 S 0 0 0 0 0 0 0 0 0 -1.5172 0.1086 4.2778 C 0 0 0 0 0 0 0 0 0 -2.4064 -0.5190 3.4170 C 0 0 0 0 0 0 0 0 0 -5.9943 0.7760 -0.5779 S 0 0 0 0 0 0 0 0 0 -6.1686 2.4565 -0.9504 C 0 0 0 0 0 0 0 0 0 -5.3024 3.0865 -0.0685 C 0 0 0 0 0 0 0 0 0 -3.3217 3.9155 2.0352 O 0 0 0 0 0 0 0 0 0 -4.4701 -1.3298 1.3553 O 0 0 0 0 0 0 0 0 0 -5.1587 4.5541 -0.0664 C 0 0 0 0 0 0 0 0 0 -4.0673 5.0496 -0.2379 O 0 0 0 0 0 0 0 0 0 -6.3643 5.4292 0.1469 C 0 0 0 0 0 0 0 0 0 -2.5485 -1.9872 3.4167 C 0 0 0 0 0 0 0 0 0 -1.8867 -2.6617 4.1723 O 0 0 0 0 0 0 0 0 0 -3.5187 -2.6452 2.4752 C 0 0 0 0 0 0 0 0 0 -0.8617 -0.3476 5.0067 H 0 0 0 0 0 0 0 0 0 -6.8039 2.9105 -1.6982 H 0 0 0 0 0 0 0 0 0 -6.0609 6.4739 0.1189 H 0 0 0 0 0 0 0 0 0 -7.0954 5.2413 -0.6363 H 0 0 0 0 0 0 0 0 0 -6.8060 5.2061 1.1172 H 0 0 0 0 0 0 0 0 0 -3.2414 -2.4070 1.4490 H 0 0 0 0 0 0 0 0 0 -3.4916 -3.7214 2.6108 H 0 0 0 0 0 0 0 0 0 -4.5246 -2.2834 2.6841 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 14 2 0 0 0 0 3 4 1 0 0 0 0 4 10 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 M END > 657547 > K $$$$ 657598 1016 111283D 657598 38 41 0 2 V2000 -0.2373 1.0506 -1.7038 C 0 0 0 0 0 0 0 0 0 -0.4064 1.6395 -0.4953 N 0 3 0 0 0 0 0 0 0 -1.4759 1.6734 0.3251 C 0 0 0 0 0 0 0 0 0 -1.2168 2.4421 1.4514 C 0 0 0 0 0 0 0 0 0 0.3813 3.0666 1.4568 S 0 0 0 0 0 0 0 0 0 0.6612 2.3018 -0.0411 C 0 0 0 0 0 0 0 0 0 2.0951 2.2301 -1.0890 S 0 0 0 0 0 0 0 0 0 1.1452 1.2619 -2.2512 C 0 0 0 0 0 0 0 0 0 -1.1135 0.4338 -2.2574 O 0 0 0 0 0 0 0 0 0 1.5554 0.7841 -3.4358 C 0 0 0 0 0 0 0 0 0 2.9736 0.8533 -3.9412 C 0 0 0 0 0 0 0 0 0 3.1682 0.9027 -5.3167 C 0 0 0 0 0 0 0 0 0 4.4491 1.0036 -5.8433 C 0 0 0 0 0 0 0 0 0 5.5500 1.0491 -4.9990 C 0 0 0 0 0 0 0 0 0 5.3653 0.9682 -3.6251 C 0 0 0 0 0 0 0 0 0 4.0828 0.8654 -3.0992 C 0 0 0 0 0 0 0 0 0 6.7837 1.1729 -5.5442 N 0 3 0 0 0 0 0 0 0 7.8141 1.2131 -4.8360 O 0 0 0 0 0 0 0 0 0 6.8852 1.2609 -6.9943 O 0 5 0 0 0 0 0 0 0 -2.7741 0.9636 0.0491 C 0 0 0 0 0 0 0 0 0 -3.9868 1.6404 -0.0160 C 0 0 0 0 0 0 0 0 0 -5.1591 0.9437 -0.2887 C 0 0 0 0 0 0 0 0 0 -5.1308 -0.4321 -0.4883 C 0 0 0 0 0 0 0 0 0 -3.9208 -1.1098 -0.4135 C 0 0 0 0 0 0 0 0 0 -2.7520 -0.4106 -0.1470 C 0 0 0 0 0 0 0 0 0 -3.7981 -2.4459 -0.5885 N 0 3 0 0 0 0 0 0 0 -4.7854 -3.1849 -0.8014 O 0 0 0 0 0 0 0 0 0 -2.4426 -2.9863 -0.5154 O 0 5 0 0 0 0 0 0 0 -1.9153 2.6210 2.2170 H 0 0 0 0 0 0 0 0 0 0.8399 0.3320 -4.0606 H 0 0 0 0 0 0 0 0 0 2.3453 0.8676 -5.9700 H 0 0 0 0 0 0 0 0 0 4.5918 1.0473 -6.8841 H 0 0 0 0 0 0 0 0 0 6.1975 0.9850 -2.9839 H 0 0 0 0 0 0 0 0 0 3.9701 0.7940 -2.0586 H 0 0 0 0 0 0 0 0 0 -4.0251 2.6801 0.1362 H 0 0 0 0 0 0 0 0 0 -6.0735 1.4601 -0.3451 H 0 0 0 0 0 0 0 0 0 -6.0179 -0.9565 -0.6943 H 0 0 0 0 0 0 0 0 0 -1.8441 -0.9383 -0.0921 H 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 3 1 0 0 0 0 3 20 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 20 25 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 25 1 0 0 0 0 25 38 1 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 5 2 1 17 1 19 -1 26 1 28 -1 M END > 657598 > K $$$$ 657603 1016 111283D 657603 42 45 0 2 V2000 13.3668 -2.9805 3.4009 C 0 0 0 0 0 0 0 0 0 13.0295 -3.8867 2.4079 C 0 0 0 0 0 0 0 0 0 11.8719 -3.6851 1.6727 C 0 0 0 0 0 0 0 0 0 11.0644 -2.5876 1.9451 C 0 0 0 0 0 0 0 0 0 11.3713 -1.6622 2.9420 C 0 0 0 0 0 0 0 0 0 12.5526 -1.8836 3.6526 C 0 0 0 0 0 0 0 0 0 9.8178 -2.3766 1.1493 C 0 0 0 0 0 0 0 0 0 9.0232 -1.3087 1.4085 N 0 0 0 0 0 0 0 0 0 9.3810 -0.4515 2.4031 C 0 0 0 0 0 0 0 0 0 10.5045 -0.6015 3.1622 N 0 3 0 0 0 0 0 0 0 8.4384 0.9181 2.7991 S 0 0 0 0 0 0 0 0 0 9.5500 1.3182 4.0145 C 0 0 0 0 0 0 0 0 0 10.5898 0.4067 4.0857 C 0 0 0 0 0 0 0 0 0 11.6430 0.6369 5.1376 C 0 0 0 0 0 0 0 0 0 11.6614 -0.1483 6.2856 C 0 0 0 0 0 0 0 0 0 12.6334 0.0609 7.2557 C 0 0 0 0 0 0 0 0 0 13.5915 1.0529 7.0887 C 0 0 0 0 0 0 0 0 0 13.5733 1.8405 5.9441 C 0 0 0 0 0 0 0 0 0 12.6002 1.6335 4.9725 C 0 0 0 0 0 0 0 0 0 14.5201 1.2178 8.0594 N 0 3 0 0 0 0 0 0 0 15.4171 2.0864 7.9792 O 0 0 0 0 0 0 0 0 0 14.4389 0.3378 9.2156 O 0 5 0 0 0 0 0 0 0 9.5197 -3.1544 0.2777 O 0 0 0 0 0 0 0 0 0 7.8255 -1.1202 0.6238 C 0 0 0 0 0 0 0 0 0 6.6725 -1.8792 1.2819 C 0 0 0 0 0 0 0 0 0 5.3664 -1.7049 0.5102 C 0 0 0 0 0 0 0 0 0 14.2433 -3.1268 3.9641 H 0 0 0 0 0 0 0 0 0 13.6456 -4.7173 2.2145 H 0 0 0 0 0 0 0 0 0 11.6103 -4.3639 0.9127 H 0 0 0 0 0 0 0 0 0 12.8752 -1.2355 4.4020 H 0 0 0 0 0 0 0 0 0 9.4542 2.1596 4.6381 H 0 0 0 0 0 0 0 0 0 10.9435 -0.9034 6.4291 H 0 0 0 0 0 0 0 0 0 12.6495 -0.5324 8.1247 H 0 0 0 0 0 0 0 0 0 14.2964 2.5924 5.8144 H 0 0 0 0 0 0 0 0 0 12.5956 2.2366 4.1108 H 0 0 0 0 0 0 0 0 0 7.5670 -0.0740 0.5348 H 0 0 0 0 0 0 0 0 0 7.9653 -1.5028 -0.3792 H 0 0 0 0 0 0 0 0 0 6.9163 -2.9318 1.3199 H 0 0 0 0 0 0 0 0 0 6.5316 -1.5179 2.2903 H 0 0 0 0 0 0 0 0 0 5.4765 -2.0855 -0.4951 H 0 0 0 0 0 0 0 0 0 4.5791 -2.2533 1.0073 H 0 0 0 0 0 0 0 0 0 5.0938 -0.6601 0.4690 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 30 1 0 0 0 0 7 23 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 3 10 1 20 1 22 -1 M END > 657603 > K $$$$ 657722 1016 111283D 657722 53 55 1 1 V2000 0.9710 -5.5300 -2.3497 C 0 0 0 0 0 0 0 0 0 1.5586 -5.0179 -1.2004 C 0 0 0 0 0 0 0 0 0 1.3001 -3.7068 -0.8106 C 0 0 0 0 0 0 0 0 0 0.4425 -2.9216 -1.5735 C 0 0 0 0 0 0 0 0 0 -0.1434 -3.4345 -2.7231 C 0 0 0 0 0 0 0 0 0 0.1225 -4.7398 -3.1133 C 0 0 0 0 0 0 0 0 0 2.6122 -6.0567 -0.2809 Cl 0 0 0 0 0 0 0 0 0 1.9227 -3.1125 0.4219 C 0 0 0 0 0 0 0 0 0 0.6470 -3.1264 1.7068 S 0 0 0 0 0 0 0 0 0 1.1444 -2.5259 2.9048 O 0 0 0 0 0 0 0 0 0 -0.4873 -2.3898 1.2435 O 0 0 0 0 0 0 0 0 0 0.1506 -4.8368 2.0312 C 0 0 1 0 0 0 0 0 0 1.3484 -5.5864 2.5300 C 0 0 0 0 0 0 0 0 0 2.3639 -4.9954 2.8193 O 0 0 0 0 0 0 0 0 0 1.2783 -7.0804 2.6630 C 0 0 0 0 0 0 0 0 0 0.2217 -7.6293 2.4597 O 0 0 0 0 0 0 0 0 0 2.3776 -7.8100 2.9985 N 0 0 0 0 0 0 0 0 0 2.3332 -9.1447 3.2818 C 0 0 0 0 0 0 0 0 0 3.2493 -9.9725 2.6367 C 0 0 0 0 0 0 0 0 0 3.2190 -11.3457 2.8483 C 0 0 0 0 0 0 0 0 0 2.2815 -11.8984 3.7086 C 0 0 0 0 0 0 0 0 0 1.3865 -11.0735 4.3746 C 0 0 0 0 0 0 0 0 0 1.4183 -9.6967 4.1808 C 0 0 0 0 0 0 0 0 0 0.4512 -8.8506 4.9667 C 0 0 0 0 0 0 0 0 0 4.2800 -9.3952 1.7042 C 0 0 0 0 0 0 0 0 0 -1.0380 -4.7745 2.9554 C 0 0 0 0 0 0 0 0 0 -0.8664 -4.6786 4.3329 C 0 0 0 0 0 0 0 0 0 -1.9686 -4.6370 5.1774 C 0 0 0 0 0 0 0 0 0 -3.2522 -4.6832 4.6505 C 0 0 0 0 0 0 0 0 0 -3.4297 -4.7657 3.2764 C 0 0 0 0 0 0 0 0 0 -2.3281 -4.8080 2.4316 C 0 0 0 0 0 0 0 0 0 -2.6078 -4.9034 0.7134 Cl 0 0 0 0 0 0 0 0 0 1.1703 -6.5190 -2.6413 H 0 0 0 0 0 0 0 0 0 0.2332 -1.9331 -1.2829 H 0 0 0 0 0 0 0 0 0 -0.7875 -2.8346 -3.2969 H 0 0 0 0 0 0 0 0 0 -0.3173 -5.1291 -3.9844 H 0 0 0 0 0 0 0 0 0 2.7817 -3.6754 0.7544 H 0 0 0 0 0 0 0 0 0 2.2226 -2.0910 0.2409 H 0 0 0 0 0 0 0 0 0 -0.1322 -5.2968 1.0977 H 0 0 0 0 0 0 0 0 0 3.2342 -7.3550 3.0264 H 0 0 0 0 0 0 0 0 0 3.9043 -11.9719 2.3565 H 0 0 0 0 0 0 0 0 0 2.2500 -12.9380 3.8565 H 0 0 0 0 0 0 0 0 0 0.6830 -11.4987 5.0295 H 0 0 0 0 0 0 0 0 0 -0.4327 -8.6641 4.3750 H 0 0 0 0 0 0 0 0 0 0.1520 -9.3551 5.8743 H 0 0 0 0 0 0 0 0 0 0.9116 -7.9122 5.2380 H 0 0 0 0 0 0 0 0 0 5.1180 -9.0416 2.2878 H 0 0 0 0 0 0 0 0 0 4.6274 -10.1402 1.0041 H 0 0 0 0 0 0 0 0 0 3.8636 -8.5685 1.1475 H 0 0 0 0 0 0 0 0 0 0.0991 -4.6371 4.7453 H 0 0 0 0 0 0 0 0 0 -1.8319 -4.5703 6.2168 H 0 0 0 0 0 0 0 0 0 -4.0868 -4.6553 5.2886 H 0 0 0 0 0 0 0 0 0 -4.3995 -4.7963 2.8739 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 33 1 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 1 0 0 0 12 26 1 6 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 31 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 M END > 657722 > K $$$$ 657799 1016 111283D 657799 71 72 1 1 V2000 -4.8458 -4.9267 24.0364 C 0 0 0 0 0 0 0 0 0 -5.8996 -4.4526 24.8052 C 0 0 0 0 0 0 0 0 0 -4.7848 -6.2666 23.6736 C 0 0 0 0 0 0 0 0 0 -5.7892 -7.1352 24.0820 C 0 0 0 0 0 0 0 0 0 -6.8469 -6.6617 24.8457 C 0 0 0 0 0 0 0 0 0 -6.9092 -5.3232 25.2148 C 0 0 0 0 0 0 0 0 0 -5.8950 -3.1292 25.1255 O 0 0 0 0 0 0 0 0 0 -5.6848 -2.9287 26.5088 C 0 0 0 0 0 0 0 0 0 -7.9582 -4.8932 25.9745 O 0 0 0 0 0 0 0 0 0 -9.2206 -5.0170 25.3428 C 0 0 0 0 0 0 0 0 0 -3.6356 -6.7707 22.8482 C 0 0 0 0 0 0 0 0 0 -2.5588 -7.3774 23.7478 C 0 0 0 0 0 0 0 0 0 -2.0626 -6.3535 24.6712 N 0 0 0 0 0 0 0 0 0 -2.5906 -6.4815 26.0289 C 0 0 0 0 0 0 0 0 0 -0.6236 -6.1106 24.5621 C 0 0 0 0 0 0 0 0 0 -0.0804 -4.9813 25.4423 C 0 0 0 0 0 0 0 0 0 -0.7862 -3.6333 25.2091 C 0 0 0 0 0 0 0 0 0 0.1364 -2.5013 24.7086 C 0 0 1 0 0 0 0 0 0 0.7657 -2.9545 23.4004 C 0 0 0 0 0 0 0 0 0 2.1392 -3.1381 23.2652 C 0 0 0 0 0 0 0 0 0 -0.0409 -3.1996 22.2932 C 0 0 0 0 0 0 0 0 0 0.5088 -3.6194 21.0898 C 0 0 0 0 0 0 0 0 0 1.8818 -3.8088 20.9619 C 0 0 0 0 0 0 0 0 0 2.6950 -3.5652 22.0681 C 0 0 0 0 0 0 0 0 0 1.9503 -2.0874 26.6242 N 0 0 0 0 0 0 0 0 0 -0.6234 -1.1703 24.4899 C 0 0 0 0 0 0 0 0 0 -1.3693 -0.6506 25.7265 C 0 0 0 0 0 0 0 0 0 0.2971 -0.0520 23.9792 C 0 0 0 0 0 0 0 0 0 4.0493 -3.7219 22.0463 O 0 0 0 0 0 0 0 0 0 2.4799 -4.2226 19.8029 O 0 0 0 0 0 0 0 0 0 1.1592 -2.2660 25.7895 C 0 0 0 0 0 0 0 0 0 1.6973 -4.4383 18.6455 C 0 0 0 0 0 0 0 0 0 4.4728 -5.0181 21.6678 C 0 0 0 0 0 0 0 0 0 -4.0934 -4.2599 23.7329 H 0 0 0 0 0 0 0 0 0 -5.7531 -8.1506 23.8155 H 0 0 0 0 0 0 0 0 0 -7.6073 -7.3184 25.1496 H 0 0 0 0 0 0 0 0 0 -4.7329 -3.3469 26.8081 H 0 0 0 0 0 0 0 0 0 -5.6708 -1.8680 26.7116 H 0 0 0 0 0 0 0 0 0 -6.4755 -3.3808 27.0896 H 0 0 0 0 0 0 0 0 0 -9.4972 -6.0496 25.1825 H 0 0 0 0 0 0 0 0 0 -9.9702 -4.5623 25.9744 H 0 0 0 0 0 0 0 0 0 -9.2166 -4.4966 24.3950 H 0 0 0 0 0 0 0 0 0 -3.9917 -7.5141 22.1491 H 0 0 0 0 0 0 0 0 0 -3.2009 -5.9535 22.2906 H 0 0 0 0 0 0 0 0 0 -2.9694 -8.2224 24.2846 H 0 0 0 0 0 0 0 0 0 -1.7673 -7.7544 23.1147 H 0 0 0 0 0 0 0 0 0 -2.4361 -5.5647 26.5773 H 0 0 0 0 0 0 0 0 0 -3.6523 -6.6804 26.0198 H 0 0 0 0 0 0 0 0 0 -2.0923 -7.2915 26.5415 H 0 0 0 0 0 0 0 0 0 -0.0979 -7.0205 24.8163 H 0 0 0 0 0 0 0 0 0 -0.3932 -5.8665 23.5344 H 0 0 0 0 0 0 0 0 0 -0.1825 -5.2708 26.4791 H 0 0 0 0 0 0 0 0 0 0.9783 -4.8939 25.2452 H 0 0 0 0 0 0 0 0 0 -1.5966 -3.7663 24.5067 H 0 0 0 0 0 0 0 0 0 -1.2377 -3.3462 26.1476 H 0 0 0 0 0 0 0 0 0 2.7899 -2.9590 24.0686 H 0 0 0 0 0 0 0 0 0 -1.0813 -3.0688 22.3565 H 0 0 0 0 0 0 0 0 0 -0.1299 -3.7920 20.2760 H 0 0 0 0 0 0 0 0 0 -1.3759 -1.3286 23.7309 H 0 0 0 0 0 0 0 0 0 -1.8518 0.2874 25.4916 H 0 0 0 0 0 0 0 0 0 -2.1329 -1.3499 26.0331 H 0 0 0 0 0 0 0 0 0 -0.6845 -0.4898 26.5467 H 0 0 0 0 0 0 0 0 0 1.0589 0.1793 24.7104 H 0 0 0 0 0 0 0 0 0 0.7767 -0.3469 23.0574 H 0 0 0 0 0 0 0 0 0 -0.2821 0.8398 23.7882 H 0 0 0 0 0 0 0 0 0 1.1967 -3.5286 18.3454 H 0 0 0 0 0 0 0 0 0 2.3538 -4.7474 17.8450 H 0 0 0 0 0 0 0 0 0 0.9734 -5.2218 18.8173 H 0 0 0 0 0 0 0 0 0 5.5512 -5.0514 21.7097 H 0 0 0 0 0 0 0 0 0 4.0799 -5.7605 22.3499 H 0 0 0 0 0 0 0 0 0 4.1701 -5.2611 20.6612 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 34 1 0 0 0 0 2 7 1 0 0 0 0 2 6 1 0 0 0 0 3 11 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 13 14 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 31 1 0 0 0 0 18 19 1 1 0 0 0 18 26 1 6 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 24 2 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 22 23 2 0 0 0 0 22 58 1 0 0 0 0 23 30 1 0 0 0 0 23 24 1 0 0 0 0 24 29 1 0 0 0 0 25 31 3 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 M END > 657799 > K $$$$ 658139 1016 111283D 658139 53 58 0 3 V2000 5.1094 -3.6942 -1.2573 C 0 0 0 0 0 0 0 0 0 3.8038 -3.7308 -0.8058 C 0 0 0 0 0 0 0 0 0 2.9908 -2.6037 -0.9296 C 0 3 0 0 0 0 0 0 0 3.5091 -1.4352 -1.5149 C 0 3 0 0 0 0 0 0 0 4.8231 -1.4142 -1.9627 C 0 0 0 0 0 0 0 0 0 5.6167 -2.5423 -1.8323 C 0 0 0 0 0 0 0 0 0 1.5908 -2.3432 -0.5509 C 0 3 0 0 0 0 0 0 0 1.2898 -0.9530 -0.9394 C 0 3 0 0 0 0 0 0 0 2.4465 -0.4006 -1.5218 C 0 3 0 0 0 0 0 0 0 0.1383 -0.1734 -0.8259 C 0 0 0 0 0 0 0 0 0 0.1386 1.1306 -1.2835 C 0 0 0 0 0 0 0 0 0 1.2795 1.6685 -1.8564 C 0 0 0 0 0 0 0 0 0 2.4300 0.9107 -1.9739 C 0 0 0 0 0 0 0 0 0 0.7692 -3.1892 0.0224 N 0 0 0 0 0 0 0 0 0 1.1808 -4.3554 0.3854 N 0 0 0 0 0 0 0 0 0 -1.0736 1.9544 -1.1657 N 0 3 0 0 0 0 0 0 0 -1.0852 3.1060 -1.5660 O 0 0 0 0 0 0 0 0 0 -2.0948 1.4775 -0.6552 O 0 5 0 0 0 0 0 0 0 3.6321 1.5019 -2.5831 N 0 3 0 0 0 0 0 0 0 4.2938 0.8471 -3.3977 O 0 5 0 0 0 0 0 0 0 3.9868 2.6315 -2.2920 O 0 0 0 0 0 0 0 0 0 5.9702 -4.8786 -1.1224 N 0 3 0 0 0 0 0 0 0 7.1235 -4.8580 -1.5169 O 0 0 0 0 0 0 0 0 0 5.5226 -5.9094 -0.6041 O 0 5 0 0 0 0 0 0 0 -3.7758 -4.8282 1.3589 C 0 0 0 0 0 0 0 0 0 -3.3594 -5.9535 0.6701 C 0 0 0 0 0 0 0 0 0 -2.0230 -6.1276 0.3631 C 0 0 0 0 0 0 0 0 0 -1.0994 -5.1564 0.7640 C 0 0 0 0 0 0 0 0 0 -1.5237 -4.0215 1.4544 C 0 0 0 0 0 0 0 0 0 -2.8625 -3.8611 1.7467 C 0 0 0 0 0 0 0 0 0 1.5457 -9.4001 -0.0481 C 0 0 0 0 0 0 0 0 0 0.2305 -9.0378 -0.2789 C 0 0 0 0 0 0 0 0 0 -0.1665 -7.7223 -0.1273 C 0 0 0 0 0 0 0 0 0 0.7758 -6.7672 0.2683 C 0 0 0 0 0 0 0 0 0 2.1012 -7.1358 0.4965 C 0 0 0 0 0 0 0 0 0 2.4811 -8.4521 0.3341 C 0 0 0 0 0 0 0 0 0 -1.5896 -7.3370 -0.4151 C 0 0 0 0 0 0 0 0 0 0.3355 -5.3686 0.4705 C 0 0 0 0 0 0 0 0 0 3.4141 -4.6331 -0.3584 H 0 0 0 0 0 0 0 0 0 5.2323 -0.5230 -2.4135 H 0 0 0 0 0 0 0 0 0 6.6373 -2.5220 -2.1819 H 0 0 0 0 0 0 0 0 0 -0.7548 -0.5876 -0.3810 H 0 0 0 0 0 0 0 0 0 1.2694 2.6878 -2.2109 H 0 0 0 0 0 0 0 0 0 -4.8204 -4.7002 1.5908 H 0 0 0 0 0 0 0 0 0 -4.0795 -6.6995 0.3747 H 0 0 0 0 0 0 0 0 0 -0.8093 -3.2721 1.7544 H 0 0 0 0 0 0 0 0 0 -3.1982 -2.9852 2.2781 H 0 0 0 0 0 0 0 0 0 1.8452 -10.4284 -0.1674 H 0 0 0 0 0 0 0 0 0 -0.4881 -9.7847 -0.5753 H 0 0 0 0 0 0 0 0 0 2.8254 -6.3945 0.7929 H 0 0 0 0 0 0 0 0 0 3.5048 -8.7438 0.5057 H 0 0 0 0 0 0 0 0 0 -2.2396 -8.1729 -0.1578 H 0 0 0 0 0 0 0 0 0 -1.6912 -7.1278 -1.4791 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 2 4 0 0 0 0 1 6 4 0 0 0 0 2 3 4 0 0 0 0 2 39 1 0 0 0 0 3 7 4 0 0 0 0 3 4 4 0 0 0 0 4 9 4 0 0 0 0 4 5 4 0 0 0 0 5 6 4 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 14 2 0 0 0 0 7 8 4 0 0 0 0 8 9 4 0 0 0 0 8 10 4 0 0 0 0 9 13 4 0 0 0 0 10 11 4 0 0 0 0 10 42 1 0 0 0 0 11 16 1 0 0 0 0 11 12 4 0 0 0 0 12 13 4 0 0 0 0 12 43 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 38 2 0 0 0 0 16 18 1 0 0 0 0 16 17 2 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 37 1 0 0 0 0 27 28 1 0 0 0 0 28 38 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 31 48 1 0 0 0 0 32 33 2 0 0 0 0 32 49 1 0 0 0 0 33 37 1 0 0 0 0 33 34 1 0 0 0 0 34 38 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 50 1 0 0 0 0 36 51 1 0 0 0 0 37 52 1 0 0 0 0 37 53 1 0 0 0 0 M CHG 8 3 1 4 1 7 1 8 1 9 1 16 1 18 -1 19 1 M CHG 3 20 -1 22 1 24 -1 M END > 658139 > K $$$$ 658144 1016 111283D 658144 34 36 0 1 V2000 4.9431 1.3488 0.3631 C 0 0 0 0 0 0 0 0 0 4.8485 -0.0047 0.6471 C 0 0 0 0 0 0 0 0 0 3.7560 -0.7373 0.1767 C 0 0 0 0 0 0 0 0 0 2.7675 -0.1006 -0.5769 C 0 0 0 0 0 0 0 0 0 2.8730 1.2633 -0.8567 C 0 0 0 0 0 0 0 0 0 3.9618 1.9791 -0.3840 C 0 0 0 0 0 0 0 0 0 3.6164 -2.2140 0.4659 C 0 0 0 0 0 0 0 0 0 2.4346 -2.9948 -0.0484 C 0 0 0 0 0 0 0 0 0 1.4948 -2.3748 -0.7689 C 0 0 0 0 0 0 0 0 0 1.5979 -0.9148 -1.0744 C 0 0 0 0 0 0 0 0 0 4.4509 -2.7949 1.1150 O 0 0 0 0 0 0 0 0 0 0.7076 -0.4322 -1.7305 O 0 0 0 0 0 0 0 0 0 5.8861 -0.4791 1.3883 O 0 0 0 0 0 0 0 0 0 1.9902 2.0095 -1.5737 O 0 0 0 0 0 0 0 0 0 1.8711 -4.8232 1.5401 C 0 0 0 0 0 0 0 0 0 3.1108 -5.1525 2.3737 C 0 0 0 0 0 0 0 0 0 3.9625 -6.1011 1.6620 N 0 0 0 0 0 0 0 0 0 4.3547 -5.6731 0.3223 C 0 0 0 0 0 0 0 0 0 3.1166 -5.3413 -0.5128 C 0 0 0 0 0 0 0 0 0 2.2508 -4.4020 0.1946 N 0 0 0 0 0 0 0 0 0 5.7663 1.8951 0.7193 H 0 0 0 0 0 0 0 0 0 4.0381 3.0047 -0.5965 H 0 0 0 0 0 0 0 0 0 0.6704 -2.9168 -1.1277 H 0 0 0 0 0 0 0 0 0 5.8271 -1.4043 1.5809 H 0 0 0 0 0 0 0 0 0 1.2442 1.5163 -1.8866 H 0 0 0 0 0 0 0 0 0 1.2760 -5.7220 1.4600 H 0 0 0 0 0 0 0 0 0 1.2795 -4.0656 2.0343 H 0 0 0 0 0 0 0 0 0 3.6601 -4.2473 2.5845 H 0 0 0 0 0 0 0 0 0 2.7976 -5.5848 3.3132 H 0 0 0 0 0 0 0 0 0 4.7695 -6.3298 2.2093 H 0 0 0 0 0 0 0 0 0 4.9977 -4.8080 0.3832 H 0 0 0 0 0 0 0 0 0 4.9028 -6.4679 -0.1632 H 0 0 0 0 0 0 0 0 0 3.4104 -4.9517 -1.4772 H 0 0 0 0 0 0 0 0 0 2.5666 -6.2586 -0.6689 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 13 1 0 0 0 0 2 3 2 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 10 1 0 0 0 0 4 5 2 0 0 0 0 5 14 1 0 0 0 0 5 6 1 0 0 0 0 6 22 1 0 0 0 0 7 11 2 0 0 0 0 7 8 1 0 0 0 0 8 20 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 20 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 M END > 658144 > K $$$$ 658285 1016 111283D 658285 33 35 0 2 V2000 -0.2806 -9.7945 -0.4541 C 0 0 0 0 0 0 0 0 0 -0.0158 -8.4788 -0.8113 C 0 0 0 0 0 0 0 0 0 0.6825 -8.1876 -1.9804 C 0 0 0 0 0 0 0 0 0 1.1351 -9.2392 -2.7728 C 0 0 0 0 0 0 0 0 0 0.8800 -10.5561 -2.4123 C 0 0 0 0 0 0 0 0 0 0.1674 -10.8357 -1.2545 C 0 0 0 0 0 0 0 0 0 -2.8250 -3.0774 -0.9121 S 0 3 0 0 0 0 0 0 0 -1.4398 -3.9018 -1.4695 C 0 0 0 0 0 0 0 0 0 -0.3368 -3.3371 -2.0559 N 0 3 0 0 0 0 0 0 0 -0.7687 -1.9740 -1.9850 C 0 0 0 0 0 0 0 0 0 -2.0346 -1.6981 -1.4508 C 0 0 0 0 0 0 0 0 0 -1.3594 -5.6787 -1.3020 S 0 0 0 0 0 0 0 0 0 0.2165 -5.7045 -2.1057 C 0 0 0 0 0 0 0 0 0 0.5908 -4.2851 -2.4075 C 0 0 0 0 0 0 0 0 0 1.6426 -4.0015 -2.9256 O 0 0 0 0 0 0 0 0 0 0.9707 -6.7707 -2.4148 C 0 0 0 0 0 0 0 0 0 2.0289 -8.9316 -4.2360 Cl 0 0 0 0 0 0 0 0 0 -0.0283 -0.6717 -2.4237 C 0 0 0 0 0 0 0 0 0 -2.6994 -0.3488 -1.3310 C 0 0 0 0 0 0 0 0 0 -2.1371 0.6053 -1.8027 O 0 0 0 0 0 0 0 0 0 -4.0244 -0.1353 -0.6559 C 0 0 0 0 0 0 0 0 0 -0.8198 -10.0060 0.4232 H 0 0 0 0 0 0 0 0 0 -0.3507 -7.7153 -0.1773 H 0 0 0 0 0 0 0 0 0 1.2263 -11.3434 -3.0163 H 0 0 0 0 0 0 0 0 0 -0.0316 -11.8323 -0.9849 H 0 0 0 0 0 0 0 0 0 0.2806 -2.7136 -2.4166 H 0 0 0 0 0 0 0 0 0 1.8263 -6.6113 -3.0059 H 0 0 0 0 0 0 0 0 0 1.0075 -0.8505 -2.6820 H 0 0 0 0 0 0 0 0 0 -0.5121 -0.2425 -3.2907 H 0 0 0 0 0 0 0 0 0 -0.0170 0.0552 -1.6229 H 0 0 0 0 0 0 0 0 0 -3.9613 -0.4103 0.3869 H 0 0 0 0 0 0 0 0 0 -4.2858 0.9120 -0.7188 H 0 0 0 0 0 0 0 0 0 -4.7970 -0.7132 -1.1413 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 4 1 0 0 0 0 4 17 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 18 1 0 0 0 0 10 11 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 16 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 M CHG 2 7 1 9 1 M END > 658285 > K $$$$ 658293 1016 111283D 658293 38 40 0 2 V2000 -0.2638 0.8336 -1.1704 C 0 0 0 0 0 0 0 0 0 0.8488 0.5339 -0.3945 C 0 0 0 0 0 0 0 0 0 1.6597 -0.5512 -0.7084 C 0 0 0 0 0 0 0 0 0 1.3761 -1.2897 -1.8551 C 0 0 0 0 0 0 0 0 0 0.2568 -0.9995 -2.6267 C 0 0 0 0 0 0 0 0 0 -0.5769 0.0538 -2.2754 C 0 0 0 0 0 0 0 0 0 3.3145 -2.0828 0.4633 C 0 0 0 0 0 0 0 0 0 2.7823 -3.4188 0.0144 C 0 0 0 0 0 0 0 0 0 3.5735 -4.4511 0.4014 N 0 3 0 0 0 0 0 0 0 4.6320 -4.0937 1.1364 C 0 0 0 0 0 0 0 0 0 4.7918 -2.3466 1.4280 S 0 0 0 0 0 0 0 0 0 5.5910 -5.4154 1.6277 S 0 0 0 0 0 0 0 0 0 4.5026 -6.4637 0.8181 C 0 0 0 0 0 0 0 0 0 3.4787 -5.7807 0.1756 C 0 0 0 0 0 0 0 0 0 2.4178 -6.4512 -0.6586 C 0 0 0 0 0 0 0 0 0 1.7684 -3.5904 -0.6145 O 0 0 0 0 0 0 0 0 0 4.6221 -7.9548 0.7954 C 0 0 0 0 0 0 0 0 0 5.5732 -8.4968 1.3022 O 0 0 0 0 0 0 0 0 0 3.6242 -8.6487 0.1898 O 0 0 0 0 0 0 0 0 0 3.7784 -10.0532 0.2203 C 0 0 0 0 0 0 0 0 0 2.4292 -10.6394 -0.1795 C 0 0 0 0 0 0 0 0 0 -1.6943 0.3419 -2.9855 N 0 3 0 0 0 0 0 0 0 -2.0267 -0.3270 -3.9892 O 0 0 0 0 0 0 0 0 0 -2.5137 1.4629 -2.5478 O 0 5 0 0 0 0 0 0 0 2.8112 -0.8614 0.2200 C 0 0 0 0 0 0 0 0 0 -0.8768 1.6520 -0.9245 H 0 0 0 0 0 0 0 0 0 1.0702 1.1362 0.4382 H 0 0 0 0 0 0 0 0 0 2.0025 -2.0749 -2.1581 H 0 0 0 0 0 0 0 0 0 0.0389 -1.5764 -3.4776 H 0 0 0 0 0 0 0 0 0 2.8902 -7.0267 -1.4427 H 0 0 0 0 0 0 0 0 0 1.8331 -7.1155 -0.0393 H 0 0 0 0 0 0 0 0 0 1.7576 -5.7346 -1.1204 H 0 0 0 0 0 0 0 0 0 4.5334 -10.3650 -0.4891 H 0 0 0 0 0 0 0 0 0 4.0410 -10.4153 1.2060 H 0 0 0 0 0 0 0 0 0 2.1230 -10.2279 -1.1302 H 0 0 0 0 0 0 0 0 0 2.5003 -11.7142 -0.2604 H 0 0 0 0 0 0 0 0 0 1.6927 -10.3857 0.5691 H 0 0 0 0 0 0 0 0 0 3.2540 -0.0504 0.7221 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 25 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 22 1 0 0 0 0 7 11 1 0 0 0 0 7 8 1 0 0 0 0 7 25 2 0 0 0 0 8 16 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 25 38 1 0 0 0 0 M CHG 3 9 1 22 1 24 -1 M END > 658293 > K $$$$ 658350 1016 111283D 658350 58 61 0 1 V2000 4.1713 8.8278 11.4864 S 0 0 0 0 0 0 0 0 0 5.2858 9.2553 10.2619 C 0 0 0 0 0 0 0 0 0 5.8032 8.1887 9.6213 N 0 0 0 0 0 0 0 0 0 5.3380 7.0223 10.1098 C 0 0 0 0 0 0 0 0 0 4.4342 7.1761 11.1473 C 0 0 0 0 0 0 0 0 0 5.6423 10.5218 9.9355 N 0 0 0 0 0 0 0 0 0 5.1658 11.5154 10.5540 N 0 0 0 0 0 0 0 0 0 5.4315 12.7151 10.2983 C 0 0 0 0 0 0 0 0 0 3.7761 6.0414 11.8773 C 0 0 0 0 0 0 0 0 0 2.5161 5.5285 11.2360 C 0 0 0 0 0 0 0 0 0 1.5839 5.3194 11.9723 O 0 0 0 0 0 0 0 0 0 2.4169 5.3046 9.8917 N 0 0 0 0 0 0 0 0 0 6.2358 14.9153 9.3981 C 0 0 0 0 0 0 0 0 0 6.7536 15.9845 8.7782 C 0 0 0 0 0 0 0 0 0 7.5598 15.8549 7.6814 N 0 0 0 0 0 0 0 0 0 5.3390 14.9775 10.5900 C 0 0 0 0 0 0 0 0 0 5.0057 16.0119 11.1169 O 0 0 0 0 0 0 0 0 0 4.9320 13.7558 11.0256 N 0 0 0 0 0 0 0 0 0 4.0554 13.5944 12.1540 C 0 0 0 0 0 0 0 0 0 4.8856 13.2945 13.3990 C 0 0 0 0 0 0 0 0 0 6.4921 13.2209 8.9535 S 0 0 0 0 0 0 0 0 0 9.5182 17.6012 5.1472 C 0 0 0 0 0 0 0 0 0 8.8839 16.5996 5.8706 C 0 0 0 0 0 0 0 0 0 8.1610 16.8937 7.0226 C 0 0 0 0 0 0 0 0 0 8.0894 18.2208 7.4407 C 0 0 0 0 0 0 0 0 0 8.7207 19.2276 6.7212 C 0 0 0 0 0 0 0 0 0 9.4362 18.9197 5.5725 C 0 0 0 0 0 0 0 0 0 1.3491 4.7247 9.2479 C 0 0 0 0 0 0 0 0 0 0.3458 4.0465 9.9387 C 0 0 0 0 0 0 0 0 0 -0.7372 3.4846 9.2759 C 0 0 0 0 0 0 0 0 0 -0.8306 3.5826 7.8964 C 0 0 0 0 0 0 0 0 0 0.1663 4.2401 7.1910 C 0 0 0 0 0 0 0 0 0 1.2497 4.8054 7.8565 C 0 0 0 0 0 0 0 0 0 2.2981 5.5000 7.0286 C 0 0 0 0 0 0 0 0 0 5.6364 6.0866 9.7364 H 0 0 0 0 0 0 0 0 0 6.2784 10.6327 9.2101 H 0 0 0 0 0 0 0 0 0 4.4681 5.2169 11.9563 H 0 0 0 0 0 0 0 0 0 3.5289 6.3763 12.8737 H 0 0 0 0 0 0 0 0 0 3.1691 5.5859 9.3534 H 0 0 0 0 0 0 0 0 0 6.5176 16.9322 9.1640 H 0 0 0 0 0 0 0 0 0 7.7192 14.9587 7.3405 H 0 0 0 0 0 0 0 0 0 3.4853 14.4983 12.3219 H 0 0 0 0 0 0 0 0 0 3.3633 12.7825 11.9786 H 0 0 0 0 0 0 0 0 0 5.4504 12.3855 13.2510 H 0 0 0 0 0 0 0 0 0 5.5681 14.1108 13.5865 H 0 0 0 0 0 0 0 0 0 4.2336 13.1731 14.2515 H 0 0 0 0 0 0 0 0 0 10.0590 17.3612 4.2793 H 0 0 0 0 0 0 0 0 0 8.9531 15.6056 5.5393 H 0 0 0 0 0 0 0 0 0 7.5589 18.4834 8.3052 H 0 0 0 0 0 0 0 0 0 8.6566 20.2242 7.0472 H 0 0 0 0 0 0 0 0 0 9.9133 19.6808 5.0279 H 0 0 0 0 0 0 0 0 0 0.3865 3.9424 10.9798 H 0 0 0 0 0 0 0 0 0 -1.4853 2.9855 9.8191 H 0 0 0 0 0 0 0 0 0 -1.6495 3.1618 7.3900 H 0 0 0 0 0 0 0 0 0 0.0939 4.3074 6.1449 H 0 0 0 0 0 0 0 0 0 3.2348 4.9695 7.1184 H 0 0 0 0 0 0 0 0 0 2.0175 5.5238 5.9853 H 0 0 0 0 0 0 0 0 0 2.4219 6.5159 7.3736 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 8 21 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 28 1 0 0 0 0 12 39 1 0 0 0 0 13 21 1 0 0 0 0 13 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 24 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 33 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 M END > 658350 > K $$$$ 658388 1016 111283D 658388 47 49 0 1 V2000 2.9039 -14.0772 1.0602 C 0 0 0 0 0 0 0 0 0 2.5861 -12.7244 1.1318 C 0 0 0 0 0 0 0 0 0 3.0971 -11.8740 0.1618 C 0 0 0 0 0 0 0 0 0 3.9074 -12.3661 -0.8458 C 0 0 0 0 0 0 0 0 0 4.2336 -13.7117 -0.9285 C 0 0 0 0 0 0 0 0 0 3.7180 -14.5660 0.0408 C 0 0 0 0 0 0 0 0 0 2.9397 -10.5412 -0.0015 N 0 0 0 0 0 0 0 0 0 3.6428 -10.1820 -1.1031 C 0 0 0 0 0 0 0 0 0 4.2563 -11.2942 -1.6441 C 0 0 0 0 0 0 0 0 0 3.8282 -8.8467 -1.7654 C 0 0 0 0 0 0 0 0 0 4.4156 -8.8101 -3.0016 N 0 0 0 0 0 0 0 0 0 4.6895 -10.0329 -3.7312 C 0 0 0 0 0 0 0 0 0 5.1200 -11.2267 -2.8680 C 0 0 0 0 0 0 0 0 0 3.4721 -7.8241 -1.2282 O 0 0 0 0 0 0 0 0 0 2.1735 -9.6517 0.8266 C 0 0 0 0 0 0 0 0 0 4.7584 -7.5368 -3.5790 C 0 0 0 0 0 0 0 0 0 6.1408 -7.1376 -3.0621 C 0 0 0 0 0 0 0 0 0 6.6054 -5.7995 -3.6400 C 0 0 0 0 0 0 0 0 0 7.9701 -5.4048 -3.0712 C 0 0 0 0 0 0 0 0 0 8.9930 -6.4185 -3.3281 N 0 0 0 0 0 0 0 0 0 9.4040 -6.5496 -4.7242 C 0 0 0 0 0 0 0 0 0 10.1340 -6.3238 -2.4222 C 0 0 0 0 0 0 0 0 0 2.5248 -14.7376 1.7839 H 0 0 0 0 0 0 0 0 0 1.9743 -12.3552 1.9005 H 0 0 0 0 0 0 0 0 0 4.8491 -14.0747 -1.6982 H 0 0 0 0 0 0 0 0 0 3.9455 -15.5909 0.0039 H 0 0 0 0 0 0 0 0 0 3.7738 -10.3060 -4.2374 H 0 0 0 0 0 0 0 0 0 5.4478 -9.8678 -4.4842 H 0 0 0 0 0 0 0 0 0 6.1424 -11.0807 -2.5509 H 0 0 0 0 0 0 0 0 0 5.0497 -12.1420 -3.4375 H 0 0 0 0 0 0 0 0 0 2.8054 -9.2696 1.6157 H 0 0 0 0 0 0 0 0 0 1.8028 -8.8206 0.2436 H 0 0 0 0 0 0 0 0 0 1.3318 -10.1676 1.2643 H 0 0 0 0 0 0 0 0 0 4.7786 -7.6016 -4.6581 H 0 0 0 0 0 0 0 0 0 4.0358 -6.7831 -3.2961 H 0 0 0 0 0 0 0 0 0 6.1018 -7.0664 -1.9841 H 0 0 0 0 0 0 0 0 0 6.8500 -7.9083 -3.3297 H 0 0 0 0 0 0 0 0 0 6.6534 -5.8677 -4.7169 H 0 0 0 0 0 0 0 0 0 5.8947 -5.0284 -3.3805 H 0 0 0 0 0 0 0 0 0 8.2738 -4.4551 -3.4891 H 0 0 0 0 0 0 0 0 0 7.8437 -5.2730 -2.0045 H 0 0 0 0 0 0 0 0 0 9.9083 -5.6509 -5.0510 H 0 0 0 0 0 0 0 0 0 10.0761 -7.3890 -4.8326 H 0 0 0 0 0 0 0 0 0 8.5517 -6.7259 -5.3632 H 0 0 0 0 0 0 0 0 0 10.7948 -7.1667 -2.5676 H 0 0 0 0 0 0 0 0 0 10.6813 -5.4090 -2.6028 H 0 0 0 0 0 0 0 0 0 9.7959 -6.3357 -1.3955 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 9 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 15 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 M END > 658388 > K $$$$ 658494 1016 111283D 658494 48 51 0 1 V2000 4.8768 0.3592 6.4163 C 0 0 0 0 0 0 0 0 0 5.7860 -0.6328 6.3275 N 0 0 0 0 0 0 0 0 0 5.3528 -1.6866 7.0750 C 0 0 0 0 0 0 0 0 0 4.0925 -1.4423 7.5649 N 0 0 0 0 0 0 0 0 0 3.7334 -0.1692 7.2205 C 0 0 0 0 0 0 0 0 0 6.1033 -2.6839 7.2117 N 0 0 0 0 0 0 0 0 0 4.9993 1.4567 5.9274 O 0 0 0 0 0 0 0 0 0 2.5932 0.4668 7.5443 C 0 0 0 0 0 0 0 0 0 2.3818 2.0645 5.5924 C 0 0 0 0 0 0 0 0 0 2.1086 1.7572 6.9225 C 0 0 0 0 0 0 0 0 0 1.3675 2.6617 7.6785 C 0 0 0 0 0 0 0 0 0 0.9177 3.8503 7.1161 C 0 0 0 0 0 0 0 0 0 1.2055 4.1511 5.7918 C 0 0 0 0 0 0 0 0 0 1.9402 3.2545 5.0294 C 0 0 0 0 0 0 0 0 0 6.9392 -0.5483 5.6008 C 0 0 0 0 0 0 0 0 0 7.4759 -1.5632 4.9018 C 0 0 0 0 0 0 0 0 0 6.7856 -2.8534 4.5855 C 0 0 0 0 0 0 0 0 0 5.6093 -3.0257 4.8015 O 0 0 0 0 0 0 0 0 0 8.8696 -1.4485 4.3686 C 0 0 0 0 0 0 0 0 0 9.4731 -0.4163 4.5369 O 0 0 0 0 0 0 0 0 0 9.4991 -2.4568 3.6985 O 0 0 0 0 0 0 0 0 0 7.8237 -6.2335 3.2522 C 0 0 0 0 0 0 0 0 0 7.0570 -5.2218 3.8152 C 0 0 0 0 0 0 0 0 0 7.5969 -3.9514 3.9786 C 0 0 0 0 0 0 0 0 0 8.9021 -3.6795 3.5802 C 0 0 0 0 0 0 0 0 0 9.6621 -4.7001 3.0232 C 0 0 0 0 0 0 0 0 0 9.1288 -5.9721 2.8570 C 0 0 0 0 0 0 0 0 0 6.0388 -3.7660 8.0266 C 0 0 0 0 0 0 0 0 0 6.1768 -4.8690 7.5562 O 0 0 0 0 0 0 0 0 0 5.8162 -3.6284 9.5035 C 0 0 0 0 0 0 0 0 0 0.9849 2.3358 9.3465 Cl 0 0 0 0 0 0 0 0 0 3.2526 -2.3476 8.3071 C 0 0 0 0 0 0 0 0 0 1.9884 0.0371 8.2861 H 0 0 0 0 0 0 0 0 0 2.9250 1.3976 4.9917 H 0 0 0 0 0 0 0 0 0 0.3577 4.5251 7.6939 H 0 0 0 0 0 0 0 0 0 0.8699 5.0519 5.3676 H 0 0 0 0 0 0 0 0 0 2.1625 3.4741 4.0262 H 0 0 0 0 0 0 0 0 0 7.4410 0.3764 5.5898 H 0 0 0 0 0 0 0 0 0 7.4172 -7.1945 3.1261 H 0 0 0 0 0 0 0 0 0 6.0698 -5.4186 4.1182 H 0 0 0 0 0 0 0 0 0 10.6498 -4.5031 2.7263 H 0 0 0 0 0 0 0 0 0 9.7123 -6.7359 2.4324 H 0 0 0 0 0 0 0 0 0 5.8079 -2.5836 9.7751 H 0 0 0 0 0 0 0 0 0 4.8791 -4.0870 9.7813 H 0 0 0 0 0 0 0 0 0 6.6190 -4.1220 10.0306 H 0 0 0 0 0 0 0 0 0 3.4412 -3.3720 8.0243 H 0 0 0 0 0 0 0 0 0 3.4233 -2.2232 9.3670 H 0 0 0 0 0 0 0 0 0 2.2101 -2.1484 8.1052 H 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 8 2 0 0 0 0 6 28 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 31 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 M END > 658494 > K $$$$ 658709 1016 111283D 658709 37 38 0 1 V2000 -0.0502 5.3680 -3.6816 C 0 0 0 0 0 0 0 0 0 -0.5652 6.4305 -4.4067 C 0 0 0 0 0 0 0 0 0 0.1550 7.6111 -4.5150 C 0 0 0 0 0 0 0 0 0 1.3925 7.7364 -3.9010 C 0 0 0 0 0 0 0 0 0 1.9161 6.6796 -3.1745 C 0 0 0 0 0 0 0 0 0 1.1927 5.4922 -3.0644 C 0 0 0 0 0 0 0 0 0 1.7467 4.3550 -2.2884 C 0 0 0 0 0 0 0 0 0 1.4443 3.2189 -2.5742 O 0 0 0 0 0 0 0 0 0 2.6682 4.6149 -1.1672 C 0 0 0 0 0 0 0 0 0 2.4545 5.6667 -0.3513 C 0 0 0 0 0 0 0 0 0 3.4313 6.0717 0.4988 O 0 0 0 0 0 0 0 0 0 1.1523 6.3814 -0.3767 C 0 0 0 0 0 0 0 0 0 0.1218 5.7556 -0.4937 O 0 0 0 0 0 0 0 0 0 1.1171 7.7281 -0.2749 N 0 0 0 0 0 0 0 0 0 -2.3797 8.6767 0.3342 C 0 0 0 0 0 0 0 0 0 -2.5155 9.7448 -0.5415 C 0 0 0 0 0 0 0 0 0 -1.4430 10.1447 -1.3300 C 0 0 0 0 0 0 0 0 0 -0.2333 9.4733 -1.2416 C 0 0 0 0 0 0 0 0 0 -0.0949 8.4009 -0.3650 C 0 0 0 0 0 0 0 0 0 -1.1723 8.0040 0.4223 C 0 0 0 0 0 0 0 0 0 -3.7036 10.4046 -0.6284 O 0 0 0 0 0 0 0 0 0 -4.8288 9.9734 0.1705 C 0 0 0 0 0 0 0 0 0 -0.6127 4.4564 -3.5962 H 0 0 0 0 0 0 0 0 0 -1.5218 6.3398 -4.8847 H 0 0 0 0 0 0 0 0 0 -0.2473 8.4324 -5.0775 H 0 0 0 0 0 0 0 0 0 1.9447 8.6525 -3.9890 H 0 0 0 0 0 0 0 0 0 2.8755 6.7794 -2.7006 H 0 0 0 0 0 0 0 0 0 3.5064 3.9628 -1.0070 H 0 0 0 0 0 0 0 0 0 3.2756 6.8241 1.0834 H 0 0 0 0 0 0 0 0 0 1.9434 8.2220 -0.1411 H 0 0 0 0 0 0 0 0 0 -3.2089 8.3723 0.9450 H 0 0 0 0 0 0 0 0 0 -1.5488 10.9715 -2.0067 H 0 0 0 0 0 0 0 0 0 0.5955 9.7804 -1.8512 H 0 0 0 0 0 0 0 0 0 -1.0672 7.1773 1.0999 H 0 0 0 0 0 0 0 0 0 -5.0834 8.9433 -0.0797 H 0 0 0 0 0 0 0 0 0 -4.5730 10.0352 1.2285 H 0 0 0 0 0 0 0 0 0 -5.6868 10.6154 -0.0306 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 15 31 1 0 0 0 0 16 21 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END > 658709 > K $$$$ 659174 1016 111283D 659174 30 29 1 1 V2000 1.8577 1.6282 0.2861 C 0 0 0 0 0 0 0 0 0 1.2162 3.2905 0.5577 Cl 0 0 0 0 0 0 0 0 0 1.6689 1.3924 -1.0624 F 0 0 0 0 0 0 0 0 0 3.2234 1.6306 0.4950 F 0 0 0 0 0 0 0 0 0 1.1269 0.5618 1.1294 C 0 0 1 0 0 0 0 0 0 1.4642 0.7734 2.6242 C 0 0 0 0 0 0 0 0 0 2.7751 0.4508 2.9214 F 0 0 0 0 0 0 0 0 0 1.2376 2.0603 3.0682 F 0 0 0 0 0 0 0 0 0 0.6857 -0.0332 3.4308 F 0 0 0 0 0 0 0 0 0 -0.2781 0.6829 0.9451 O 0 0 0 0 0 0 0 0 0 1.5726 -0.8398 0.6665 C 0 0 0 0 0 0 0 0 0 0.8039 -1.9358 1.3422 C 0 0 0 0 0 0 0 0 0 -0.3316 -2.1498 0.9973 O 0 0 0 0 0 0 0 0 0 1.4006 -2.7746 2.4328 C 0 0 0 0 0 0 0 0 0 1.7738 -4.1898 1.9477 C 0 0 1 0 0 0 0 0 0 0.6284 -4.7916 1.3572 O 0 0 0 0 0 0 0 0 0 2.9106 -4.1235 0.9008 C 0 0 0 0 0 0 0 0 0 3.4048 -5.3600 0.5380 F 0 0 0 0 0 0 0 0 0 2.4735 -3.5461 -0.2751 F 0 0 0 0 0 0 0 0 0 3.9766 -3.3529 1.3256 F 0 0 0 0 0 0 0 0 0 2.2411 -5.0305 3.1549 C 0 0 0 0 0 0 0 0 0 3.4106 -4.5551 3.7162 F 0 0 0 0 0 0 0 0 0 1.2898 -5.0096 4.1572 F 0 0 0 0 0 0 0 0 0 2.4468 -6.7749 2.7510 Cl 0 0 0 0 0 0 0 0 0 -0.5343 0.4454 0.0566 H 0 0 0 0 0 0 0 0 0 1.3824 -0.9482 -0.3911 H 0 0 0 0 0 0 0 0 0 2.6320 -0.9744 0.8293 H 0 0 0 0 0 0 0 0 0 2.2626 -2.2778 2.8537 H 0 0 0 0 0 0 0 0 0 0.6475 -2.8439 3.2038 H 0 0 0 0 0 0 0 0 0 -0.1277 -4.7449 1.9382 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 10 1 6 0 0 0 5 6 1 0 0 0 0 5 11 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 1 0 0 0 15 17 1 6 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 21 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M END > 659174 > K $$$$ 659501 1016 111283D 659501 28 30 0 1 V2000 -0.0226 1.3829 0.0087 C 0 0 0 0 0 0 0 0 0 -0.0006 -0.0075 0.0022 C 0 0 0 0 0 0 0 0 0 1.2172 -0.6799 -0.0135 C 0 0 0 0 0 0 0 0 0 2.4107 0.0474 -0.0189 C 0 0 0 0 0 0 0 0 0 2.3857 1.4383 -0.0114 C 0 0 0 0 0 0 0 0 0 1.1650 2.1041 0.0023 C 0 0 0 0 0 0 0 0 0 1.2125 -2.1728 -0.0231 C 0 0 0 0 0 0 0 0 0 2.5362 -2.8718 -0.0506 C 0 0 0 0 0 0 0 0 0 3.6679 -2.1403 -0.0852 C 0 0 0 0 0 0 0 0 0 0.1720 -2.7899 -0.0031 O 0 0 0 0 0 0 0 0 0 4.9742 -3.3281 -0.1922 S 0 0 0 0 0 0 0 0 0 3.9101 -4.7559 -0.4480 C 0 0 0 0 0 0 0 0 0 2.6905 -4.2480 -0.0304 N 0 0 0 0 0 0 0 0 0 3.7271 -0.6588 -0.0341 C 0 0 0 0 0 0 0 0 0 4.7763 -0.0595 -0.0062 O 0 0 0 0 0 0 0 0 0 4.2079 -5.9245 -0.8981 N 0 0 0 0 0 0 0 0 0 1.6226 -5.1224 0.4340 C 0 0 0 0 0 0 0 0 0 5.5799 -6.2542 -1.2895 C 0 0 0 0 0 0 0 0 0 -0.9576 1.9015 0.0171 H 0 0 0 0 0 0 0 0 0 -0.9222 -0.5536 0.0080 H 0 0 0 0 0 0 0 0 0 3.2994 1.9970 -0.0162 H 0 0 0 0 0 0 0 0 0 1.1380 3.1733 0.0073 H 0 0 0 0 0 0 0 0 0 1.9542 -6.1587 0.3853 H 0 0 0 0 0 0 0 0 0 1.3660 -4.8763 1.4657 H 0 0 0 0 0 0 0 0 0 0.7435 -4.9946 -0.1948 H 0 0 0 0 0 0 0 0 0 5.6358 -7.2831 -1.6442 H 0 0 0 0 0 0 0 0 0 5.9013 -5.5820 -2.0849 H 0 0 0 0 0 0 0 0 0 6.2388 -6.1343 -0.4297 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 14 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 2 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 16 18 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > 659501 > K $$$$ 659999 1016 111283D 659999 48 50 0 1 V2000 6.0657 -0.5386 5.3217 C 0 0 0 0 0 0 0 0 0 4.9516 -1.3477 5.1620 C 0 0 0 0 0 0 0 0 0 5.0241 -2.4698 4.3336 C 0 0 0 0 0 0 0 0 0 6.2171 -2.7742 3.6757 C 0 0 0 0 0 0 0 0 0 7.3321 -1.9505 3.8433 C 0 0 0 0 0 0 0 0 0 7.2483 -0.8376 4.6656 C 0 0 0 0 0 0 0 0 0 3.8653 -0.9306 5.8667 O 0 0 0 0 0 0 0 0 0 8.5523 -2.1186 3.2668 O 0 0 0 0 0 0 0 0 0 3.8328 -3.3732 4.1275 C 0 0 0 0 0 0 0 0 0 2.7799 -3.1603 4.6788 O 0 0 0 0 0 0 0 0 0 3.9127 -4.5734 3.2263 C 0 0 0 0 0 0 0 0 0 5.0607 -4.8688 2.6030 C 0 0 0 0 0 0 0 0 0 5.2040 -6.3882 1.4639 Br 0 0 0 0 0 0 0 0 0 6.2673 -3.9987 2.7927 C 0 0 0 0 0 0 0 0 0 7.2753 -4.3190 2.2114 O 0 0 0 0 0 0 0 0 0 2.7264 -5.3705 3.0684 N 0 0 0 0 0 0 0 0 0 2.6450 -6.6497 3.7622 C 0 0 0 0 0 0 0 0 0 1.1726 -6.9820 4.0025 C 0 0 0 0 0 0 0 0 0 0.4040 -6.9200 2.7565 N 0 0 0 0 0 0 0 0 0 0.5321 -5.6289 2.0774 C 0 0 0 0 0 0 0 0 0 1.9967 -5.2880 1.8095 C 0 0 0 0 0 0 0 0 0 -0.9961 -7.3307 2.8843 C 0 0 0 0 0 0 0 0 0 -1.2070 -8.8142 3.1993 C 0 0 0 0 0 0 0 0 0 -0.8706 -9.6533 2.1102 O 0 0 0 0 0 0 0 0 0 0.5186 -9.8633 1.9374 C 0 0 0 0 0 0 0 0 0 0.6931 -10.8690 0.8074 C 0 0 0 0 0 0 0 0 0 2.0667 -11.0958 0.5730 O 0 0 0 0 0 0 0 0 0 6.0076 0.3048 5.9447 H 0 0 0 0 0 0 0 0 0 8.0897 -0.2210 4.7882 H 0 0 0 0 0 0 0 0 0 3.1178 -1.5076 5.7896 H 0 0 0 0 0 0 0 0 0 8.5958 -2.8590 2.6772 H 0 0 0 0 0 0 0 0 0 3.0909 -7.4261 3.1565 H 0 0 0 0 0 0 0 0 0 3.1557 -6.6045 4.7138 H 0 0 0 0 0 0 0 0 0 1.1264 -7.9699 4.4354 H 0 0 0 0 0 0 0 0 0 0.7704 -6.2718 4.7119 H 0 0 0 0 0 0 0 0 0 0.0131 -5.6501 1.1293 H 0 0 0 0 0 0 0 0 0 0.1033 -4.8494 2.6922 H 0 0 0 0 0 0 0 0 0 2.0572 -4.2923 1.3932 H 0 0 0 0 0 0 0 0 0 2.4012 -5.9955 1.0997 H 0 0 0 0 0 0 0 0 0 -1.4695 -6.7392 3.6557 H 0 0 0 0 0 0 0 0 0 -1.5152 -7.1472 1.9538 H 0 0 0 0 0 0 0 0 0 -0.6858 -9.0997 4.1012 H 0 0 0 0 0 0 0 0 0 -2.2634 -8.9529 3.3801 H 0 0 0 0 0 0 0 0 0 1.0242 -8.9514 1.6560 H 0 0 0 0 0 0 0 0 0 0.9719 -10.2645 2.8330 H 0 0 0 0 0 0 0 0 0 0.2011 -11.7903 1.0863 H 0 0 0 0 0 0 0 0 0 0.2191 -10.4699 -0.0785 H 0 0 0 0 0 0 0 0 0 2.1558 -11.7002 -0.1578 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 9 1 0 0 0 0 3 4 1 0 0 0 0 4 14 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 16 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END > 659999 > K $$$$ 662306 1016 111283D 662306 51 55 1 1 V2000 4.4854 4.4270 3.2264 C 0 0 0 0 0 0 0 0 0 5.7962 4.4734 3.6790 C 0 0 0 0 0 0 0 0 0 6.8087 4.6170 2.7352 C 0 0 0 0 0 0 0 0 0 6.5115 4.7118 1.3774 C 0 0 0 0 0 0 0 0 0 5.1940 4.6662 0.9326 C 0 0 0 0 0 0 0 0 0 4.1910 4.5230 1.8786 C 0 0 0 0 0 0 0 0 0 2.8237 4.4511 1.7144 N 0 0 0 0 0 0 0 0 0 2.2720 4.3058 2.9742 C 0 0 0 0 0 0 0 0 0 3.2910 4.2899 3.9112 C 0 0 0 0 0 0 0 0 0 0.8184 4.1803 3.3340 C 0 0 1 0 0 0 0 0 0 0.6788 3.9899 4.7607 N 0 0 0 0 0 0 0 0 0 1.7041 3.4599 5.6065 C 0 0 1 0 0 0 0 0 0 3.0571 4.1487 5.3861 C 0 0 0 0 0 0 0 0 0 1.0865 3.7123 6.9868 C 0 0 0 0 0 0 0 0 0 -0.2815 4.0305 6.8064 O 0 0 0 0 0 0 0 0 0 -0.4247 4.2747 5.4812 C 0 0 0 0 0 0 0 0 0 -1.4408 4.7051 4.9934 O 0 0 0 0 0 0 0 0 0 0.4649 6.6684 3.1991 C 0 0 0 0 0 0 0 0 0 0.0983 5.3905 2.7958 C 0 0 0 0 0 0 0 0 0 -0.9410 5.2326 1.8879 C 0 0 0 0 0 0 0 0 0 -1.6058 6.3379 1.3656 C 0 0 0 0 0 0 0 0 0 -1.2118 7.6121 1.7661 C 0 0 0 0 0 0 0 0 0 -0.1863 7.7890 2.6913 C 0 0 0 0 0 0 0 0 0 -2.6382 6.2477 0.4712 O 0 0 0 0 0 0 0 0 0 -3.0269 4.9785 -0.0162 C 0 0 0 0 0 0 0 0 0 -1.8388 8.7042 1.2436 O 0 0 0 0 0 0 0 0 0 -2.9585 9.0703 2.0218 C 0 0 0 0 0 0 0 0 0 0.1211 9.0734 3.0505 O 0 0 0 0 0 0 0 0 0 1.2087 9.3047 3.9231 C 0 0 0 0 0 0 0 0 0 6.0192 4.4024 4.7027 H 0 0 0 0 0 0 0 0 0 7.8102 4.6544 3.0501 H 0 0 0 0 0 0 0 0 0 7.2903 4.8190 0.6805 H 0 0 0 0 0 0 0 0 0 4.9617 4.7378 -0.0887 H 0 0 0 0 0 0 0 0 0 2.3417 4.4950 0.8730 H 0 0 0 0 0 0 0 0 0 0.4471 3.2907 2.8458 H 0 0 0 0 0 0 0 0 0 1.7857 2.3982 5.4179 H 0 0 0 0 0 0 0 0 0 3.8478 3.5785 5.8516 H 0 0 0 0 0 0 0 0 0 3.0376 5.1441 5.8060 H 0 0 0 0 0 0 0 0 0 1.1926 2.8414 7.6175 H 0 0 0 0 0 0 0 0 0 1.5649 4.5534 7.4692 H 0 0 0 0 0 0 0 0 0 1.2425 6.7789 3.8939 H 0 0 0 0 0 0 0 0 0 -1.2223 4.2653 1.5972 H 0 0 0 0 0 0 0 0 0 -3.8188 5.1172 -0.7377 H 0 0 0 0 0 0 0 0 0 -2.1994 4.4872 -0.5084 H 0 0 0 0 0 0 0 0 0 -3.4000 4.3610 0.7884 H 0 0 0 0 0 0 0 0 0 -3.4183 9.9403 1.5770 H 0 0 0 0 0 0 0 0 0 -3.6836 8.2684 2.0436 H 0 0 0 0 0 0 0 0 0 -2.6563 9.3167 3.0305 H 0 0 0 0 0 0 0 0 0 2.1245 8.9124 3.5037 H 0 0 0 0 0 0 0 0 0 1.3214 10.3709 4.0547 H 0 0 0 0 0 0 0 0 0 1.0194 8.8570 4.8882 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 1 0 0 0 10 35 1 6 0 0 0 11 16 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 12 13 1 1 0 0 0 12 36 1 6 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 23 2 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 22 2 0 0 0 0 22 26 1 0 0 0 0 22 23 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > 662306 > K $$$$ 662553 1016 111283D 662553 37 40 0 1 V2000 -0.1106 1.5685 0.4033 C 0 0 0 0 0 0 0 0 0 -0.2481 0.2134 0.5521 N 0 0 0 0 0 0 0 0 0 0.6460 -0.6638 1.0800 C 0 0 0 0 0 0 0 0 0 1.8908 -0.2743 1.8146 C 0 0 0 0 0 0 0 0 0 2.8030 0.4831 0.9059 C 0 0 0 0 0 0 0 0 0 2.4441 1.6074 0.1900 C 0 0 0 0 0 0 0 0 0 1.0906 2.2697 0.2588 C 0 0 0 0 0 0 0 0 0 3.5287 1.9702 -0.5419 N 0 0 0 0 0 0 0 0 0 4.5675 1.1554 -0.2466 N 0 0 0 0 0 0 0 0 0 4.1310 0.2236 0.6183 C 0 0 0 0 0 0 0 0 0 -1.3062 2.2809 0.3926 C 0 0 0 0 0 0 0 0 0 -1.3247 3.6635 0.2757 C 0 0 0 0 0 0 0 0 0 -0.1301 4.3578 0.1690 C 0 0 0 0 0 0 0 0 0 1.0672 3.6584 0.1682 C 0 0 0 0 0 0 0 0 0 4.9790 -0.8913 1.1505 C 0 0 0 0 0 0 0 0 0 3.6468 2.9752 -1.4570 C 0 0 0 0 0 0 0 0 0 4.8439 3.6763 -1.5333 C 0 0 0 0 0 0 0 0 0 4.9989 4.7119 -2.4457 C 0 0 0 0 0 0 0 0 0 3.9538 5.0507 -3.2948 C 0 0 0 0 0 0 0 0 0 2.7565 4.3507 -3.2300 C 0 0 0 0 0 0 0 0 0 2.6070 3.3144 -2.3171 C 0 0 0 0 0 0 0 0 0 0.4027 -1.8383 0.9471 O 0 0 0 0 0 0 0 0 0 -1.0793 -0.1916 0.2572 H 0 0 0 0 0 0 0 0 0 1.6219 0.3466 2.6554 H 0 0 0 0 0 0 0 0 0 2.3713 -1.1721 2.1723 H 0 0 0 0 0 0 0 0 0 -2.2167 1.7649 0.4764 H 0 0 0 0 0 0 0 0 0 -2.2385 4.1812 0.2690 H 0 0 0 0 0 0 0 0 0 -0.1298 5.4054 0.0890 H 0 0 0 0 0 0 0 0 0 1.9670 4.1966 0.0985 H 0 0 0 0 0 0 0 0 0 4.8162 -1.7694 0.5429 H 0 0 0 0 0 0 0 0 0 6.0205 -0.6104 1.0913 H 0 0 0 0 0 0 0 0 0 4.7259 -1.1073 2.1773 H 0 0 0 0 0 0 0 0 0 5.6352 3.4204 -0.8925 H 0 0 0 0 0 0 0 0 0 5.9070 5.2384 -2.4923 H 0 0 0 0 0 0 0 0 0 4.0693 5.8343 -3.9849 H 0 0 0 0 0 0 0 0 0 1.9639 4.6048 -3.8720 H 0 0 0 0 0 0 0 0 0 1.7011 2.7850 -2.2817 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 2 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 22 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 M END > 662553 > K $$$$ 662825 1016 111283D 662825 30 29 1 1 V2000 0.4726 0.0247 -1.4692 C 0 0 0 0 0 0 0 0 0 0.8343 0.1414 0.0180 C 0 0 1 0 0 0 0 0 0 -0.6180 0.7690 0.8875 Cl 0 0 0 0 0 0 0 0 0 1.1213 -1.2499 0.5959 C 0 0 0 0 0 0 0 0 0 2.0071 1.0742 0.2169 C 0 0 0 0 0 0 0 0 0 3.2340 0.7783 -0.2323 C 0 0 0 0 0 0 0 0 0 1.7863 2.5892 1.0488 Cl 0 0 0 0 0 0 0 0 0 1.6844 -1.1602 2.4814 Br 0 0 0 0 0 0 0 0 0 0.2327 1.3828 -2.1378 C 0 0 0 0 0 0 0 0 0 -0.1426 1.2423 -3.6165 C 0 0 1 0 0 0 0 0 0 -1.9461 0.4490 -3.7322 Br 0 0 0 0 0 0 0 0 0 -0.0533 2.5676 -4.3918 C 0 0 0 0 0 0 0 0 0 1.6643 3.1173 -4.3946 Cl 0 0 0 0 0 0 0 0 0 -0.4433 2.3627 -5.8579 C 0 0 0 0 0 0 0 0 0 -0.9005 3.6868 -3.7796 C 0 0 0 0 0 0 0 0 0 1.2759 -0.4754 -1.9918 H 0 0 0 0 0 0 0 0 0 -0.4194 -0.5786 -1.5587 H 0 0 0 0 0 0 0 0 0 0.2286 -1.8555 0.5349 H 0 0 0 0 0 0 0 0 0 1.9029 -1.7363 0.0308 H 0 0 0 0 0 0 0 0 0 3.4178 -0.1191 -0.7446 H 0 0 0 0 0 0 0 0 0 4.0241 1.4509 -0.0710 H 0 0 0 0 0 0 0 0 0 -0.5573 1.9059 -1.6183 H 0 0 0 0 0 0 0 0 0 1.1391 1.9652 -2.0621 H 0 0 0 0 0 0 0 0 0 0.5540 0.5566 -4.0781 H 0 0 0 0 0 0 0 0 0 -1.4876 2.0990 -5.9399 H 0 0 0 0 0 0 0 0 0 -0.2706 3.2733 -6.4131 H 0 0 0 0 0 0 0 0 0 0.1550 1.5745 -6.2915 H 0 0 0 0 0 0 0 0 0 -0.7981 4.5861 -4.3696 H 0 0 0 0 0 0 0 0 0 -1.9414 3.3999 -3.7537 H 0 0 0 0 0 0 0 0 0 -0.5664 3.9009 -2.7749 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 6 0 0 0 2 4 1 1 0 0 0 2 5 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 10 24 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 M END > 662825 > K $$$$ 663996 1016 111283D 663996 36 38 0 1 V2000 -0.3660 1.0589 -0.4143 C 0 0 0 0 0 0 0 0 0 -0.8658 -0.1688 -0.8173 C 0 0 0 0 0 0 0 0 0 0.0012 -1.1528 -1.2509 C 0 0 0 0 0 0 0 0 0 1.3628 -0.9065 -1.2774 C 0 0 0 0 0 0 0 0 0 1.8690 0.3267 -0.8697 C 0 0 0 0 0 0 0 0 0 1.0064 1.3093 -0.4426 C 0 0 0 0 0 0 0 0 0 1.4806 2.6684 -0.0027 C 0 0 0 0 0 0 0 0 0 2.9723 2.6460 0.3182 C 0 0 0 0 0 0 0 0 0 3.7189 2.0031 -0.8540 C 0 0 0 0 0 0 0 0 0 3.3611 0.5207 -0.9115 C 0 0 0 0 0 0 0 0 0 2.2147 -1.8765 -1.7046 O 0 0 0 0 0 0 0 0 0 1.6949 -3.1651 -2.1262 C 0 0 0 0 0 0 0 0 0 -1.2460 2.0589 0.0195 N 0 0 0 0 0 0 0 0 0 -2.2997 1.7378 0.8420 C 0 0 0 0 0 0 0 0 0 -3.2688 2.5591 1.1017 N 0 0 0 0 0 0 0 0 0 -2.4206 0.5384 1.4466 O 0 0 0 0 0 0 0 0 0 -3.3962 0.6935 2.5298 C 0 0 0 0 0 0 0 0 0 -4.2198 1.9026 2.0190 C 0 0 0 0 0 0 0 0 0 -1.9291 -0.3558 -0.7920 H 0 0 0 0 0 0 0 0 0 -0.3823 -2.1114 -1.5679 H 0 0 0 0 0 0 0 0 0 1.2962 3.3880 -0.8004 H 0 0 0 0 0 0 0 0 0 0.9272 2.9707 0.8865 H 0 0 0 0 0 0 0 0 0 3.3300 3.6652 0.4643 H 0 0 0 0 0 0 0 0 0 3.1427 2.0634 1.2235 H 0 0 0 0 0 0 0 0 0 3.4229 2.4865 -1.7851 H 0 0 0 0 0 0 0 0 0 4.7934 2.1141 -0.7080 H 0 0 0 0 0 0 0 0 0 3.8128 0.0099 -0.0610 H 0 0 0 0 0 0 0 0 0 3.7525 0.0930 -1.8345 H 0 0 0 0 0 0 0 0 0 1.1606 -3.6301 -1.2978 H 0 0 0 0 0 0 0 0 0 1.0133 -3.0250 -2.9652 H 0 0 0 0 0 0 0 0 0 2.5207 -3.8075 -2.4322 H 0 0 0 0 0 0 0 0 0 -1.1117 2.9779 -0.2605 H 0 0 0 0 0 0 0 0 0 -4.0223 -0.1938 2.6238 H 0 0 0 0 0 0 0 0 0 -2.9013 0.9237 3.4733 H 0 0 0 0 0 0 0 0 0 -4.4901 2.5669 2.8397 H 0 0 0 0 0 0 0 0 0 -5.1078 1.5667 1.4836 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 M END > 663996 > K $$$$ 664173 1016 111283D 664173 40 42 0 1 V2000 -2.2395 -6.8970 -1.9272 C 0 0 0 0 0 0 0 0 0 -1.1369 -6.1733 -1.5610 N 0 0 0 0 0 0 0 0 0 -1.1848 -4.9080 -1.0256 C 0 0 0 0 0 0 0 0 0 -2.3663 -4.2990 -0.8290 C 0 0 0 0 0 0 0 0 0 -3.6292 -4.9948 -1.2172 C 0 0 0 0 0 0 0 0 0 -3.5148 -6.3640 -1.8023 C 0 0 0 0 0 0 0 0 0 -2.1045 -8.1828 -2.4338 C 0 0 0 0 0 0 0 0 0 -3.2249 -8.9040 -2.8274 C 0 0 0 0 0 0 0 0 0 -4.5065 -8.3637 -2.7350 C 0 0 0 0 0 0 0 0 0 -4.6328 -7.0806 -2.2072 C 0 0 0 0 0 0 0 0 0 0.1016 -4.1975 -0.6562 C 0 0 0 0 0 0 0 0 0 1.2454 -4.9339 -0.3603 C 0 0 0 0 0 0 0 0 0 2.4421 -4.3077 -0.0242 C 0 0 0 0 0 0 0 0 0 2.4886 -2.9218 0.0205 C 0 0 0 0 0 0 0 0 0 1.3578 -2.1703 -0.2663 C 0 0 0 0 0 0 0 0 0 0.1717 -2.8072 -0.6047 C 0 0 0 0 0 0 0 0 0 3.6000 -4.9683 0.2683 O 0 0 0 0 0 0 0 0 0 3.5092 -6.3213 0.6723 C 0 0 0 0 0 0 0 0 0 -0.2708 -6.5885 -1.6970 H 0 0 0 0 0 0 0 0 0 -4.7007 -4.4594 -1.0580 O 0 0 0 0 0 0 0 0 0 -5.6113 -9.0726 -3.1504 N 0 0 0 0 0 0 0 0 0 -5.4797 -10.3020 -3.8971 C 0 0 0 0 0 0 0 0 0 -6.9498 -8.6146 -2.8573 C 0 0 0 0 0 0 0 0 0 -2.4282 -3.3418 -0.4052 H 0 0 0 0 0 0 0 0 0 -1.1506 -8.6134 -2.5201 H 0 0 0 0 0 0 0 0 0 -3.0863 -9.8747 -3.1996 H 0 0 0 0 0 0 0 0 0 -5.5770 -6.6336 -2.1085 H 0 0 0 0 0 0 0 0 0 1.2115 -5.9802 -0.3879 H 0 0 0 0 0 0 0 0 0 3.3888 -2.4456 0.2743 H 0 0 0 0 0 0 0 0 0 1.4000 -1.1209 -0.2276 H 0 0 0 0 0 0 0 0 0 -0.6692 -2.2179 -0.8241 H 0 0 0 0 0 0 0 0 0 2.7575 -6.4482 1.4397 H 0 0 0 0 0 0 0 0 0 3.2820 -6.9510 -0.1755 H 0 0 0 0 0 0 0 0 0 4.4630 -6.6236 1.0799 H 0 0 0 0 0 0 0 0 0 -4.7612 -10.1831 -4.6951 H 0 0 0 0 0 0 0 0 0 -5.1537 -11.0917 -3.2353 H 0 0 0 0 0 0 0 0 0 -6.4169 -10.5997 -4.3451 H 0 0 0 0 0 0 0 0 0 -7.0354 -8.3389 -1.8159 H 0 0 0 0 0 0 0 0 0 -7.1779 -7.7570 -3.4742 H 0 0 0 0 0 0 0 0 0 -7.6875 -9.3791 -3.0538 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 20 2 0 0 0 0 5 6 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 21 1 0 0 0 0 9 10 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 17 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END > 664173 > K $$$$ 664181 1016 111283D 664181 34 34 1 1 V2000 0.2021 1.7228 0.1167 C 0 0 0 0 0 0 0 0 0 0.6457 0.6317 -0.1405 O 0 0 0 0 0 0 0 0 0 1.0734 2.8227 0.6387 C 0 0 1 0 0 0 0 0 0 0.0055 3.8854 0.9153 C 0 0 0 0 0 0 0 0 0 -1.0620 3.5935 -0.1384 C 0 0 0 0 0 0 0 0 0 -1.2436 2.0741 -0.0640 C 0 0 1 0 0 0 0 0 0 -1.9320 1.3567 -1.2473 C 0 0 0 0 0 0 0 0 0 -1.0061 1.3607 -2.3298 O 0 0 0 0 0 0 0 0 0 -2.3749 -0.0684 -0.8279 C 0 0 0 0 0 0 0 0 0 -3.2050 2.1243 -1.6774 C 0 0 0 0 0 0 0 0 0 -3.9722 1.4649 -2.6174 F 0 0 0 0 0 0 0 0 0 -4.0239 2.4332 -0.6070 F 0 0 0 0 0 0 0 0 0 -2.8832 3.3252 -2.2789 F 0 0 0 0 0 0 0 0 0 -2.8376 -0.8117 -1.8955 F 0 0 0 0 0 0 0 0 0 -1.3422 -0.8196 -0.3070 F 0 0 0 0 0 0 0 0 0 -3.3482 -0.0638 0.1533 F 0 0 0 0 0 0 0 0 0 2.0500 2.4126 1.7646 C 0 0 0 0 0 0 0 0 0 2.8740 1.3939 1.2063 O 0 0 0 0 0 0 0 0 0 2.9738 3.6043 2.0992 C 0 0 0 0 0 0 0 0 0 3.6690 4.0070 0.9749 F 0 0 0 0 0 0 0 0 0 2.2940 4.7225 2.5432 F 0 0 0 0 0 0 0 0 0 3.9255 3.2953 3.0507 F 0 0 0 0 0 0 0 0 0 1.3680 1.9330 3.0675 C 0 0 0 0 0 0 0 0 0 2.2727 1.3274 3.9161 F 0 0 0 0 0 0 0 0 0 0.7347 2.9286 3.7850 F 0 0 0 0 0 0 0 0 0 0.4024 0.9798 2.8101 F 0 0 0 0 0 0 0 0 0 1.6593 3.1435 -0.2110 H 0 0 0 0 0 0 0 0 0 -0.4412 3.7595 1.8902 H 0 0 0 0 0 0 0 0 0 0.3939 4.8893 0.8198 H 0 0 0 0 0 0 0 0 0 -1.9791 4.1232 0.0785 H 0 0 0 0 0 0 0 0 0 -0.6924 3.8848 -1.1127 H 0 0 0 0 0 0 0 0 0 -1.7678 1.8452 0.8538 H 0 0 0 0 0 0 0 0 0 -0.3421 0.6825 -2.2159 H 0 0 0 0 0 0 0 0 0 2.4104 0.5614 1.1391 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 3 17 1 1 0 0 0 3 4 1 0 0 0 0 3 27 1 6 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 6 0 0 0 6 32 1 1 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M END > 664181 > K $$$$ 664286 1016 111283D 664286 33 35 0 1 V2000 3.0721 -1.7005 -5.1670 C 0 0 0 0 0 0 0 0 0 2.7753 -1.9314 -3.7937 N 0 0 0 0 0 0 0 0 0 3.0595 -0.9422 -3.0882 C 0 0 0 0 0 0 0 0 0 3.5365 0.1316 -3.7640 O 0 0 0 0 0 0 0 0 0 3.4608 -0.2253 -5.1289 C 0 0 0 0 0 0 0 0 0 2.9138 -0.8961 -1.7390 N 0 0 0 0 0 0 0 0 0 2.6092 -2.0804 -0.8594 N 0 0 0 0 0 0 0 0 0 1.9864 -1.8242 0.4101 C 0 0 0 0 0 0 0 0 0 2.9057 -3.3625 -1.2303 C 0 0 0 0 0 0 0 0 0 4.0927 -3.6262 -1.9040 C 0 0 0 0 0 0 0 0 0 4.4204 -4.9213 -2.2881 C 0 0 0 0 0 0 0 0 0 5.6127 -5.1779 -2.9559 C 0 0 0 0 0 0 0 0 0 5.9320 -6.4737 -3.3402 C 0 0 0 0 0 0 0 0 0 5.0595 -7.5165 -3.0588 C 0 0 0 0 0 0 0 0 0 3.8687 -7.2645 -2.3901 C 0 0 0 0 0 0 0 0 0 3.5472 -5.9692 -2.0012 C 0 0 0 0 0 0 0 0 0 2.3596 -5.7111 -1.3272 C 0 0 0 0 0 0 0 0 0 2.0439 -4.4148 -0.9425 C 0 0 0 0 0 0 0 0 0 3.9040 -2.3177 -5.4744 H 0 0 0 0 0 0 0 0 0 2.2105 -1.8719 -5.7964 H 0 0 0 0 0 0 0 0 0 4.4101 -0.0653 -5.6203 H 0 0 0 0 0 0 0 0 0 2.6985 0.3732 -5.6070 H 0 0 0 0 0 0 0 0 0 3.0138 -0.0210 -1.3356 H 0 0 0 0 0 0 0 0 0 2.1431 -0.7959 0.6975 H 0 0 0 0 0 0 0 0 0 0.9244 -2.0080 0.3328 H 0 0 0 0 0 0 0 0 0 2.4077 -2.4663 1.1706 H 0 0 0 0 0 0 0 0 0 4.7465 -2.8335 -2.1199 H 0 0 0 0 0 0 0 0 0 6.2776 -4.3936 -3.1727 H 0 0 0 0 0 0 0 0 0 6.8338 -6.6653 -3.8438 H 0 0 0 0 0 0 0 0 0 5.3000 -8.4963 -3.3514 H 0 0 0 0 0 0 0 0 0 3.2133 -8.0584 -2.1805 H 0 0 0 0 0 0 0 0 0 1.6950 -6.4938 -1.1057 H 0 0 0 0 0 0 0 0 0 1.1452 -4.2308 -0.4330 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 M END > 664286 > K $$$$ 664298 1016 111283D 664298 31 32 1 1 V2000 -0.8745 0.6724 2.1096 C 0 0 0 0 0 0 0 0 0 -0.3175 -0.1436 1.0993 O 0 0 0 0 0 0 0 0 0 0.8969 -0.4840 1.5939 C 0 0 0 0 0 0 0 0 0 1.2758 0.1907 2.5735 N 0 0 0 0 0 0 0 0 0 0.3161 1.1876 2.9095 C 0 0 0 0 0 0 0 0 0 1.6236 -1.4895 1.0473 N 0 0 0 0 0 0 0 0 0 2.8619 -1.9450 1.6269 C 0 0 1 0 0 0 0 0 0 2.5518 -3.0897 2.5953 C 0 0 0 0 0 0 0 0 0 -0.5396 -2.3179 4.6380 C 0 0 0 0 0 0 0 0 0 0.2850 -2.7798 3.6213 C 0 0 0 0 0 0 0 0 0 1.6604 -2.5932 3.6986 C 0 0 0 0 0 0 0 0 0 2.2081 -1.9411 4.7965 C 0 0 0 0 0 0 0 0 0 1.3840 -1.4791 5.8139 C 0 0 0 0 0 0 0 0 0 0.0103 -1.6671 5.7345 C 0 0 0 0 0 0 0 0 0 3.8436 -2.4307 0.5617 C 0 0 0 0 0 0 0 0 0 -1.4567 1.4848 1.6983 H 0 0 0 0 0 0 0 0 0 -1.4964 0.0571 2.7457 H 0 0 0 0 0 0 0 0 0 0.6351 2.1537 2.5444 H 0 0 0 0 0 0 0 0 0 0.1142 1.2163 3.9703 H 0 0 0 0 0 0 0 0 0 1.2768 -1.9065 0.2447 H 0 0 0 0 0 0 0 0 0 3.3416 -1.1437 2.1742 H 0 0 0 0 0 0 0 0 0 2.0612 -3.8896 2.0587 H 0 0 0 0 0 0 0 0 0 3.4695 -3.4748 3.0167 H 0 0 0 0 0 0 0 0 0 -1.5779 -2.4615 4.5758 H 0 0 0 0 0 0 0 0 0 -0.1338 -3.2702 2.7920 H 0 0 0 0 0 0 0 0 0 3.2465 -1.7964 4.8588 H 0 0 0 0 0 0 0 0 0 1.8012 -0.9877 6.6427 H 0 0 0 0 0 0 0 0 0 -0.6125 -1.3173 6.5036 H 0 0 0 0 0 0 0 0 0 4.0788 -1.6229 -0.1150 H 0 0 0 0 0 0 0 0 0 4.7550 -2.7662 1.0367 H 0 0 0 0 0 0 0 0 0 3.4143 -3.2509 0.0051 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 1 0 0 0 7 15 1 6 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END > 664298 > K $$$$ 664327 1016 111283D 664327 35 35 1 1 V2000 -1.8597 -1.6289 0.7352 O 0 0 0 0 0 0 0 0 0 -1.2500 -0.3423 0.8049 C 0 0 0 0 0 0 0 0 0 -1.3912 0.2935 -0.5968 C 0 0 0 0 0 0 0 0 0 -2.0116 0.5599 1.8071 C 0 0 0 0 0 0 0 0 0 0.2579 -0.5761 1.0945 C 0 0 1 0 0 0 0 0 0 -3.3753 0.4253 1.6308 F 0 0 0 0 0 0 0 0 0 -1.8165 0.1798 3.1188 F 0 0 0 0 0 0 0 0 0 -1.7400 1.9108 1.7038 F 0 0 0 0 0 0 0 0 0 -0.6573 1.4563 -0.7389 F 0 0 0 0 0 0 0 0 0 -0.9208 -0.5701 -1.5687 F 0 0 0 0 0 0 0 0 0 -2.6961 0.5657 -0.9598 F 0 0 0 0 0 0 0 0 0 0.9998 0.6234 1.6222 C 0 0 0 0 0 0 0 0 0 0.5441 1.2568 2.5425 O 0 0 0 0 0 0 0 0 0 2.3059 1.0560 1.0290 C 0 0 0 0 0 0 0 0 0 0.6055 -1.7544 1.9055 N 0 0 0 0 0 0 0 0 0 0.5539 -3.0578 1.2348 C 0 0 0 0 0 0 0 0 0 1.4133 -4.0867 1.9681 C 0 0 0 0 0 0 0 0 0 1.0020 -4.1636 3.4377 C 0 0 0 0 0 0 0 0 0 1.1670 -2.7857 4.0774 C 0 0 0 0 0 0 0 0 0 0.3093 -1.7576 3.3401 C 0 0 0 0 0 0 0 0 0 -2.0266 -1.9654 1.6119 H 0 0 0 0 0 0 0 0 0 0.7294 -0.7802 0.1443 H 0 0 0 0 0 0 0 0 0 2.8548 1.6298 1.7608 H 0 0 0 0 0 0 0 0 0 2.8902 0.1967 0.7351 H 0 0 0 0 0 0 0 0 0 2.1122 1.6755 0.1653 H 0 0 0 0 0 0 0 0 0 -0.4612 -3.4256 1.1992 H 0 0 0 0 0 0 0 0 0 0.9256 -2.9811 0.2223 H 0 0 0 0 0 0 0 0 0 1.2902 -5.0556 1.5057 H 0 0 0 0 0 0 0 0 0 2.4521 -3.7950 1.9008 H 0 0 0 0 0 0 0 0 0 -0.0297 -4.4790 3.5133 H 0 0 0 0 0 0 0 0 0 1.6263 -4.8803 3.9519 H 0 0 0 0 0 0 0 0 0 0.8669 -2.8297 5.1147 H 0 0 0 0 0 0 0 0 0 2.2051 -2.4887 4.0241 H 0 0 0 0 0 0 0 0 0 0.5089 -0.7887 3.7766 H 0 0 0 0 0 0 0 0 0 -0.7301 -2.0047 3.4999 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 7 1 0 0 0 0 5 15 1 1 0 0 0 5 12 1 0 0 0 0 5 22 1 6 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END > 664327 > K $$$$ 664329 1016 111283D 664329 29 29 0 1 V2000 -0.2143 1.4047 -2.3523 C 0 0 0 0 0 0 0 0 0 0.8998 2.1688 -2.0343 C 0 0 0 0 0 0 0 0 0 2.0511 1.5550 -1.5593 C 0 0 0 0 0 0 0 0 0 2.1057 0.1726 -1.4001 C 0 0 0 0 0 0 0 0 0 0.9810 -0.5829 -1.7172 C 0 0 0 0 0 0 0 0 0 -0.1730 0.0267 -2.1911 C 0 0 0 0 0 0 0 0 0 -1.5673 -0.9373 -2.5832 Cl 0 0 0 0 0 0 0 0 0 3.3441 -0.5303 -0.8944 C 0 0 0 0 0 0 0 0 0 3.2907 -1.7563 -0.6483 N 0 0 0 0 0 0 0 0 0 4.4170 -2.4493 -0.1564 O 0 0 0 0 0 0 0 0 0 4.6523 0.1789 -0.6748 C 0 0 0 0 0 0 0 0 0 5.4892 0.2421 -1.9681 C 0 0 0 0 0 0 0 0 0 4.6479 0.7957 -2.9766 O 0 0 0 0 0 0 0 0 0 6.7352 1.1197 -1.7098 C 0 0 0 0 0 0 0 0 0 7.5002 1.3239 -2.8407 F 0 0 0 0 0 0 0 0 0 6.3497 2.3873 -1.3148 F 0 0 0 0 0 0 0 0 0 7.5494 0.6322 -0.7058 F 0 0 0 0 0 0 0 0 0 5.9608 -1.1604 -2.4218 C 0 0 0 0 0 0 0 0 0 6.6666 -1.8335 -1.4423 F 0 0 0 0 0 0 0 0 0 4.9086 -1.9645 -2.8136 F 0 0 0 0 0 0 0 0 0 6.7646 -1.1155 -3.5440 F 0 0 0 0 0 0 0 0 0 -1.0852 1.8671 -2.7135 H 0 0 0 0 0 0 0 0 0 0.8719 3.2124 -2.1528 H 0 0 0 0 0 0 0 0 0 2.8748 2.1593 -1.3236 H 0 0 0 0 0 0 0 0 0 0.9952 -1.6270 -1.6007 H 0 0 0 0 0 0 0 0 0 4.1948 -3.3731 -0.0993 H 0 0 0 0 0 0 0 0 0 4.4467 1.1723 -0.3083 H 0 0 0 0 0 0 0 0 0 5.2099 -0.3292 0.0990 H 0 0 0 0 0 0 0 0 0 4.5305 1.7341 -2.8625 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > 664329 > K $$$$ 664331 1016 111283D 664331 29 31 0 2 V2000 -0.7551 2.8746 -0.8915 N 0 0 0 0 0 0 0 0 0 0.8095 3.2626 -2.3952 O 0 0 0 0 0 0 0 0 0 1.2123 1.7503 -0.6417 N 0 0 0 0 0 0 0 0 0 4.6521 2.4172 -1.7889 C 0 3 0 0 0 0 0 0 0 3.3841 2.6973 -1.3001 C 0 3 0 0 0 0 0 0 0 2.5192 1.6403 -0.9942 C 0 0 0 0 0 0 0 0 0 3.0137 0.3410 -1.0585 C 0 0 0 0 0 0 0 0 0 4.3058 0.0781 -1.5009 C 0 0 0 0 0 0 0 0 0 5.1379 1.1186 -1.8975 C 0 0 0 0 0 0 0 0 0 0.3998 2.6167 -1.2762 C 0 0 0 0 0 0 0 0 0 -0.4428 3.6322 -2.9512 C 0 0 0 0 0 0 0 0 0 -1.3563 3.8429 -1.7480 C 0 0 0 0 0 0 0 0 0 3.2712 4.0855 -1.2196 C 0 0 0 0 0 0 0 0 0 4.4236 4.6369 -1.7614 C 0 0 0 0 0 0 0 0 0 5.2797 3.6084 -2.1131 C 0 3 0 0 0 0 0 0 0 6.3740 3.7294 -2.6107 O 0 0 0 0 0 0 0 0 0 2.1606 4.9380 -0.6610 C 0 0 0 0 0 0 0 0 0 0.8250 1.1971 0.0630 H 0 0 0 0 0 0 0 0 0 2.3942 -0.4606 -0.7695 H 0 0 0 0 0 0 0 0 0 4.6490 -0.9176 -1.5360 H 0 0 0 0 0 0 0 0 0 6.1057 0.9134 -2.2630 H 0 0 0 0 0 0 0 0 0 -0.3928 4.5124 -3.5751 H 0 0 0 0 0 0 0 0 0 -0.8159 2.8000 -3.5351 H 0 0 0 0 0 0 0 0 0 -2.3949 3.6327 -1.9623 H 0 0 0 0 0 0 0 0 0 -1.2345 4.8374 -1.3394 H 0 0 0 0 0 0 0 0 0 4.6186 5.6664 -1.8825 H 0 0 0 0 0 0 0 0 0 2.5655 5.8723 -0.2940 H 0 0 0 0 0 0 0 0 0 1.4409 5.1784 -1.4303 H 0 0 0 0 0 0 0 0 0 1.6735 4.4322 0.1612 H 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 10 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 10 1 0 0 0 0 3 6 1 0 0 0 0 3 18 1 0 0 0 0 4 15 4 0 0 0 0 4 5 4 0 0 0 0 4 9 4 0 0 0 0 5 6 4 0 0 0 0 5 13 4 0 0 0 0 6 7 4 0 0 0 0 7 8 4 0 0 0 0 7 19 1 0 0 0 0 8 9 4 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 14 4 0 0 0 0 14 15 4 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M CHG 3 4 1 5 1 15 1 M END > 664331 > K $$$$ 664704 1016 111283D 664704 31 34 0 1 V2000 0.0989 1.4746 -0.2677 C 0 0 0 0 0 0 0 0 0 0.0513 0.0864 -0.1107 C 0 0 0 0 0 0 0 0 0 -1.2177 -0.7181 -0.1460 C 0 0 0 0 0 0 0 0 0 -2.3706 -0.4151 -0.8511 C 0 0 0 0 0 0 0 0 0 -2.5453 0.7777 -1.7351 C 0 0 0 0 0 0 0 0 0 -2.1675 2.0490 -1.0441 C 0 0 0 0 0 0 0 0 0 1.3349 2.1097 -0.1989 C 0 0 0 0 0 0 0 0 0 2.5066 1.3971 0.0096 C 0 0 0 0 0 0 0 0 0 2.4536 0.0200 0.1577 C 0 0 0 0 0 0 0 0 0 1.2279 -0.6269 0.0985 C 0 0 0 0 0 0 0 0 0 -2.7069 -2.3266 0.2611 C 0 0 0 0 0 0 0 0 0 -3.2972 -1.4108 -0.5882 C 0 0 0 0 0 0 0 0 0 -3.3868 -3.4503 0.7045 C 0 0 0 0 0 0 0 0 0 -4.6964 -3.6325 0.2727 C 0 0 0 0 0 0 0 0 0 -5.2981 -2.7093 -0.5796 C 0 0 0 0 0 0 0 0 0 -4.6039 -1.5871 -1.0221 C 0 0 0 0 0 0 0 0 0 -1.4254 -1.9068 0.5342 N 0 0 0 0 0 0 0 0 0 -0.9609 2.3173 -0.4795 N 0 0 0 0 0 0 0 0 0 -2.9957 2.9248 -0.9840 O 0 0 0 0 0 0 0 0 0 -7.0914 -2.9894 -1.1435 Br 0 0 0 0 0 0 0 0 0 -1.9280 0.6693 -2.6130 H 0 0 0 0 0 0 0 0 0 -3.5762 0.8616 -2.0438 H 0 0 0 0 0 0 0 0 0 1.3860 3.1526 -0.3085 H 0 0 0 0 0 0 0 0 0 3.4274 1.8997 0.0543 H 0 0 0 0 0 0 0 0 0 3.3355 -0.5286 0.3136 H 0 0 0 0 0 0 0 0 0 1.1987 -1.6708 0.2114 H 0 0 0 0 0 0 0 0 0 -2.9241 -4.1403 1.3467 H 0 0 0 0 0 0 0 0 0 -5.2366 -4.4747 0.5926 H 0 0 0 0 0 0 0 0 0 -5.0611 -0.8958 -1.6662 H 0 0 0 0 0 0 0 0 0 -0.7881 -2.3640 1.1052 H 0 0 0 0 0 0 0 0 0 -0.8583 3.2412 -0.2005 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 18 1 0 0 0 0 6 19 2 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 M END > 664704 > K $$$$ 665614 1016 111283D 665614 84 90 1 2 V2000 3.9447 4.6841 4.9022 C 0 0 0 0 0 0 0 0 0 3.2123 4.1200 3.8747 C 0 0 0 0 0 0 0 0 0 2.9932 4.8320 2.7100 C 0 0 0 0 0 0 0 0 0 3.5061 6.1082 2.5734 C 0 0 0 0 0 0 0 0 0 4.2379 6.6728 3.6016 C 0 0 0 0 0 0 0 0 0 4.4582 5.9605 4.7653 C 0 0 0 0 0 0 0 0 0 5.2567 6.5755 5.8856 C 0 0 0 0 0 0 0 0 0 4.7980 8.0639 3.4522 C 0 0 0 0 0 0 0 0 0 3.6970 9.0510 2.3859 P 0 5 1 0 0 0 0 0 0 6.3475 5.3124 6.6190 P 0 5 1 0 0 0 0 0 0 6.8065 4.0995 5.3506 C 0 0 0 0 0 0 0 0 0 6.4793 2.7671 5.5178 C 0 0 0 0 0 0 0 0 0 6.8292 1.8428 4.5509 C 0 0 0 0 0 0 0 0 0 7.5059 2.2512 3.4171 C 0 0 0 0 0 0 0 0 0 7.8324 3.5842 3.2494 C 0 0 0 0 0 0 0 0 0 7.4789 4.5089 4.2139 C 0 0 0 0 0 0 0 0 0 7.8444 6.1075 7.2652 C 0 0 0 0 0 0 0 0 0 8.6748 6.8124 6.4144 C 0 0 0 0 0 0 0 0 0 9.8156 7.4185 6.9070 C 0 0 0 0 0 0 0 0 0 10.1256 7.3196 8.2503 C 0 0 0 0 0 0 0 0 0 9.2945 6.6152 9.1015 C 0 0 0 0 0 0 0 0 0 8.1518 6.0131 8.6099 C 0 0 0 0 0 0 0 0 0 5.4769 4.4730 7.9711 C 0 0 0 0 0 0 0 0 0 6.1079 3.4694 8.6816 C 0 0 0 0 0 0 0 0 0 5.4443 2.8297 9.7121 C 0 0 0 0 0 0 0 0 0 4.1501 3.1942 10.0321 C 0 0 0 0 0 0 0 0 0 3.5192 4.1988 9.3220 C 0 0 0 0 0 0 0 0 0 4.1841 4.8413 8.2947 C 0 0 0 0 0 0 0 0 0 3.9227 10.8135 2.7506 C 0 0 0 0 0 0 0 0 0 5.1766 11.2976 3.0725 C 0 0 0 0 0 0 0 0 0 5.3486 12.6410 3.3505 C 0 0 0 0 0 0 0 0 0 4.2666 13.4999 3.3063 C 0 0 0 0 0 0 0 0 0 3.0125 13.0158 2.9836 C 0 0 0 0 0 0 0 0 0 2.8414 11.6736 2.7014 C 0 0 0 0 0 0 0 0 0 4.1003 8.7371 0.6453 C 0 0 0 0 0 0 0 0 0 3.3931 9.3781 -0.3543 C 0 0 0 0 0 0 0 0 0 3.7006 9.1389 -1.6809 C 0 0 0 0 0 0 0 0 0 4.7153 8.2592 -2.0073 C 0 0 0 0 0 0 0 0 0 5.4233 7.6187 -1.0073 C 0 0 0 0 0 0 0 0 0 5.1189 7.8611 0.3189 C 0 0 0 0 0 0 0 0 0 1.9726 8.5842 2.7007 C 0 0 0 0 0 0 0 0 0 1.4357 8.7348 3.9654 C 0 0 0 0 0 0 0 0 0 0.1214 8.3791 4.2053 C 0 0 0 0 0 0 0 0 0 -0.6558 7.8733 3.1804 C 0 0 0 0 0 0 0 0 0 -0.1190 7.7235 1.9151 C 0 0 0 0 0 0 0 0 0 1.1936 8.0831 1.6742 C 0 0 0 0 0 0 0 0 0 4.1120 4.1296 5.8137 H 0 0 0 0 0 0 0 0 0 2.8115 3.1228 3.9815 H 0 0 0 0 0 0 0 0 0 2.4216 4.3910 1.9068 H 0 0 0 0 0 0 0 0 0 3.3356 6.6641 1.6634 H 0 0 0 0 0 0 0 0 0 5.8606 7.3942 5.4944 H 0 0 0 0 0 0 0 0 0 4.5782 6.9569 6.6486 H 0 0 0 0 0 0 0 0 0 4.8706 8.5336 4.4331 H 0 0 0 0 0 0 0 0 0 5.7887 8.0101 3.0008 H 0 0 0 0 0 0 0 0 0 5.9505 2.4481 6.4037 H 0 0 0 0 0 0 0 0 0 6.5741 0.8016 4.6820 H 0 0 0 0 0 0 0 0 0 7.7798 1.5290 2.6622 H 0 0 0 0 0 0 0 0 0 8.3615 3.9032 2.3636 H 0 0 0 0 0 0 0 0 0 7.7306 5.5507 4.0811 H 0 0 0 0 0 0 0 0 0 8.4326 6.8896 5.3648 H 0 0 0 0 0 0 0 0 0 10.4648 7.9687 6.2421 H 0 0 0 0 0 0 0 0 0 11.0172 7.7924 8.6349 H 0 0 0 0 0 0 0 0 0 9.5370 6.5377 10.1511 H 0 0 0 0 0 0 0 0 0 7.5005 5.4660 9.2755 H 0 0 0 0 0 0 0 0 0 7.1192 3.1846 8.4315 H 0 0 0 0 0 0 0 0 0 5.9371 2.0450 10.2668 H 0 0 0 0 0 0 0 0 0 3.6314 2.6941 10.8367 H 0 0 0 0 0 0 0 0 0 2.5078 4.4834 9.5719 H 0 0 0 0 0 0 0 0 0 3.6926 5.6286 7.7425 H 0 0 0 0 0 0 0 0 0 6.0221 10.6264 3.1069 H 0 0 0 0 0 0 0 0 0 6.3283 13.0191 3.6026 H 0 0 0 0 0 0 0 0 0 4.4008 14.5491 3.5243 H 0 0 0 0 0 0 0 0 0 2.1669 13.6868 2.9494 H 0 0 0 0 0 0 0 0 0 1.8623 11.2960 2.4456 H 0 0 0 0 0 0 0 0 0 2.6002 10.0656 -0.0992 H 0 0 0 0 0 0 0 0 0 3.1474 9.6392 -2.4620 H 0 0 0 0 0 0 0 0 0 4.9549 8.0718 -3.0436 H 0 0 0 0 0 0 0 0 0 6.2160 6.9310 -1.2625 H 0 0 0 0 0 0 0 0 0 5.6745 7.3636 1.1001 H 0 0 0 0 0 0 0 0 0 2.0430 9.1301 4.7662 H 0 0 0 0 0 0 0 0 0 -0.2978 8.4962 5.1937 H 0 0 0 0 0 0 0 0 0 -1.6822 7.5948 3.3680 H 0 0 0 0 0 0 0 0 0 -0.7262 7.3278 1.1144 H 0 0 0 0 0 0 0 0 0 1.6118 7.9696 0.6850 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 2 3 2 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 49 1 0 0 0 0 4 5 2 0 0 0 0 4 50 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 29 1 0 0 0 0 9 35 1 1 0 0 0 9 41 1 6 0 0 0 10 11 1 0 0 0 0 10 17 1 1 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 55 1 0 0 0 0 13 14 2 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 57 1 0 0 0 0 15 16 2 0 0 0 0 15 58 1 0 0 0 0 16 59 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 60 1 0 0 0 0 19 20 2 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 20 62 1 0 0 0 0 21 22 2 0 0 0 0 21 63 1 0 0 0 0 22 64 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 65 1 0 0 0 0 25 26 2 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 67 1 0 0 0 0 27 28 2 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 70 1 0 0 0 0 31 32 2 0 0 0 0 31 71 1 0 0 0 0 32 33 1 0 0 0 0 32 72 1 0 0 0 0 33 34 2 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 35 36 2 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 75 1 0 0 0 0 37 38 2 0 0 0 0 37 76 1 0 0 0 0 38 39 1 0 0 0 0 38 77 1 0 0 0 0 39 40 2 0 0 0 0 39 78 1 0 0 0 0 40 79 1 0 0 0 0 41 42 2 0 0 0 0 41 46 1 0 0 0 0 42 43 1 0 0 0 0 42 80 1 0 0 0 0 43 44 2 0 0 0 0 43 81 1 0 0 0 0 44 45 1 0 0 0 0 44 82 1 0 0 0 0 45 46 2 0 0 0 0 45 83 1 0 0 0 0 46 84 1 0 0 0 0 M CHG 2 9 -1 10 -1 M END > 665614 > K $$$$ 666526 1016 111283D 666526 29 29 1 1 V2000 2.9089 -3.3193 3.6039 C 0 0 0 0 0 0 0 0 0 1.9568 -3.2749 2.4101 C 0 0 0 0 0 0 0 0 0 2.6541 -3.7187 1.1229 C 0 0 0 0 0 0 0 0 0 1.6966 -3.6769 -0.0697 C 0 0 0 0 0 0 0 0 0 2.4033 -4.1221 -1.3509 C 0 0 0 0 0 0 0 0 0 1.4571 -4.0792 -2.5522 C 0 0 0 0 0 0 0 0 0 2.1715 -4.5082 -3.8379 C 0 0 1 0 0 0 0 0 0 2.5109 -6.0113 -3.9128 C 0 0 0 0 0 0 0 0 0 1.7439 -5.9271 -5.1757 C 0 0 0 0 0 0 0 0 0 1.5400 -6.7790 -6.0076 O 0 0 0 0 0 0 0 0 0 1.3062 -4.5106 -5.1185 C 0 0 0 0 0 0 0 0 0 -0.4752 -4.3519 -4.8896 Cl 0 0 0 0 0 0 0 0 0 1.9705 -3.4918 -6.4477 Cl 0 0 0 0 0 0 0 0 0 3.2768 -4.3253 3.7471 H 0 0 0 0 0 0 0 0 0 3.7440 -2.6540 3.4370 H 0 0 0 0 0 0 0 0 0 2.3828 -3.0071 4.4946 H 0 0 0 0 0 0 0 0 0 1.1193 -3.9290 2.6081 H 0 0 0 0 0 0 0 0 0 1.5916 -2.2643 2.2921 H 0 0 0 0 0 0 0 0 0 3.4913 -3.0627 0.9288 H 0 0 0 0 0 0 0 0 0 3.0213 -4.7277 1.2489 H 0 0 0 0 0 0 0 0 0 0.8571 -4.3308 0.1208 H 0 0 0 0 0 0 0 0 0 1.3322 -2.6668 -0.1952 H 0 0 0 0 0 0 0 0 0 3.2397 -3.4630 -1.5361 H 0 0 0 0 0 0 0 0 0 2.7740 -5.1289 -1.2196 H 0 0 0 0 0 0 0 0 0 0.6102 -4.7250 -2.3663 H 0 0 0 0 0 0 0 0 0 1.1009 -3.0668 -2.6794 H 0 0 0 0 0 0 0 0 0 3.0599 -3.9120 -3.9983 H 0 0 0 0 0 0 0 0 0 3.5582 -6.2293 -4.0615 H 0 0 0 0 0 0 0 0 0 2.0142 -6.6333 -3.1823 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 11 1 6 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 M END > 666526 > K $$$$ 667235 1016 111283D 667235 30 31 0 1 V2000 1.8766 6.5991 -0.7513 C 0 0 0 0 0 0 0 0 0 2.7723 7.6060 -1.0854 C 0 0 0 0 0 0 0 0 0 2.7575 8.8115 -0.3945 C 0 0 0 0 0 0 0 0 0 1.8405 8.9998 0.6296 C 0 0 0 0 0 0 0 0 0 0.9416 7.9988 0.9715 C 0 0 0 0 0 0 0 0 0 0.9591 6.7903 0.2772 C 0 0 0 0 0 0 0 0 0 -0.0264 5.7190 0.6669 C 0 0 0 0 0 0 0 0 0 -0.8922 5.9867 1.6524 C 0 0 0 0 0 0 0 0 0 -0.8312 7.3175 2.3369 C 0 0 0 0 0 0 0 0 0 0.0778 8.2718 1.9922 O 0 0 0 0 0 0 0 0 0 -0.0546 4.3805 -0.0200 C 0 0 0 0 0 0 0 0 0 -0.6003 4.5565 -1.4012 C 0 0 0 0 0 0 0 0 0 0.0296 4.1432 -2.3456 O 0 0 0 0 0 0 0 0 0 -1.7971 5.1806 -1.5626 O 0 0 0 0 0 0 0 0 0 -2.1049 5.4279 -2.9188 C 0 0 0 0 0 0 0 0 0 -3.3841 6.2542 -2.9648 C 0 0 0 0 0 0 0 0 0 -1.6154 7.5487 3.2249 O 0 0 0 0 0 0 0 0 0 3.6166 9.8213 -0.6891 O 0 0 0 0 0 0 0 0 0 1.9038 5.6957 -1.2860 H 0 0 0 0 0 0 0 0 0 3.4624 7.4553 -1.8624 H 0 0 0 0 0 0 0 0 0 1.8262 9.9098 1.1521 H 0 0 0 0 0 0 0 0 0 -1.6102 5.2829 1.9537 H 0 0 0 0 0 0 0 0 0 0.9429 3.9714 -0.0770 H 0 0 0 0 0 0 0 0 0 -0.6858 3.6835 0.5108 H 0 0 0 0 0 0 0 0 0 -1.3127 5.9899 -3.3957 H 0 0 0 0 0 0 0 0 0 -2.2539 4.4974 -3.4499 H 0 0 0 0 0 0 0 0 0 -4.1862 5.7029 -2.4968 H 0 0 0 0 0 0 0 0 0 -3.2321 7.1822 -2.4328 H 0 0 0 0 0 0 0 0 0 -3.6438 6.4687 -3.9911 H 0 0 0 0 0 0 0 0 0 4.1894 9.5790 -1.4086 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 18 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 18 30 1 0 0 0 0 M END > 667235 > K $$$$ 667251 1016 111283D 667251 35 36 0 1 V2000 1.0287 3.1875 0.9840 C 0 0 0 0 0 0 0 0 0 1.5764 3.1193 -0.2939 C 0 0 0 0 0 0 0 0 0 2.8955 2.7266 -0.4736 C 0 0 0 0 0 0 0 0 0 3.6787 2.4035 0.6258 C 0 0 0 0 0 0 0 0 0 3.1416 2.4761 1.9036 C 0 0 0 0 0 0 0 0 0 1.8222 2.8688 2.0810 C 0 0 0 0 0 0 0 0 0 -0.4047 3.6060 1.1930 C 0 0 0 0 0 0 0 0 0 -0.8061 4.1443 2.5368 C 0 0 0 0 0 0 0 0 0 -1.1209 4.5618 3.5766 N 0 0 0 0 0 0 0 0 0 -1.3105 3.4969 0.2096 C 0 0 0 0 0 0 0 0 0 -2.6687 4.1342 0.2912 C 0 0 0 0 0 0 0 0 0 -3.7827 3.4325 -0.1438 C 0 0 0 0 0 0 0 0 0 -5.0378 4.0114 -0.0335 C 0 0 0 0 0 0 0 0 0 -5.1725 5.2877 0.4987 C 0 0 0 0 0 0 0 0 0 -4.0658 6.0284 0.9133 C 0 0 0 0 0 0 0 0 0 -2.8185 5.4210 0.7962 C 0 0 0 0 0 0 0 0 0 -4.1666 7.3088 1.4218 N 0 0 0 0 0 0 0 0 0 -5.3972 8.0642 1.4521 C 0 0 0 0 0 0 0 0 0 -3.0165 7.9930 1.9713 C 0 0 0 0 0 0 0 0 0 0.9997 3.3661 -1.1361 H 0 0 0 0 0 0 0 0 0 3.3008 2.6745 -1.4411 H 0 0 0 0 0 0 0 0 0 4.6760 2.1049 0.4908 H 0 0 0 0 0 0 0 0 0 3.7324 2.2340 2.7373 H 0 0 0 0 0 0 0 0 0 1.4277 2.9202 3.0533 H 0 0 0 0 0 0 0 0 0 -1.0719 2.9456 -0.6516 H 0 0 0 0 0 0 0 0 0 -3.6791 2.4695 -0.5494 H 0 0 0 0 0 0 0 0 0 -5.8858 3.4801 -0.3528 H 0 0 0 0 0 0 0 0 0 -6.1395 5.6769 0.5789 H 0 0 0 0 0 0 0 0 0 -1.9595 5.9440 1.0926 H 0 0 0 0 0 0 0 0 0 -6.2142 7.6084 0.9205 H 0 0 0 0 0 0 0 0 0 -5.6961 8.2108 2.4801 H 0 0 0 0 0 0 0 0 0 -5.2314 9.0333 1.0030 H 0 0 0 0 0 0 0 0 0 -2.6047 7.4220 2.7917 H 0 0 0 0 0 0 0 0 0 -2.2609 8.1246 1.2097 H 0 0 0 0 0 0 0 0 0 -3.2772 8.9729 2.3469 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 3 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 667251 > K $$$$ 667467 1016 111283D 667467 33 36 1 1 V2000 4.6532 -6.4703 -4.7999 C 0 0 0 0 0 0 0 0 0 3.6561 -6.2331 -3.9029 C 0 0 0 0 0 0 0 0 0 2.8209 -5.1198 -4.0681 C 0 0 0 0 0 0 0 0 0 3.0229 -4.2529 -5.1766 C 0 0 0 0 0 0 0 0 0 4.0633 -4.5299 -6.0777 C 0 0 0 0 0 0 0 0 0 4.8562 -5.6194 -5.8839 C 0 0 0 0 0 0 0 0 0 1.7873 -4.8125 -3.1827 C 0 0 0 0 0 0 0 0 0 0.9660 -3.7031 -3.4019 C 0 0 0 0 0 0 0 0 0 1.2393 -2.9101 -4.5197 C 0 0 0 0 0 0 0 0 0 2.2225 -3.1946 -5.3419 N 0 0 0 0 0 0 0 0 0 1.4313 -5.7575 -1.7250 S 0 0 0 0 0 0 0 0 0 0.3397 -4.8714 -0.5481 C 0 0 1 0 0 0 0 0 0 -0.4811 -3.9257 -1.4015 C 0 0 0 0 0 0 0 0 0 -2.0349 -3.4913 -0.8287 S 0 0 0 0 0 0 0 0 0 -0.0898 -3.4106 -2.5542 N 0 0 0 0 0 0 0 0 0 -1.4096 -6.7784 2.2009 C 0 0 0 0 0 0 0 0 0 -2.2131 -7.6361 1.4736 C 0 0 0 0 0 0 0 0 0 -2.1907 -7.5992 0.0917 C 0 0 0 0 0 0 0 0 0 -1.3650 -6.7044 -0.5624 C 0 0 0 0 0 0 0 0 0 -0.5609 -5.8468 0.1651 C 0 0 0 0 0 0 0 0 0 -0.5833 -5.8836 1.5465 C 0 0 0 0 0 0 0 0 0 5.2976 -7.3267 -4.6665 H 0 0 0 0 0 0 0 0 0 3.5092 -6.9011 -3.0671 H 0 0 0 0 0 0 0 0 0 4.2339 -3.8802 -6.9234 H 0 0 0 0 0 0 0 0 0 5.6547 -5.8269 -6.5809 H 0 0 0 0 0 0 0 0 0 0.6261 -2.0422 -4.7125 H 0 0 0 0 0 0 0 0 0 0.9361 -4.3101 0.1713 H 0 0 0 0 0 0 0 0 0 -0.6520 -2.6850 -2.8678 H 0 0 0 0 0 0 0 0 0 -1.4304 -6.8042 3.2804 H 0 0 0 0 0 0 0 0 0 -2.8582 -8.3353 1.9847 H 0 0 0 0 0 0 0 0 0 -2.8180 -8.2699 -0.4766 H 0 0 0 0 0 0 0 0 0 -1.3470 -6.6761 -1.6419 H 0 0 0 0 0 0 0 0 0 0.0446 -5.2135 2.1149 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 10 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 11 1 0 0 0 0 7 8 2 0 0 0 0 8 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 1 0 0 0 12 27 1 6 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 M END > 667467 > K $$$$ 668260 1016 111283D 668260 46 49 1 1 V2000 2.6375 -1.3735 -0.8325 O 0 0 0 0 0 0 0 0 0 2.1481 -1.8523 0.3284 C 0 0 0 0 0 0 0 0 0 0.9634 -1.0693 0.7422 C 0 0 0 0 0 0 0 0 0 0.4754 -0.4509 -0.5691 C 0 0 0 0 0 0 0 0 0 1.8343 -0.2410 -1.2893 C 0 0 1 0 0 0 0 0 0 2.4734 1.0813 -0.8602 C 0 0 0 0 0 0 0 0 0 3.7381 1.2672 -1.5757 N 0 0 0 0 0 0 0 0 0 3.7637 1.9974 -2.7054 C 0 0 0 0 0 0 0 0 0 2.7351 2.4957 -3.1202 O 0 0 0 0 0 0 0 0 0 6.0610 1.6386 -2.9366 C 0 0 0 0 0 0 0 0 0 7.1000 1.8077 -3.5489 O 0 0 0 0 0 0 0 0 0 6.0500 0.8726 -1.7452 C 0 0 0 0 0 0 0 0 0 4.8842 0.7010 -1.0854 C 0 0 0 0 0 0 0 0 0 1.6554 -0.2855 -2.7849 C 0 0 0 0 0 0 0 0 0 0.5666 0.3377 -3.3674 C 0 0 0 0 0 0 0 0 0 0.3978 0.3001 -4.7368 C 0 0 0 0 0 0 0 0 0 1.3265 -0.3672 -5.5326 C 0 0 0 0 0 0 0 0 0 2.4216 -0.9934 -4.9404 C 0 0 0 0 0 0 0 0 0 2.5836 -0.9447 -3.5707 C 0 0 0 0 0 0 0 0 0 2.6124 -2.7910 0.9452 O 0 0 0 0 0 0 0 0 0 7.6461 0.1005 -1.0875 Br 0 0 0 0 0 0 0 0 0 1.1500 -0.4114 -7.0053 C 0 0 0 0 0 0 0 0 0 1.5967 -1.5141 -7.7301 C 0 0 0 0 0 0 0 0 0 1.4300 -1.5500 -9.1000 C 0 0 0 0 0 0 0 0 0 0.8211 -0.4937 -9.7528 C 0 0 0 0 0 0 0 0 0 0.3761 0.6039 -9.0381 C 0 0 0 0 0 0 0 0 0 0.5317 0.6473 -7.6676 C 0 0 0 0 0 0 0 0 0 0.4466 -0.9352 1.9614 C 0 0 0 0 0 0 0 0 0 4.9116 2.1843 -3.3828 N 0 0 0 0 0 0 0 0 0 -0.1621 -1.1425 -1.1200 H 0 0 0 0 0 0 0 0 0 -0.0314 0.4983 -0.3950 H 0 0 0 0 0 0 0 0 0 1.7985 1.9043 -1.0956 H 0 0 0 0 0 0 0 0 0 2.6625 1.0621 0.2131 H 0 0 0 0 0 0 0 0 0 4.8563 0.1202 -0.1753 H 0 0 0 0 0 0 0 0 0 -0.1529 0.8545 -2.7495 H 0 0 0 0 0 0 0 0 0 -0.4529 0.7868 -5.1906 H 0 0 0 0 0 0 0 0 0 3.1443 -1.5124 -5.5525 H 0 0 0 0 0 0 0 0 0 3.4343 -1.4259 -3.1112 H 0 0 0 0 0 0 0 0 0 2.0728 -2.3392 -7.2213 H 0 0 0 0 0 0 0 0 0 1.7758 -2.4044 -9.6629 H 0 0 0 0 0 0 0 0 0 0.6930 -0.5257 -10.8248 H 0 0 0 0 0 0 0 0 0 -0.0981 1.4264 -9.5531 H 0 0 0 0 0 0 0 0 0 0.1795 1.5027 -7.1099 H 0 0 0 0 0 0 0 0 0 0.9051 -1.4372 2.8004 H 0 0 0 0 0 0 0 0 0 -0.4313 -0.3242 2.1115 H 0 0 0 0 0 0 0 0 0 4.9119 2.7136 -4.1957 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 20 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 28 2 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 6 0 0 0 5 14 1 1 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 10 12 1 0 0 0 0 12 21 1 0 0 0 0 12 13 2 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 22 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END > 668260 > K $$$$ 668270 1016 111283D 668270 42 45 1 1 V2000 -3.0249 -0.1160 0.1274 C 0 0 0 0 0 0 0 0 0 -1.9917 -1.0246 0.0675 C 0 0 0 0 0 0 0 0 0 -1.2729 -1.3294 1.2253 C 0 0 0 0 0 0 0 0 0 -1.6044 -0.7110 2.4413 C 0 0 0 0 0 0 0 0 0 -2.6497 0.2028 2.4797 C 0 0 0 0 0 0 0 0 0 -3.3518 0.4946 1.3294 C 0 0 0 0 0 0 0 0 0 -0.1637 -2.2955 1.1978 C 0 0 0 0 0 0 0 0 0 0.4975 -2.5477 2.3680 C 0 0 0 0 0 0 0 0 0 0.1066 -1.8890 3.5438 C 0 0 0 0 0 0 0 0 0 -0.9073 -1.0090 3.5590 O 0 0 0 0 0 0 0 0 0 0.7039 -2.1224 4.5800 O 0 0 0 0 0 0 0 0 0 0.1910 -2.9161 0.0496 O 0 0 0 0 0 0 0 0 0 0.2440 -4.3661 -0.0054 C 0 0 0 0 0 0 0 0 0 -1.1788 -4.9287 -0.0111 C 0 0 1 0 0 0 0 0 0 -1.8923 -4.4862 -1.2040 O 0 0 0 0 0 0 0 0 0 -2.1948 -5.5518 -1.9805 C 0 0 0 0 0 0 0 0 0 -2.2862 -6.7349 -1.0868 C 0 0 0 0 0 0 0 0 0 -1.1442 -6.4731 -0.1028 C 0 0 0 0 0 0 0 0 0 -3.1390 -7.7558 -1.1303 C 0 0 0 0 0 0 0 0 0 -2.3609 -5.5429 -3.1845 O 0 0 0 0 0 0 0 0 0 -1.9160 -4.4939 1.2294 C 0 0 0 0 0 0 0 0 0 -3.0799 -3.7569 1.1189 C 0 0 0 0 0 0 0 0 0 -3.7562 -3.3580 2.2569 C 0 0 0 0 0 0 0 0 0 -3.2685 -3.6967 3.5050 C 0 0 0 0 0 0 0 0 0 -2.1047 -4.4348 3.6155 C 0 0 0 0 0 0 0 0 0 -1.4310 -4.8373 2.4777 C 0 0 0 0 0 0 0 0 0 -3.5803 0.1259 -0.7667 H 0 0 0 0 0 0 0 0 0 -1.7393 -1.4990 -0.8693 H 0 0 0 0 0 0 0 0 0 -2.9128 0.6840 3.4101 H 0 0 0 0 0 0 0 0 0 -4.1637 1.2059 1.3644 H 0 0 0 0 0 0 0 0 0 1.3168 -3.2510 2.3873 H 0 0 0 0 0 0 0 0 0 0.7611 -4.6766 -0.9135 H 0 0 0 0 0 0 0 0 0 0.7804 -4.7434 0.8652 H 0 0 0 0 0 0 0 0 0 -0.1925 -6.8210 -0.5045 H 0 0 0 0 0 0 0 0 0 -1.3490 -6.9284 0.8662 H 0 0 0 0 0 0 0 0 0 -3.8976 -7.7933 -1.8982 H 0 0 0 0 0 0 0 0 0 -3.0725 -8.5466 -0.3979 H 0 0 0 0 0 0 0 0 0 -3.4609 -3.4922 0.1436 H 0 0 0 0 0 0 0 0 0 -4.6653 -2.7814 2.1706 H 0 0 0 0 0 0 0 0 0 -3.7964 -3.3846 4.3940 H 0 0 0 0 0 0 0 0 0 -1.7235 -4.6993 4.5908 H 0 0 0 0 0 0 0 0 0 -0.5239 -5.4170 2.5640 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 10 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 12 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 6 0 0 0 14 21 1 1 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > 668270 > K $$$$ 669356 1016 111283D 669356 102104 1 1 V2000 0.9416 5.2701 -4.3585 N 0 0 0 0 0 0 0 0 0 1.3596 4.6610 -5.6295 C 0 0 1 0 0 0 0 0 0 2.8153 4.2778 -5.5601 C 0 0 0 0 0 0 0 0 0 3.4634 4.1703 -6.5797 O 0 0 0 0 0 0 0 0 0 -0.1182 4.4376 -3.7610 C 0 0 0 0 0 0 0 0 0 -0.7498 3.6816 -4.9564 C 0 0 0 0 0 0 0 0 0 0.4945 3.4004 -5.8397 C 0 0 0 0 0 0 0 0 0 1.4788 8.2451 -2.2333 N 0 0 0 0 0 0 0 0 0 0.9226 6.9124 -2.5087 C 0 0 1 0 0 0 0 0 0 1.4477 6.3998 -3.8249 C 0 0 0 0 0 0 0 0 0 2.3257 7.0036 -4.4042 O 0 0 0 0 0 0 0 0 0 2.2725 8.1792 -0.9928 C 0 0 0 0 0 0 0 0 0 1.6910 6.9733 -0.2136 C 0 0 0 0 0 0 0 0 0 1.3760 5.9814 -1.3643 C 0 0 0 0 0 0 0 0 0 1.4608 11.0489 -1.2732 N 0 0 0 0 0 0 0 0 0 1.9425 10.6475 -2.5973 C 0 0 1 0 0 0 0 0 0 1.2977 9.3440 -2.9926 C 0 0 0 0 0 0 0 0 0 0.6159 9.2837 -3.9937 O 0 0 0 0 0 0 0 0 0 1.5808 11.7262 -3.6202 C 0 0 0 0 0 0 0 0 0 0.0613 11.9007 -3.6617 C 0 0 0 0 0 0 0 0 0 2.2354 13.0496 -3.2191 C 0 0 0 0 0 0 0 0 0 3.7750 10.8044 -0.4344 C 0 0 1 0 0 0 0 0 0 2.3331 11.2053 -0.2578 C 0 0 0 0 0 0 0 0 0 1.9575 11.6689 0.7982 O 0 0 0 0 0 0 0 0 0 4.6730 12.0255 -0.2267 C 0 0 0 0 0 0 0 0 0 4.4662 12.5763 1.1858 C 0 0 0 0 0 0 0 0 0 6.1369 11.6186 -0.4058 C 0 0 0 0 0 0 0 0 0 4.7550 8.3006 -1.3365 C 0 0 1 0 0 0 0 0 0 4.5411 8.5619 0.1326 C 0 0 0 0 0 0 0 0 0 4.7502 7.6834 0.9419 O 0 0 0 0 0 0 0 0 0 5.8086 9.2656 -1.8791 C 0 0 0 0 0 0 0 0 0 6.9888 8.4690 -2.4388 C 0 0 0 0 0 0 0 0 0 5.1956 10.1186 -2.9916 C 0 0 0 0 0 0 0 0 0 3.3972 4.0543 -4.3652 N 0 0 0 0 0 0 0 0 0 4.8123 3.6816 -4.2978 C 0 0 0 0 0 0 0 0 0 5.6494 4.7743 -4.9115 C 0 0 0 0 0 0 0 0 0 5.0418 5.9051 -5.4238 C 0 0 0 0 0 0 0 0 0 5.8098 6.9074 -5.9870 C 0 0 0 0 0 0 0 0 0 7.1851 6.7788 -6.0373 C 0 0 0 0 0 0 0 0 0 7.7928 5.6479 -5.5241 C 0 0 0 0 0 0 0 0 0 7.0255 4.6479 -4.9572 C 0 0 0 0 0 0 0 0 0 4.1187 9.7727 0.5473 N 0 0 0 0 0 0 0 0 0 5.2106 6.9172 -1.5262 N 0 0 0 0 0 0 0 0 0 5.2863 6.3102 -0.1907 C 0 0 0 0 0 0 0 0 0 4.1420 6.2146 -2.2491 C 0 0 0 0 0 0 0 0 0 0.0311 11.2801 -1.0531 C 0 0 0 0 0 0 0 0 0 1.2000 5.3635 -6.4475 H 0 0 0 0 0 0 0 0 0 0.3100 3.7317 -3.0493 H 0 0 0 0 0 0 0 0 0 -0.8635 5.0652 -3.2724 H 0 0 0 0 0 0 0 0 0 -1.2148 2.7517 -4.6290 H 0 0 0 0 0 0 0 0 0 -1.4675 4.3116 -5.4818 H 0 0 0 0 0 0 0 0 0 0.2091 3.2987 -6.8867 H 0 0 0 0 0 0 0 0 0 1.0197 2.5101 -5.4938 H 0 0 0 0 0 0 0 0 0 -0.1658 6.9637 -2.5386 H 0 0 0 0 0 0 0 0 0 3.3172 8.0049 -1.2170 H 0 0 0 0 0 0 0 0 0 2.1529 9.0966 -0.4166 H 0 0 0 0 0 0 0 0 0 2.4306 6.5564 0.4700 H 0 0 0 0 0 0 0 0 0 0.7829 7.2541 0.3198 H 0 0 0 0 0 0 0 0 0 0.5729 5.3019 -1.0789 H 0 0 0 0 0 0 0 0 0 2.2686 5.4253 -1.6500 H 0 0 0 0 0 0 0 0 0 3.0236 10.5232 -2.5680 H 0 0 0 0 0 0 0 0 0 1.9392 11.4275 -4.6054 H 0 0 0 0 0 0 0 0 0 -0.2856 12.2919 -2.7211 H 0 0 0 0 0 0 0 0 0 -0.2025 12.6009 -4.4543 H 0 0 0 0 0 0 0 0 0 -0.4099 10.9374 -3.8563 H 0 0 0 0 0 0 0 0 0 1.8770 13.3483 -2.2340 H 0 0 0 0 0 0 0 0 0 3.3179 12.9252 -3.1896 H 0 0 0 0 0 0 0 0 0 1.9777 13.8182 -3.9478 H 0 0 0 0 0 0 0 0 0 3.9220 10.4117 -1.4390 H 0 0 0 0 0 0 0 0 0 4.4173 12.7931 -0.9570 H 0 0 0 0 0 0 0 0 0 3.4232 12.8664 1.3134 H 0 0 0 0 0 0 0 0 0 4.7219 11.8088 1.9161 H 0 0 0 0 0 0 0 0 0 5.1059 13.4464 1.3337 H 0 0 0 0 0 0 0 0 0 6.3049 11.3115 -1.4382 H 0 0 0 0 0 0 0 0 0 6.7811 12.4653 -0.1695 H 0 0 0 0 0 0 0 0 0 6.3677 10.7888 0.2623 H 0 0 0 0 0 0 0 0 0 3.8204 8.4539 -1.8779 H 0 0 0 0 0 0 0 0 0 6.1564 9.9132 -1.0744 H 0 0 0 0 0 0 0 0 0 6.6304 7.7733 -3.1976 H 0 0 0 0 0 0 0 0 0 7.7102 9.1535 -2.8852 H 0 0 0 0 0 0 0 0 0 7.4667 7.9126 -1.6325 H 0 0 0 0 0 0 0 0 0 4.9483 9.4833 -3.8420 H 0 0 0 0 0 0 0 0 0 4.2918 10.6009 -2.6242 H 0 0 0 0 0 0 0 0 0 5.9114 10.8796 -3.3023 H 0 0 0 0 0 0 0 0 0 2.8789 4.1402 -3.5498 H 0 0 0 0 0 0 0 0 0 5.1024 3.5434 -3.2563 H 0 0 0 0 0 0 0 0 0 4.9699 2.7523 -4.8452 H 0 0 0 0 0 0 0 0 0 3.9673 6.0057 -5.3844 H 0 0 0 0 0 0 0 0 0 5.3350 7.7907 -6.3878 H 0 0 0 0 0 0 0 0 0 7.7848 7.5615 -6.4779 H 0 0 0 0 0 0 0 0 0 8.8674 5.5472 -5.5638 H 0 0 0 0 0 0 0 0 0 7.5005 3.7663 -4.5530 H 0 0 0 0 0 0 0 0 0 4.0424 9.9611 1.4957 H 0 0 0 0 0 0 0 0 0 6.0516 6.8181 0.3964 H 0 0 0 0 0 0 0 0 0 4.3217 6.4075 0.3079 H 0 0 0 0 0 0 0 0 0 5.5415 5.2549 -0.2849 H 0 0 0 0 0 0 0 0 0 4.3883 5.1553 -2.3220 H 0 0 0 0 0 0 0 0 0 3.2019 6.3334 -1.7117 H 0 0 0 0 0 0 0 0 0 4.0438 6.6345 -3.2502 H 0 0 0 0 0 0 0 0 0 -0.1347 11.5689 -0.0152 H 0 0 0 0 0 0 0 0 0 -0.3142 12.0738 -1.6945 H 0 0 0 0 0 0 0 0 0 -0.5223 10.3661 -1.2686 H 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 6 0 0 0 2 7 1 0 0 0 0 2 47 1 1 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 5 6 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 50 1 0 0 0 0 6 51 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 6 0 0 0 9 54 1 1 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 23 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 6 0 0 0 16 19 1 1 0 0 0 16 61 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 42 1 0 0 0 0 22 23 1 1 0 0 0 22 25 1 0 0 0 0 22 69 1 6 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 28 43 1 0 0 0 0 28 29 1 1 0 0 0 28 31 1 6 0 0 0 28 77 1 0 0 0 0 29 30 2 0 0 0 0 29 42 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 35 1 0 0 0 0 34 85 1 0 0 0 0 35 36 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 37 2 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 88 1 0 0 0 0 38 39 2 0 0 0 0 38 89 1 0 0 0 0 39 40 1 0 0 0 0 39 90 1 0 0 0 0 40 41 2 0 0 0 0 40 91 1 0 0 0 0 41 92 1 0 0 0 0 42 93 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 M END > 669356 > K $$$$ 670036 1016 111283D 670036 31 33 1 1 V2000 1.0018 0.5938 -1.1964 O 0 0 0 0 0 0 0 0 0 0.4158 -0.5152 -1.8563 C 0 0 1 0 0 0 0 0 0 1.3253 -1.7245 -1.6232 C 0 0 1 0 0 0 0 0 0 2.6668 -1.0034 -1.5776 C 0 0 1 0 0 0 0 0 0 2.2538 0.1634 -0.6908 C 0 0 1 0 0 0 0 0 0 -1.0086 -0.7591 -1.3695 C 0 0 0 0 0 0 0 0 0 1.0659 -2.3670 -0.3900 O 0 0 0 0 0 0 0 0 0 3.7526 -1.7314 -1.0409 O 0 0 0 0 0 0 0 0 0 -1.5403 -1.8899 -2.0287 O 0 0 0 0 0 0 0 0 0 3.3127 1.2243 -0.7232 C 0 0 0 0 0 0 0 0 0 3.5776 2.2896 -2.0394 S 0 0 0 0 0 0 0 0 0 4.8725 3.0601 -1.2287 C 0 0 0 0 0 0 0 0 0 5.0779 2.4929 0.0163 C 0 0 0 0 0 0 0 0 0 4.2040 1.4652 0.3083 C 0 0 0 0 0 0 0 0 0 4.2716 0.8083 1.5004 N 0 0 0 0 0 0 0 0 0 5.1197 1.0935 2.3834 C 0 0 0 0 0 0 0 0 0 6.0414 2.0919 2.2109 N 0 0 0 0 0 0 0 0 0 6.0888 2.8284 1.0640 C 0 0 0 0 0 0 0 0 0 7.1441 3.9601 0.8595 S 0 0 0 0 0 0 0 0 0 0.3823 -0.3043 -2.9162 H 0 0 0 0 0 0 0 0 0 1.2837 -2.4303 -2.4412 H 0 0 0 0 0 0 0 0 0 2.9159 -0.6307 -2.5625 H 0 0 0 0 0 0 0 0 0 2.1277 -0.1916 0.3242 H 0 0 0 0 0 0 0 0 0 -0.9902 -0.9166 -0.2999 H 0 0 0 0 0 0 0 0 0 -1.6003 0.1199 -1.5831 H 0 0 0 0 0 0 0 0 0 0.2815 -2.9004 -0.4781 H 0 0 0 0 0 0 0 0 0 3.8707 -2.5311 -1.5412 H 0 0 0 0 0 0 0 0 0 -2.4348 -2.0265 -1.7293 H 0 0 0 0 0 0 0 0 0 5.4337 3.8550 -1.6235 H 0 0 0 0 0 0 0 0 0 5.1147 0.5433 3.2801 H 0 0 0 0 0 0 0 0 0 6.6749 2.2785 2.9218 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 1 0 0 0 2 20 1 6 0 0 0 3 7 1 1 0 0 0 3 4 1 6 0 0 0 3 21 1 0 0 0 0 4 8 1 1 0 0 0 4 5 1 0 0 0 0 4 22 1 6 0 0 0 5 10 1 6 0 0 0 5 23 1 1 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 M END > 670036 > K $$$$ 670140 1016 111283D 670140 42 45 1 1 V2000 0.1742 1.4126 0.3236 C 0 0 0 0 0 0 0 0 0 0.1237 0.0433 0.2179 C 0 0 0 0 0 0 0 0 0 1.3023 -0.7166 0.1054 C 0 0 0 0 0 0 0 0 0 2.5240 -0.0631 0.0772 C 0 0 0 0 0 0 0 0 0 2.5587 1.3226 0.1962 C 0 0 0 0 0 0 0 0 0 1.3989 2.0570 0.3189 C 0 0 0 0 0 0 0 0 0 1.1322 -2.1785 0.0581 C 0 0 0 0 0 0 0 0 0 1.9915 -3.1072 -0.6884 C 0 0 0 0 0 0 0 0 0 3.3624 -3.1268 -0.4181 C 0 0 0 0 0 0 0 0 0 1.4735 -3.9700 -1.6522 C 0 0 0 0 0 0 0 0 0 2.3150 -4.8459 -2.3083 C 0 0 0 0 0 0 0 0 0 3.6665 -4.8742 -2.0129 C 0 0 0 0 0 0 0 0 0 4.1909 -4.0109 -1.0640 C 0 0 0 0 0 0 0 0 0 0.1411 -2.6888 0.7322 N 0 0 0 0 0 0 0 0 0 0.0033 -3.8975 0.7913 O 0 0 0 0 0 0 0 0 0 3.8904 -2.1154 0.5708 C 0 0 1 0 0 0 0 0 0 3.8476 -0.7488 -0.1057 C 0 0 1 0 0 0 0 0 0 -1.0231 -4.4250 1.4851 C 0 0 0 0 0 0 0 0 0 -1.8226 -3.6949 2.0363 O 0 0 0 0 0 0 0 0 0 -2.2388 -6.4417 2.2972 C 0 0 0 0 0 0 0 0 0 -2.3763 -7.8116 2.3785 C 0 0 0 0 0 0 0 0 0 -1.4651 -8.6403 1.7475 C 0 0 0 0 0 0 0 0 0 -0.4109 -8.1018 1.0316 C 0 0 0 0 0 0 0 0 0 -0.2614 -6.7332 0.9421 C 0 0 0 0 0 0 0 0 0 -1.1770 -5.8913 1.5761 C 0 0 0 0 0 0 0 0 0 4.1861 -0.9781 -2.0287 Br 0 0 0 0 0 0 0 0 0 2.7600 -2.1006 2.1792 Br 0 0 0 0 0 0 0 0 0 -0.7386 1.9839 0.4056 H 0 0 0 0 0 0 0 0 0 -0.8338 -0.4563 0.2216 H 0 0 0 0 0 0 0 0 0 3.5112 1.8316 0.1928 H 0 0 0 0 0 0 0 0 0 1.4457 3.1321 0.4114 H 0 0 0 0 0 0 0 0 0 0.4189 -3.9538 -1.8846 H 0 0 0 0 0 0 0 0 0 1.9156 -5.5139 -3.0571 H 0 0 0 0 0 0 0 0 0 4.3147 -5.5712 -2.5234 H 0 0 0 0 0 0 0 0 0 5.2458 -4.0336 -0.8334 H 0 0 0 0 0 0 0 0 0 4.9171 -2.3628 0.8410 H 0 0 0 0 0 0 0 0 0 4.6321 -0.1210 0.3169 H 0 0 0 0 0 0 0 0 0 -2.9532 -5.7960 2.7863 H 0 0 0 0 0 0 0 0 0 -3.1968 -8.2386 2.9361 H 0 0 0 0 0 0 0 0 0 -1.5773 -9.7124 1.8147 H 0 0 0 0 0 0 0 0 0 0.2969 -8.7542 0.5419 H 0 0 0 0 0 0 0 0 0 0.5618 -6.3141 0.3826 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 4 17 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 14 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 16 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 16 27 1 1 0 0 0 16 17 1 6 0 0 0 16 36 1 0 0 0 0 17 26 1 6 0 0 0 17 37 1 1 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 20 25 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 M END > 670140 > K $$$$ 670224 1016 111283D 670224 58 59 0 1 V2000 2.5759 3.1317 -4.3900 C 0 0 0 0 0 0 0 0 0 2.9710 2.1482 -5.5036 C 0 0 0 0 0 0 0 0 0 4.3217 1.5170 -5.1258 C 0 0 0 0 0 0 0 0 0 4.2870 0.8695 -3.7382 C 0 0 0 0 0 0 0 0 0 3.8997 1.8739 -2.6421 C 0 0 0 0 0 0 0 0 0 2.5293 2.4478 -3.0220 C 0 0 0 0 0 0 0 0 0 2.0034 1.9811 0.2561 C 0 0 0 0 0 0 0 0 0 3.3262 2.0512 -0.1733 C 0 0 0 0 0 0 0 0 0 4.1910 2.9583 0.4300 C 0 0 0 0 0 0 0 0 0 3.7438 3.7826 1.4541 C 0 0 0 0 0 0 0 0 0 2.4252 3.7063 1.8807 C 0 0 0 0 0 0 0 0 0 1.5564 2.8066 1.2794 C 0 0 0 0 0 0 0 0 0 3.8325 1.1619 -1.2806 C 0 0 0 0 0 0 0 0 0 1.8623 4.7352 3.1659 Cl 0 0 0 0 0 0 0 0 0 4.7453 3.0093 -2.5796 O 0 0 0 0 0 0 0 0 0 6.1434 2.8021 -2.5011 C 0 0 0 0 0 0 0 0 0 6.7626 4.1879 -2.3617 C 0 0 0 0 0 0 0 0 0 8.2116 4.1491 -2.1591 N 0 0 0 0 0 0 0 0 0 8.9845 3.7100 -3.3188 C 0 0 0 0 0 0 0 0 0 8.7210 5.3956 -1.5948 C 0 0 0 0 0 0 0 0 0 2.9424 2.7697 -6.9229 C 0 0 0 0 0 0 0 0 0 3.2375 1.6999 -7.9854 C 0 0 0 0 0 0 0 0 0 1.5448 3.3223 -7.2437 C 0 0 0 0 0 0 0 0 0 3.9546 3.9108 -7.1005 C 0 0 0 0 0 0 0 0 0 0.8687 0.8692 -0.4614 Cl 0 0 0 0 0 0 0 0 0 3.2870 3.9444 -4.3464 H 0 0 0 0 0 0 0 0 0 1.5943 3.5385 -4.5789 H 0 0 0 0 0 0 0 0 0 2.2372 1.3534 -5.4954 H 0 0 0 0 0 0 0 0 0 4.5849 0.7475 -5.8356 H 0 0 0 0 0 0 0 0 0 5.0897 2.2755 -5.1366 H 0 0 0 0 0 0 0 0 0 3.5667 0.0635 -3.7518 H 0 0 0 0 0 0 0 0 0 5.2555 0.4453 -3.5190 H 0 0 0 0 0 0 0 0 0 2.2344 3.1858 -2.2905 H 0 0 0 0 0 0 0 0 0 1.7894 1.6603 -3.0416 H 0 0 0 0 0 0 0 0 0 5.1899 3.0251 0.1146 H 0 0 0 0 0 0 0 0 0 4.4021 4.4641 1.9067 H 0 0 0 0 0 0 0 0 0 0.5579 2.7498 1.5990 H 0 0 0 0 0 0 0 0 0 3.1969 0.2934 -1.3671 H 0 0 0 0 0 0 0 0 0 4.8173 0.8066 -1.0168 H 0 0 0 0 0 0 0 0 0 6.4174 2.2081 -1.6421 H 0 0 0 0 0 0 0 0 0 6.5201 2.3324 -3.3965 H 0 0 0 0 0 0 0 0 0 6.5156 4.7713 -3.2377 H 0 0 0 0 0 0 0 0 0 6.2840 4.6465 -1.5078 H 0 0 0 0 0 0 0 0 0 10.0348 3.6662 -3.0676 H 0 0 0 0 0 0 0 0 0 8.6786 2.7228 -3.6311 H 0 0 0 0 0 0 0 0 0 8.8503 4.3971 -4.1426 H 0 0 0 0 0 0 0 0 0 8.5851 6.2089 -2.2941 H 0 0 0 0 0 0 0 0 0 8.1969 5.6292 -0.6788 H 0 0 0 0 0 0 0 0 0 9.7724 5.2993 -1.3647 H 0 0 0 0 0 0 0 0 0 2.5533 0.8703 -7.8791 H 0 0 0 0 0 0 0 0 0 3.1242 2.1150 -8.9771 H 0 0 0 0 0 0 0 0 0 4.2494 1.3346 -7.8936 H 0 0 0 0 0 0 0 0 0 0.7980 2.5544 -7.1003 H 0 0 0 0 0 0 0 0 0 1.3087 4.1644 -6.6102 H 0 0 0 0 0 0 0 0 0 1.5002 3.6603 -8.2694 H 0 0 0 0 0 0 0 0 0 3.8897 4.3113 -8.1024 H 0 0 0 0 0 0 0 0 0 3.7528 4.7099 -6.4025 H 0 0 0 0 0 0 0 0 0 4.9621 3.5551 -6.9439 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 15 1 0 0 0 0 5 13 1 0 0 0 0 5 6 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 25 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 M END > 670224 > K $$$$ 670225 1016 111283D 670225 61 62 0 1 V2000 1.1089 2.4167 -2.9926 C 0 0 0 0 0 0 0 0 0 0.2977 3.7097 -3.1937 C 0 0 0 0 0 0 0 0 0 0.6767 4.7818 -2.1550 C 0 0 0 0 0 0 0 0 0 0.6409 4.2426 -0.7243 C 0 0 0 0 0 0 0 0 0 1.6531 3.1078 -0.5494 C 0 0 0 0 0 0 0 0 0 1.2568 1.9861 -1.5305 C 0 0 0 0 0 0 0 0 0 2.0304 0.1204 1.0465 C 0 0 0 0 0 0 0 0 0 2.5196 1.4206 1.0951 C 0 0 0 0 0 0 0 0 0 3.8731 1.6341 1.3285 C 0 0 0 0 0 0 0 0 0 4.7299 0.5563 1.5122 C 0 0 0 0 0 0 0 0 0 4.2405 -0.7436 1.4563 C 0 0 0 0 0 0 0 0 0 2.8867 -0.9574 1.2274 C 0 0 0 0 0 0 0 0 0 1.5863 2.5853 0.8917 C 0 0 0 0 0 0 0 0 0 5.1645 -1.9128 1.6427 C 0 0 0 0 0 0 0 0 0 2.9386 3.7064 -0.6101 O 0 0 0 0 0 0 0 0 0 3.7777 3.4460 -1.7161 C 0 0 0 0 0 0 0 0 0 5.1197 4.1253 -1.4749 C 0 0 0 0 0 0 0 0 0 6.0837 3.8780 -2.5497 N 0 0 0 0 0 0 0 0 0 5.6999 4.3616 -3.8751 C 0 0 0 0 0 0 0 0 0 7.4341 4.2898 -2.1801 C 0 0 0 0 0 0 0 0 0 0.3499 4.2273 -4.6543 C 0 0 0 0 0 0 0 0 0 -0.6160 5.4062 -4.8445 C 0 0 0 0 0 0 0 0 0 1.7504 4.6962 -5.0807 C 0 0 0 0 0 0 0 0 0 -0.0973 3.1316 -5.6339 C 0 0 0 0 0 0 0 0 0 0.6181 1.6078 -3.5142 H 0 0 0 0 0 0 0 0 0 2.0877 2.5126 -3.4290 H 0 0 0 0 0 0 0 0 0 -0.7302 3.4479 -2.9825 H 0 0 0 0 0 0 0 0 0 1.6636 5.1731 -2.3459 H 0 0 0 0 0 0 0 0 0 -0.0236 5.6019 -2.2070 H 0 0 0 0 0 0 0 0 0 0.8839 5.0428 -0.0401 H 0 0 0 0 0 0 0 0 0 -0.3565 3.8884 -0.5042 H 0 0 0 0 0 0 0 0 0 0.2977 1.5979 -1.2169 H 0 0 0 0 0 0 0 0 0 1.9730 1.1792 -1.4833 H 0 0 0 0 0 0 0 0 0 1.0090 -0.0523 0.8722 H 0 0 0 0 0 0 0 0 0 4.2507 2.6139 1.3665 H 0 0 0 0 0 0 0 0 0 5.7502 0.7285 1.6924 H 0 0 0 0 0 0 0 0 0 2.5059 -1.9355 1.1890 H 0 0 0 0 0 0 0 0 0 1.8698 3.3825 1.5640 H 0 0 0 0 0 0 0 0 0 0.5758 2.2870 1.1311 H 0 0 0 0 0 0 0 0 0 5.2204 -2.1552 2.6941 H 0 0 0 0 0 0 0 0 0 4.7947 -2.7720 1.1014 H 0 0 0 0 0 0 0 0 0 6.1535 -1.6724 1.2803 H 0 0 0 0 0 0 0 0 0 3.9393 2.3856 -1.8472 H 0 0 0 0 0 0 0 0 0 3.3575 3.8807 -2.6068 H 0 0 0 0 0 0 0 0 0 4.9534 5.1869 -1.3561 H 0 0 0 0 0 0 0 0 0 5.5011 3.7341 -0.5425 H 0 0 0 0 0 0 0 0 0 6.4756 4.1369 -4.5933 H 0 0 0 0 0 0 0 0 0 4.7977 3.8736 -4.2120 H 0 0 0 0 0 0 0 0 0 5.5383 5.4303 -3.8563 H 0 0 0 0 0 0 0 0 0 7.4812 5.3636 -2.0632 H 0 0 0 0 0 0 0 0 0 7.7237 3.8210 -1.2504 H 0 0 0 0 0 0 0 0 0 8.1367 3.9866 -2.9431 H 0 0 0 0 0 0 0 0 0 -0.6355 5.7105 -5.8815 H 0 0 0 0 0 0 0 0 0 -1.6154 5.1203 -4.5495 H 0 0 0 0 0 0 0 0 0 -0.3056 6.2565 -4.2557 H 0 0 0 0 0 0 0 0 0 1.7272 5.0540 -6.1002 H 0 0 0 0 0 0 0 0 0 2.0939 5.5032 -4.4509 H 0 0 0 0 0 0 0 0 0 2.4617 3.8861 -5.0286 H 0 0 0 0 0 0 0 0 0 -0.1360 3.5207 -6.6415 H 0 0 0 0 0 0 0 0 0 0.5964 2.3037 -5.6250 H 0 0 0 0 0 0 0 0 0 -1.0789 2.7691 -5.3646 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 21 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 15 1 0 0 0 0 5 13 1 0 0 0 0 5 6 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 7 34 1 0 0 0 0 8 13 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 12 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 M END > 670225 > K $$$$ 670226 1016 111283D 670226 58 59 0 1 V2000 -0.3873 -0.9968 3.0570 C 0 0 0 0 0 0 0 0 0 -1.0377 -2.3041 2.5770 C 0 0 0 0 0 0 0 0 0 -1.9582 -1.9656 1.3922 C 0 0 0 0 0 0 0 0 0 -1.1987 -1.2634 0.2648 C 0 0 0 0 0 0 0 0 0 -0.5424 0.0401 0.7400 C 0 0 0 0 0 0 0 0 0 0.3762 -0.3081 1.9220 C 0 0 0 0 0 0 0 0 0 -0.7086 0.1408 -2.6457 C 0 0 0 0 0 0 0 0 0 -0.5411 1.0399 -1.5981 C 0 0 0 0 0 0 0 0 0 -1.1453 2.2906 -1.6688 C 0 0 0 0 0 0 0 0 0 -1.9056 2.6404 -2.7774 C 0 0 0 0 0 0 0 0 0 -2.0668 1.7398 -3.8216 C 0 0 0 0 0 0 0 0 0 -1.4683 0.4890 -3.7548 C 0 0 0 0 0 0 0 0 0 -1.7355 -3.1180 3.6953 C 0 0 0 0 0 0 0 0 0 -2.1221 -4.5087 3.1688 C 0 0 0 0 0 0 0 0 0 -0.7893 -3.3521 4.8830 C 0 0 0 0 0 0 0 0 0 -3.0034 -2.4374 4.2304 C 0 0 0 0 0 0 0 0 0 0.2881 0.6543 -0.4005 C 0 0 0 0 0 0 0 0 0 -1.6211 0.8888 1.0978 O 0 0 0 0 0 0 0 0 0 -1.3123 2.0772 1.8040 C 0 0 0 0 0 0 0 0 0 -2.5638 2.9470 1.8518 C 0 0 0 0 0 0 0 0 0 -2.2969 4.2457 2.4733 N 0 0 0 0 0 0 0 0 0 -3.2677 5.2674 2.0930 C 0 0 0 0 0 0 0 0 0 -2.0648 4.2077 3.9156 C 0 0 0 0 0 0 0 0 0 -2.7926 2.0743 -4.8849 F 0 0 0 0 0 0 0 0 0 -1.1474 -0.3319 3.4401 H 0 0 0 0 0 0 0 0 0 0.3242 -1.1994 3.8431 H 0 0 0 0 0 0 0 0 0 -0.2374 -2.9242 2.1964 H 0 0 0 0 0 0 0 0 0 -2.3925 -2.8655 0.9839 H 0 0 0 0 0 0 0 0 0 -2.7561 -1.3144 1.7201 H 0 0 0 0 0 0 0 0 0 -0.4460 -1.9353 -0.1230 H 0 0 0 0 0 0 0 0 0 -1.9048 -1.0402 -0.5215 H 0 0 0 0 0 0 0 0 0 0.8402 0.5899 2.3024 H 0 0 0 0 0 0 0 0 0 1.1614 -0.9696 1.5834 H 0 0 0 0 0 0 0 0 0 -0.2595 -0.8077 -2.6026 H 0 0 0 0 0 0 0 0 0 -1.0298 2.9792 -0.8851 H 0 0 0 0 0 0 0 0 0 -2.3597 3.5861 -2.8276 H 0 0 0 0 0 0 0 0 0 -1.5914 -0.1927 -4.5440 H 0 0 0 0 0 0 0 0 0 -2.8585 -4.4341 2.3829 H 0 0 0 0 0 0 0 0 0 -1.2498 -5.0165 2.7825 H 0 0 0 0 0 0 0 0 0 -2.5439 -5.1071 3.9640 H 0 0 0 0 0 0 0 0 0 0.1382 -3.7893 4.5421 H 0 0 0 0 0 0 0 0 0 -0.5753 -2.4225 5.3897 H 0 0 0 0 0 0 0 0 0 -1.2444 -4.0207 5.6002 H 0 0 0 0 0 0 0 0 0 -3.7409 -2.3384 3.4476 H 0 0 0 0 0 0 0 0 0 -3.4345 -3.0294 5.0253 H 0 0 0 0 0 0 0 0 0 -2.7712 -1.4570 4.6191 H 0 0 0 0 0 0 0 0 0 0.8010 1.5322 -0.0372 H 0 0 0 0 0 0 0 0 0 1.0429 -0.0552 -0.7093 H 0 0 0 0 0 0 0 0 0 -1.0100 1.8427 2.8128 H 0 0 0 0 0 0 0 0 0 -0.5287 2.6420 1.3219 H 0 0 0 0 0 0 0 0 0 -2.8800 3.0843 0.8275 H 0 0 0 0 0 0 0 0 0 -3.3478 2.4219 2.3794 H 0 0 0 0 0 0 0 0 0 -2.9665 6.2303 2.4804 H 0 0 0 0 0 0 0 0 0 -3.3250 5.3426 1.0163 H 0 0 0 0 0 0 0 0 0 -4.2460 5.0206 2.4810 H 0 0 0 0 0 0 0 0 0 -1.8085 5.1941 4.2755 H 0 0 0 0 0 0 0 0 0 -2.9528 3.8674 4.4296 H 0 0 0 0 0 0 0 0 0 -1.2456 3.5468 4.1560 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 13 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 18 1 0 0 0 0 5 17 1 0 0 0 0 5 6 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 7 34 1 0 0 0 0 8 17 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 24 1 0 0 0 0 11 12 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 M END > 670226 > K $$$$ 670229 1016 111283D 670229 61 62 0 1 V2000 3.0051 3.4727 5.1961 C 0 0 0 0 0 0 0 0 0 2.6726 1.9748 5.3122 C 0 0 0 0 0 0 0 0 0 2.1546 1.4326 3.9678 C 0 0 0 0 0 0 0 0 0 1.0838 2.3155 3.3171 C 0 0 0 0 0 0 0 0 0 1.4097 3.8216 3.2611 C 0 0 0 0 0 0 0 0 0 1.8187 4.2772 4.6648 C 0 0 0 0 0 0 0 0 0 -1.4693 3.4219 1.3272 C 0 0 0 0 0 0 0 0 0 -0.3387 4.2160 1.4825 C 0 0 0 0 0 0 0 0 0 0.3452 4.6597 0.3570 C 0 0 0 0 0 0 0 0 0 -0.1037 4.3239 -0.9133 C 0 0 0 0 0 0 0 0 0 -1.2424 3.5420 -1.0682 C 0 0 0 0 0 0 0 0 0 -1.9189 3.0858 0.0568 C 0 0 0 0 0 0 0 0 0 3.8294 1.1327 5.9085 C 0 0 0 0 0 0 0 0 0 3.4056 -0.3357 6.0639 C 0 0 0 0 0 0 0 0 0 5.1064 1.1725 5.0546 C 0 0 0 0 0 0 0 0 0 4.1901 1.6303 7.3167 C 0 0 0 0 0 0 0 0 0 0.1466 4.5942 2.8565 C 0 0 0 0 0 0 0 0 0 2.4026 4.3114 2.3713 O 0 0 0 0 0 0 0 0 0 3.3047 3.4072 1.7662 C 0 0 0 0 0 0 0 0 0 4.2448 4.1813 0.8476 C 0 0 0 0 0 0 0 0 0 5.2003 3.3166 0.1500 N 0 0 0 0 0 0 0 0 0 5.8961 4.0084 -0.9314 C 0 0 0 0 0 0 0 0 0 6.1213 2.5754 1.0099 C 0 0 0 0 0 0 0 0 0 -1.7368 3.1914 -2.4426 C 0 0 0 0 0 0 0 0 0 3.2456 3.8706 6.1702 H 0 0 0 0 0 0 0 0 0 3.8534 3.6299 4.5482 H 0 0 0 0 0 0 0 0 0 1.8433 1.9046 6.0030 H 0 0 0 0 0 0 0 0 0 2.9702 1.2924 3.2795 H 0 0 0 0 0 0 0 0 0 1.7067 0.4627 4.1263 H 0 0 0 0 0 0 0 0 0 0.8793 1.9456 2.3228 H 0 0 0 0 0 0 0 0 0 0.1860 2.1936 3.9069 H 0 0 0 0 0 0 0 0 0 0.9888 4.1593 5.3474 H 0 0 0 0 0 0 0 0 0 2.0908 5.3225 4.6290 H 0 0 0 0 0 0 0 0 0 -1.9892 3.0728 2.1705 H 0 0 0 0 0 0 0 0 0 1.2053 5.2530 0.4665 H 0 0 0 0 0 0 0 0 0 0.4216 4.6649 -1.7566 H 0 0 0 0 0 0 0 0 0 -2.7748 2.4859 -0.0498 H 0 0 0 0 0 0 0 0 0 4.1808 -0.9000 6.5628 H 0 0 0 0 0 0 0 0 0 2.4994 -0.4016 6.6490 H 0 0 0 0 0 0 0 0 0 3.2340 -0.7898 5.0989 H 0 0 0 0 0 0 0 0 0 5.4735 2.1840 4.9634 H 0 0 0 0 0 0 0 0 0 5.8790 0.5746 5.5171 H 0 0 0 0 0 0 0 0 0 4.9227 0.7775 4.0669 H 0 0 0 0 0 0 0 0 0 4.6068 2.6257 7.2790 H 0 0 0 0 0 0 0 0 0 3.3111 1.6411 7.9452 H 0 0 0 0 0 0 0 0 0 4.9278 0.9808 7.7664 H 0 0 0 0 0 0 0 0 0 -0.6377 4.4165 3.5788 H 0 0 0 0 0 0 0 0 0 0.3699 5.6515 2.8599 H 0 0 0 0 0 0 0 0 0 3.9108 2.9342 2.5190 H 0 0 0 0 0 0 0 0 0 2.7790 2.6661 1.1812 H 0 0 0 0 0 0 0 0 0 3.6256 4.6958 0.1267 H 0 0 0 0 0 0 0 0 0 4.7708 4.9221 1.4338 H 0 0 0 0 0 0 0 0 0 6.4904 3.3055 -1.4979 H 0 0 0 0 0 0 0 0 0 5.1845 4.4643 -1.6048 H 0 0 0 0 0 0 0 0 0 6.5446 4.7755 -0.5319 H 0 0 0 0 0 0 0 0 0 6.6941 3.2568 1.6230 H 0 0 0 0 0 0 0 0 0 5.5798 1.8942 1.6491 H 0 0 0 0 0 0 0 0 0 6.8011 1.9862 0.4111 H 0 0 0 0 0 0 0 0 0 -1.2567 2.2816 -2.7723 H 0 0 0 0 0 0 0 0 0 -2.8068 3.0425 -2.4289 H 0 0 0 0 0 0 0 0 0 -1.5052 3.9863 -3.1368 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 13 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 18 1 0 0 0 0 5 17 1 0 0 0 0 5 6 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 7 34 1 0 0 0 0 8 17 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 11 24 1 0 0 0 0 11 12 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 M END > 670229 > K $$$$ 671136 1016 111283D 671136 53 57 0 1 V2000 5.7811 -11.6839 -2.5741 C 0 0 0 0 0 0 0 0 0 6.9939 -11.4597 -1.9363 C 0 0 0 0 0 0 0 0 0 7.3662 -10.1680 -1.5866 C 0 0 0 0 0 0 0 0 0 6.5342 -9.0908 -1.8719 C 0 0 0 0 0 0 0 0 0 5.3172 -9.3248 -2.5046 C 0 0 0 0 0 0 0 0 0 4.9413 -10.6149 -2.8568 C 0 0 0 0 0 0 0 0 0 9.7414 -4.2837 -2.6452 C 0 0 0 0 0 0 0 0 0 9.6617 -5.4511 -1.8949 C 0 0 0 0 0 0 0 0 0 10.8310 -6.0786 -1.4798 C 0 0 0 0 0 0 0 0 0 12.0694 -5.5442 -1.8104 C 0 0 0 0 0 0 0 0 0 12.1427 -4.3782 -2.5609 C 0 0 0 0 0 0 0 0 0 10.9782 -3.7474 -2.9787 C 0 0 0 0 0 0 0 0 0 6.9036 -7.8179 -1.5334 N 0 0 0 0 0 0 0 0 0 6.0615 -7.1231 -0.7184 C 0 0 0 0 0 0 0 0 0 6.3947 -5.7125 -0.3690 C 0 0 0 0 0 0 0 0 0 7.6051 -5.2223 -0.8045 C 0 0 0 0 0 0 0 0 0 8.4474 -5.9791 -1.5654 N 0 0 0 0 0 0 0 0 0 8.0690 -7.2381 -1.9823 C 0 0 0 0 0 0 0 0 0 8.9795 -8.0169 -2.9913 S 0 0 0 0 0 0 0 0 0 7.8440 -3.6190 -0.2596 S 0 0 0 0 0 0 0 0 0 6.3135 -3.6044 0.5094 C 0 0 0 0 0 0 0 0 0 5.0632 -7.6481 -0.2849 O 0 0 0 0 0 0 0 0 0 5.6372 -4.8031 0.3536 C 0 0 0 0 0 0 0 0 0 4.3918 -5.0481 0.8480 O 0 0 0 0 0 0 0 0 0 3.5772 -5.5812 -0.1047 C 0 0 0 0 0 0 0 0 0 3.8682 -5.4553 -1.2717 O 0 0 0 0 0 0 0 0 0 1.9242 -6.3362 1.6074 C 0 0 0 0 0 0 0 0 0 0.7734 -7.0213 1.9757 C 0 0 0 0 0 0 0 0 0 0.0298 -7.6945 1.0157 C 0 0 0 0 0 0 0 0 0 0.4329 -7.6751 -0.3123 C 0 0 0 0 0 0 0 0 0 1.5809 -6.9892 -0.6840 C 0 0 0 0 0 0 0 0 0 2.3310 -6.3201 0.2781 C 0 0 0 0 0 0 0 0 0 5.7700 -2.4274 1.2625 C 0 0 0 0 0 0 0 0 0 4.6892 -2.4903 1.7975 O 0 0 0 0 0 0 0 0 0 6.5597 -1.1589 1.3615 C 0 0 0 0 0 0 0 0 0 -1.4067 -8.5637 1.4704 Cl 0 0 0 0 0 0 0 0 0 2.0333 -7.0025 -2.3673 Cl 0 0 0 0 0 0 0 0 0 5.4996 -12.6601 -2.8420 H 0 0 0 0 0 0 0 0 0 7.6296 -12.2668 -1.7179 H 0 0 0 0 0 0 0 0 0 8.2825 -10.0048 -1.1009 H 0 0 0 0 0 0 0 0 0 4.6775 -8.5200 -2.7200 H 0 0 0 0 0 0 0 0 0 4.0220 -10.7818 -3.3372 H 0 0 0 0 0 0 0 0 0 8.8615 -3.8066 -2.9626 H 0 0 0 0 0 0 0 0 0 10.7773 -6.9603 -0.9116 H 0 0 0 0 0 0 0 0 0 12.9494 -6.0220 -1.4925 H 0 0 0 0 0 0 0 0 0 13.0786 -3.9733 -2.8126 H 0 0 0 0 0 0 0 0 0 11.0315 -2.8656 -3.5468 H 0 0 0 0 0 0 0 0 0 2.4867 -5.8290 2.3368 H 0 0 0 0 0 0 0 0 0 0.4644 -7.0310 2.9796 H 0 0 0 0 0 0 0 0 0 -0.1311 -8.1803 -1.0397 H 0 0 0 0 0 0 0 0 0 6.7388 -0.7681 0.3709 H 0 0 0 0 0 0 0 0 0 6.0025 -0.4343 1.9368 H 0 0 0 0 0 0 0 0 0 7.5022 -1.3562 1.8502 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 13 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 7 43 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 22 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 32 1 0 0 0 0 27 32 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 36 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 37 1 0 0 0 0 31 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 M END > 671136 > K $$$$ 671394 1016 111283D 671394 72 76 0 1 V2000 -1.7856 3.4741 3.4196 C 0 0 0 0 0 0 0 0 0 -2.6832 2.5137 3.0323 N 0 0 0 0 0 0 0 0 0 -3.6423 2.4272 3.9926 C 0 0 0 0 0 0 0 0 0 -3.3017 3.4606 5.0249 C 0 0 0 0 0 0 0 0 0 -2.1404 4.0368 4.6131 N 0 0 0 0 0 0 0 0 0 -0.5142 3.9003 2.6163 S 0 0 0 0 0 0 0 0 0 -1.4704 5.0125 5.2974 C 0 0 0 0 0 0 0 0 0 -3.9619 3.7336 6.0583 N 0 0 0 0 0 0 0 0 0 -4.6009 1.6159 3.9867 N 0 0 0 0 0 0 0 0 0 -2.6409 1.7635 1.8869 C 0 0 0 0 0 0 0 0 0 -2.0294 6.2755 5.4376 C 0 0 0 0 0 0 0 0 0 -1.3722 7.2669 6.1539 C 0 0 0 0 0 0 0 0 0 -0.1343 7.0383 6.7520 C 0 0 0 0 0 0 0 0 0 0.4157 5.7654 6.6031 C 0 0 0 0 0 0 0 0 0 -0.2337 4.7696 5.8805 C 0 0 0 0 0 0 0 0 0 -3.7785 1.5980 1.1019 C 0 0 0 0 0 0 0 0 0 -3.7415 0.8352 -0.0612 C 0 0 0 0 0 0 0 0 0 -2.5591 0.2181 -0.4622 C 0 0 0 0 0 0 0 0 0 -1.4244 0.3847 0.3197 C 0 0 0 0 0 0 0 0 0 -1.4613 1.1496 1.4794 C 0 0 0 0 0 0 0 0 0 -2.4039 -0.5546 -1.5782 O 0 0 0 0 0 0 0 0 0 -3.5169 -0.7693 -2.4233 C 0 0 0 0 0 0 0 0 0 0.4959 8.0466 7.4555 N 0 0 0 0 0 0 0 0 0 -0.1901 9.2853 7.7500 C 0 0 0 0 0 0 0 0 0 1.8526 7.9602 7.9472 C 0 0 0 0 0 0 0 0 0 -5.6536 1.6504 4.8469 C 0 0 0 0 0 0 0 0 0 -6.4504 2.7871 4.9134 C 0 0 0 0 0 0 0 0 0 -7.5390 2.8255 5.7728 C 0 0 0 0 0 0 0 0 0 -7.8496 1.7365 6.5744 C 0 0 0 0 0 0 0 0 0 -7.0382 0.6055 6.5171 C 0 0 0 0 0 0 0 0 0 -5.9463 0.5622 5.6572 C 0 0 0 0 0 0 0 0 0 -3.4475 4.4325 7.1052 C 0 0 0 0 0 0 0 0 0 -3.9841 5.6508 7.4961 C 0 0 0 0 0 0 0 0 0 -3.4131 6.3478 8.5541 C 0 0 0 0 0 0 0 0 0 -2.3143 5.8425 9.2381 C 0 0 0 0 0 0 0 0 0 -1.7872 4.6146 8.8483 C 0 0 0 0 0 0 0 0 0 -2.3539 3.9151 7.7916 C 0 0 0 0 0 0 0 0 0 -8.9538 1.8887 7.3624 O 0 0 0 0 0 0 0 0 0 -9.3531 0.8280 8.2064 C 0 0 0 0 0 0 0 0 0 -1.8309 6.6086 10.2600 O 0 0 0 0 0 0 0 0 0 -0.7069 6.1416 10.9813 C 0 0 0 0 0 0 0 0 0 -2.9617 6.4817 5.0019 H 0 0 0 0 0 0 0 0 0 -1.8353 8.2042 6.2364 H 0 0 0 0 0 0 0 0 0 1.3382 5.5326 7.0407 H 0 0 0 0 0 0 0 0 0 0.2093 3.8234 5.7792 H 0 0 0 0 0 0 0 0 0 -4.6783 2.0578 1.3891 H 0 0 0 0 0 0 0 0 0 -4.6156 0.7302 -0.6338 H 0 0 0 0 0 0 0 0 0 -0.5295 -0.0786 0.0221 H 0 0 0 0 0 0 0 0 0 -0.5873 1.2579 2.0512 H 0 0 0 0 0 0 0 0 0 -3.2095 -1.4256 -3.2246 H 0 0 0 0 0 0 0 0 0 -4.3254 -1.2433 -1.8849 H 0 0 0 0 0 0 0 0 0 -3.8538 0.1628 -2.8545 H 0 0 0 0 0 0 0 0 0 -1.1281 9.0812 8.2480 H 0 0 0 0 0 0 0 0 0 0.3934 9.9284 8.3947 H 0 0 0 0 0 0 0 0 0 -0.3788 9.8219 6.8306 H 0 0 0 0 0 0 0 0 0 2.4383 7.1884 7.4745 H 0 0 0 0 0 0 0 0 0 2.3641 8.8954 7.7646 H 0 0 0 0 0 0 0 0 0 1.8314 7.7881 9.0147 H 0 0 0 0 0 0 0 0 0 -6.2306 3.6193 4.3116 H 0 0 0 0 0 0 0 0 0 -8.1392 3.6843 5.8228 H 0 0 0 0 0 0 0 0 0 -7.2422 -0.2254 7.1225 H 0 0 0 0 0 0 0 0 0 -5.3381 -0.2925 5.6169 H 0 0 0 0 0 0 0 0 0 -4.8142 6.0425 6.9875 H 0 0 0 0 0 0 0 0 0 -3.8127 7.2725 8.8466 H 0 0 0 0 0 0 0 0 0 -0.9591 4.2051 9.3453 H 0 0 0 0 0 0 0 0 0 -1.9495 2.9885 7.5040 H 0 0 0 0 0 0 0 0 0 -8.5462 0.5316 8.8605 H 0 0 0 0 0 0 0 0 0 -10.1753 1.1761 8.8153 H 0 0 0 0 0 0 0 0 0 -9.6918 -0.0169 7.6236 H 0 0 0 0 0 0 0 0 0 0.1418 5.9966 10.3273 H 0 0 0 0 0 0 0 0 0 -0.4436 6.8820 11.7223 H 0 0 0 0 0 0 0 0 0 -0.9420 5.2178 11.4911 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 9 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 8 32 1 0 0 0 0 9 26 1 0 0 0 0 10 16 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 43 1 0 0 0 0 13 23 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 29 2 0 0 0 0 28 60 1 0 0 0 0 29 38 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 64 1 0 0 0 0 35 40 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 M END > 671394 > K $$$$ 672425 1016 111283D 672425 39 42 1 1 V2000 0.5211 1.5012 0.2759 C 0 0 0 0 0 0 0 0 0 0.6432 0.1406 0.2599 C 0 0 0 0 0 0 0 0 0 1.9235 -0.4780 0.5607 C 0 0 0 0 0 0 0 0 0 1.6803 2.3780 0.5888 C 0 0 0 0 0 0 0 0 0 -0.6770 2.0540 -0.0093 O 0 0 0 0 0 0 0 0 0 -0.7779 3.4177 0.0065 C 0 0 0 0 0 0 0 0 0 0.3326 4.2192 0.3166 C 0 0 0 0 0 0 0 0 0 1.5242 3.6584 0.5936 N 0 0 0 0 0 0 0 0 0 -2.0040 4.0025 -0.2812 C 0 0 0 0 0 0 0 0 0 -2.1319 5.3788 -0.2721 C 0 0 0 0 0 0 0 0 0 -1.0230 6.1825 0.0356 C 0 0 0 0 0 0 0 0 0 0.1914 5.6205 0.3219 C 0 0 0 0 0 0 0 0 0 2.9881 1.7547 0.8976 C 0 0 0 0 0 0 0 0 0 3.1050 0.3505 0.8791 C 0 0 0 0 0 0 0 0 0 4.3206 -0.2525 1.1633 C 0 0 0 0 0 0 0 0 0 5.4183 0.5336 1.4605 C 0 0 0 0 0 0 0 0 0 5.3067 1.9261 1.4790 C 0 0 0 0 0 0 0 0 0 4.0967 2.5335 1.1950 C 0 0 0 0 0 0 0 0 0 2.0030 -1.6972 0.5402 O 0 0 0 0 0 0 0 0 0 -1.1751 7.6811 0.0438 C 0 0 0 0 0 0 0 0 0 -1.1739 8.1802 1.4927 C 0 0 2 0 0 0 0 0 0 -2.3620 7.6758 2.1730 N 0 0 0 0 0 0 0 0 0 -1.1772 9.6872 1.4955 C 0 0 0 0 0 0 0 0 0 -2.1014 10.2939 2.0343 O 0 0 0 0 0 0 0 0 0 -0.1629 10.3695 0.9022 O 0 0 0 0 0 0 0 0 0 -0.1727 -0.4780 0.0396 H 0 0 0 0 0 0 0 0 0 -2.8484 3.3966 -0.5154 H 0 0 0 0 0 0 0 0 0 -3.0624 5.8320 -0.4909 H 0 0 0 0 0 0 0 0 0 1.0238 6.2396 0.5560 H 0 0 0 0 0 0 0 0 0 4.4102 -1.3139 1.1512 H 0 0 0 0 0 0 0 0 0 6.3512 0.0793 1.6783 H 0 0 0 0 0 0 0 0 0 6.1556 2.5181 1.7089 H 0 0 0 0 0 0 0 0 0 4.0148 3.5953 1.2092 H 0 0 0 0 0 0 0 0 0 -0.3494 8.1285 -0.4974 H 0 0 0 0 0 0 0 0 0 -2.1110 7.9534 -0.4313 H 0 0 0 0 0 0 0 0 0 -0.2803 7.8259 1.9969 H 0 0 0 0 0 0 0 0 0 -3.1648 8.0345 1.6916 H 0 0 0 0 0 0 0 0 0 -2.3720 6.6801 2.0769 H 0 0 0 0 0 0 0 0 0 -0.2052 11.3277 0.9278 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 3 19 2 0 0 0 0 3 14 1 0 0 0 0 4 8 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 20 1 0 0 0 0 11 12 2 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 39 1 0 0 0 0 M END > 672425 > K $$$$ 672911 1016 111283D 672911 39 42 1 1 V2000 -1.1013 2.5799 -1.2629 C 0 0 0 0 0 0 0 0 0 -1.8716 1.9512 -2.3319 N 0 0 0 0 0 0 0 0 0 -1.1330 1.6580 -3.5617 C 0 0 1 0 0 0 0 0 0 -0.0502 0.7954 -3.2524 O 0 0 0 0 0 0 0 0 0 -2.8378 0.3028 -3.4569 C 0 0 0 0 0 0 0 0 0 -1.9930 0.8631 -4.3504 O 0 0 0 0 0 0 0 0 0 2.7822 0.8088 -0.9717 C 0 0 0 0 0 0 0 0 0 2.3301 1.6517 0.0347 C 0 0 0 0 0 0 0 0 0 1.0704 2.2284 -0.0578 C 0 0 0 0 0 0 0 0 0 0.2607 1.9578 -1.1544 C 0 0 0 0 0 0 0 0 0 0.7077 1.1073 -2.1619 C 0 0 0 0 0 0 0 0 0 1.9709 0.5389 -2.0662 C 0 0 0 0 0 0 0 0 0 -1.9978 -0.2981 -1.1861 C 0 0 0 0 0 0 0 0 0 -2.9239 -1.4806 -0.8977 C 0 0 0 0 0 0 0 0 0 -4.2076 -0.9960 -0.2222 C 0 0 0 0 0 0 0 0 0 -4.9286 0.0169 -1.1141 C 0 0 0 0 0 0 0 0 0 -4.0211 1.2106 -1.4266 C 0 0 0 0 0 0 0 0 0 -2.6859 0.7761 -2.0450 C 0 0 0 0 0 0 0 0 0 -3.6547 -0.5211 -3.7913 O 0 0 0 0 0 0 0 0 0 -0.7038 2.9025 -4.3758 C 0 0 0 0 0 0 0 0 0 0.2433 3.6680 -3.7206 F 0 0 0 0 0 0 0 0 0 -0.1591 2.5352 -5.5920 F 0 0 0 0 0 0 0 0 0 -1.7942 3.7162 -4.6211 F 0 0 0 0 0 0 0 0 0 -0.9736 3.6284 -1.4920 H 0 0 0 0 0 0 0 0 0 -1.6225 2.5088 -0.3191 H 0 0 0 0 0 0 0 0 0 3.7372 0.3755 -0.9054 H 0 0 0 0 0 0 0 0 0 2.9409 1.8529 0.8658 H 0 0 0 0 0 0 0 0 0 0.7325 2.8687 0.7040 H 0 0 0 0 0 0 0 0 0 2.3105 -0.0977 -2.8290 H 0 0 0 0 0 0 0 0 0 -1.7046 0.1359 -0.2412 H 0 0 0 0 0 0 0 0 0 -1.1145 -0.6705 -1.6830 H 0 0 0 0 0 0 0 0 0 -3.1696 -1.9841 -1.8224 H 0 0 0 0 0 0 0 0 0 -2.4167 -2.1804 -0.2492 H 0 0 0 0 0 0 0 0 0 -4.8559 -1.8410 -0.0401 H 0 0 0 0 0 0 0 0 0 -3.9645 -0.5352 0.7252 H 0 0 0 0 0 0 0 0 0 -5.2238 -0.4674 -2.0343 H 0 0 0 0 0 0 0 0 0 -5.8191 0.3661 -0.6117 H 0 0 0 0 0 0 0 0 0 -4.5332 1.8841 -2.0991 H 0 0 0 0 0 0 0 0 0 -3.8233 1.7371 -0.5042 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 4 1 1 0 0 0 3 20 1 6 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 19 2 0 0 0 0 5 18 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M END > 672911 > K $$$$ 673622 1016 111283D 673622 58 60 1 1 V2000 -4.1494 5.4086 10.0546 C 0 0 0 0 0 0 0 0 0 -5.4025 5.1820 10.6175 C 0 0 0 0 0 0 0 0 0 -5.9421 3.8986 10.6731 C 0 0 0 0 0 0 0 0 0 -5.1906 2.8338 10.1875 C 0 0 0 0 0 0 0 0 0 -3.9254 3.0368 9.6516 C 0 0 0 0 0 0 0 0 0 -3.4183 4.3272 9.5728 C 0 0 0 0 0 0 0 0 0 -3.1132 1.8640 9.1641 C 0 0 1 0 0 0 0 0 0 -1.9119 -0.2409 7.8086 O 0 0 0 0 0 0 0 0 0 -2.2295 1.0587 11.3722 C 0 0 0 0 0 0 0 0 0 -3.0802 0.8572 10.2913 C 0 0 0 0 0 0 0 0 0 -3.8915 -0.2722 10.2713 C 0 0 0 0 0 0 0 0 0 -3.8501 -1.1832 11.3176 C 0 0 0 0 0 0 0 0 0 -2.9112 0.2501 7.3465 C 0 0 0 0 0 0 0 0 0 -3.5563 1.2959 7.9094 N 0 0 0 0 0 0 0 0 0 -4.6783 1.7080 7.0987 C 0 0 2 0 0 0 0 0 0 -4.4485 0.9616 5.7782 C 0 0 0 0 0 0 0 0 0 -3.5633 -0.2350 6.0994 C 0 0 0 0 0 0 0 0 0 -2.1915 0.1461 12.4190 C 0 0 0 0 0 0 0 0 0 -3.0034 -0.9850 12.3995 C 0 0 0 0 0 0 0 0 0 -5.6023 1.3975 7.5661 H 0 0 0 0 0 0 0 0 0 -6.1051 6.2365 11.1204 O 0 0 0 0 0 0 0 0 0 -7.0884 6.6828 10.2113 C 0 0 0 0 0 0 0 0 0 -3.7020 6.7014 10.0084 O 0 0 0 0 0 0 0 0 0 -2.5596 7.0050 9.2329 C 0 0 0 0 0 0 0 0 0 -7.1945 3.7425 11.2031 O 0 0 0 0 0 0 0 0 0 -7.6424 2.4385 11.5238 C 0 0 0 0 0 0 0 0 0 -4.7972 3.1268 6.6251 C 0 0 0 0 0 0 0 0 0 -5.8842 3.5548 6.3227 O 0 0 0 0 0 0 0 0 0 -3.6927 3.9119 6.5198 O 0 0 0 0 0 0 0 0 0 -3.7457 4.6612 5.3248 C 0 0 0 0 0 0 0 0 0 -3.0426 -1.9402 13.3738 O 0 0 0 0 0 0 0 0 0 -2.1997 -1.7930 14.4995 C 0 0 0 0 0 0 0 0 0 -5.5772 1.8609 10.2240 H 0 0 0 0 0 0 0 0 0 -2.4724 4.4800 9.1455 H 0 0 0 0 0 0 0 0 0 -2.0957 2.1973 9.0057 H 0 0 0 0 0 0 0 0 0 -1.6089 1.9058 11.4022 H 0 0 0 0 0 0 0 0 0 -4.5409 -0.4439 9.4640 H 0 0 0 0 0 0 0 0 0 -4.4639 -2.0342 11.2958 H 0 0 0 0 0 0 0 0 0 -5.3802 0.6788 5.3095 H 0 0 0 0 0 0 0 0 0 -3.8832 1.5799 5.0916 H 0 0 0 0 0 0 0 0 0 -2.8477 -0.4204 5.3119 H 0 0 0 0 0 0 0 0 0 -4.1538 -1.1108 6.3186 H 0 0 0 0 0 0 0 0 0 -1.5422 0.3214 13.2240 H 0 0 0 0 0 0 0 0 0 -7.8286 5.9142 10.0385 H 0 0 0 0 0 0 0 0 0 -7.5781 7.5476 10.6332 H 0 0 0 0 0 0 0 0 0 -6.6306 6.9667 9.2736 H 0 0 0 0 0 0 0 0 0 -1.6779 6.5712 9.6818 H 0 0 0 0 0 0 0 0 0 -2.6751 6.6468 8.2192 H 0 0 0 0 0 0 0 0 0 -2.4388 8.0782 9.2044 H 0 0 0 0 0 0 0 0 0 -7.8165 1.8670 10.6235 H 0 0 0 0 0 0 0 0 0 -6.9271 1.9260 12.1528 H 0 0 0 0 0 0 0 0 0 -8.5738 2.5159 12.0646 H 0 0 0 0 0 0 0 0 0 -3.7069 3.9885 4.4780 H 0 0 0 0 0 0 0 0 0 -4.6476 5.2545 5.2684 H 0 0 0 0 0 0 0 0 0 -2.8887 5.3154 5.2772 H 0 0 0 0 0 0 0 0 0 -1.1623 -1.7436 14.2003 H 0 0 0 0 0 0 0 0 0 -2.4659 -0.9072 15.0587 H 0 0 0 0 0 0 0 0 0 -2.3304 -2.6546 15.1377 H 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 21 1 0 0 0 0 2 3 1 0 0 0 0 3 25 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 7 1 0 0 0 0 5 6 2 0 0 0 0 6 34 1 0 0 0 0 7 14 1 1 0 0 0 7 10 1 6 0 0 0 7 35 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 19 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 27 1 1 0 0 0 15 16 1 0 0 0 0 15 20 1 6 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 31 1 0 0 0 0 21 22 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 29 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END > 673622 > K $$$$ 673912 1016 111283D 673912 27 30 1 1 V2000 0.2095 1.6351 -0.0165 C 0 0 0 0 0 0 0 0 0 0.3213 0.1097 0.0327 C 0 0 2 0 0 0 0 0 0 1.3268 -0.2336 1.1349 C 0 0 2 0 0 0 0 0 0 2.3795 0.7739 0.6712 C 0 0 1 0 0 0 0 0 0 2.3036 0.7275 -0.8525 C 0 0 2 0 0 0 0 0 0 1.7034 1.8996 -0.0937 C 0 0 1 0 0 0 0 0 0 1.2320 -0.3247 -1.1169 C 0 0 1 0 0 0 0 0 0 1.6986 -1.6599 -0.6302 C 0 0 0 0 0 0 0 0 0 1.7161 -1.6906 0.8667 C 0 0 0 0 0 0 0 0 0 2.0236 -2.6010 -1.3918 N 0 0 0 0 0 0 0 0 0 2.4127 -3.7426 -1.0172 N 0 0 0 0 0 0 0 0 0 2.7551 -4.6896 -1.9248 C 0 0 0 0 0 0 0 0 0 2.6832 -4.4788 -3.1104 O 0 0 0 0 0 0 0 0 0 3.1879 -5.9004 -1.5107 N 0 0 0 0 0 0 0 0 0 -0.3107 1.9788 -0.8990 H 0 0 0 0 0 0 0 0 0 -0.2276 2.0406 0.8848 H 0 0 0 0 0 0 0 0 0 -0.6184 -0.4213 0.0952 H 0 0 0 0 0 0 0 0 0 0.9761 -0.0452 2.1393 H 0 0 0 0 0 0 0 0 0 3.3686 0.8853 1.0913 H 0 0 0 0 0 0 0 0 0 3.2553 0.7913 -1.3598 H 0 0 0 0 0 0 0 0 0 2.1770 2.8688 -0.1496 H 0 0 0 0 0 0 0 0 0 0.7855 -0.2980 -2.1002 H 0 0 0 0 0 0 0 0 0 2.6896 -1.9326 1.2667 H 0 0 0 0 0 0 0 0 0 0.9585 -2.3681 1.2332 H 0 0 0 0 0 0 0 0 0 2.4752 -3.9703 -0.0782 H 0 0 0 0 0 0 0 0 0 3.4223 -6.5666 -2.1733 H 0 0 0 0 0 0 0 0 0 3.2637 -6.1023 -0.5674 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 7 1 6 0 0 0 2 3 1 1 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 6 0 0 0 3 18 1 1 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 4 19 1 1 0 0 0 5 7 1 0 0 0 0 5 6 1 1 0 0 0 5 20 1 6 0 0 0 6 21 1 1 0 0 0 7 8 1 1 0 0 0 7 22 1 6 0 0 0 8 10 2 0 0 0 0 8 9 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 M END > 673912 > K $$$$ 674495 1016 111283D 674495 29 31 0 1 V2000 0.9892 -1.5166 0.0506 C 0 0 0 0 0 0 0 0 0 0.2577 -0.3339 -0.0097 C 0 0 0 0 0 0 0 0 0 0.9070 0.8948 -0.0547 C 0 0 0 0 0 0 0 0 0 2.2937 0.9112 -0.0372 C 0 0 0 0 0 0 0 0 0 3.0264 -0.2608 0.0249 C 0 0 0 0 0 0 0 0 0 2.3799 -1.4877 0.0687 C 0 0 0 0 0 0 0 0 0 3.3073 2.2759 -0.0850 S 0 0 0 0 0 0 0 0 0 4.6754 1.2465 -0.0174 C 0 0 0 0 0 0 0 0 0 4.3598 -0.0672 0.0366 N 0 0 0 0 0 0 0 0 0 6.0902 1.7531 -0.0182 C 0 0 0 0 0 0 0 0 0 6.3509 3.1168 -0.0787 C 0 0 0 0 0 0 0 0 0 7.6580 3.5915 -0.0797 C 0 0 0 0 0 0 0 0 0 8.7198 2.6917 -0.0136 C 0 0 0 0 0 0 0 0 0 8.4574 1.3280 0.0445 C 0 0 0 0 0 0 0 0 0 7.1509 0.8585 0.0419 C 0 0 0 0 0 0 0 0 0 10.0165 3.1080 -0.0044 N 0 0 0 0 0 0 0 0 0 7.8969 5.0751 -0.1518 C 0 0 0 0 0 0 0 0 0 0.4868 -2.4387 0.0828 H 0 0 0 0 0 0 0 0 0 -0.7922 -0.3688 -0.0213 H 0 0 0 0 0 0 0 0 0 0.3628 1.7918 -0.1009 H 0 0 0 0 0 0 0 0 0 2.9350 -2.3779 0.1146 H 0 0 0 0 0 0 0 0 0 5.5519 3.7971 -0.1245 H 0 0 0 0 0 0 0 0 0 9.2535 0.6450 0.0911 H 0 0 0 0 0 0 0 0 0 6.9678 -0.1752 0.0854 H 0 0 0 0 0 0 0 0 0 10.7383 2.4605 0.0358 H 0 0 0 0 0 0 0 0 0 10.2397 4.0510 -0.0373 H 0 0 0 0 0 0 0 0 0 8.3535 5.4084 0.7686 H 0 0 0 0 0 0 0 0 0 8.5536 5.2977 -0.9800 H 0 0 0 0 0 0 0 0 0 6.9697 5.6109 -0.2950 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END > 674495 > K $$$$ 675593 1016 111283D 675593 88 90 0 2 V2000 40.6716 39.3508 51.2853 N 0 0 0 0 0 0 0 0 0 41.2057 38.1393 51.5276 C 0 0 0 0 0 0 0 0 0 42.3467 37.7894 50.8990 N 0 0 0 0 0 0 0 0 0 42.9377 38.6009 49.9918 C 0 0 0 0 0 0 0 0 0 42.2544 39.7365 49.5578 C 0 0 0 0 0 0 0 0 0 41.1705 40.1565 50.3216 C 0 0 0 0 0 0 0 0 0 40.3745 41.7407 50.1074 S 0 0 0 0 0 0 0 0 0 42.6162 40.4065 48.4314 N 0 3 0 0 0 0 0 0 0 43.4307 39.9128 47.6241 O 0 0 0 0 0 0 0 0 0 42.0621 41.7152 48.1155 O 0 5 0 0 0 0 0 0 0 46.1170 38.9533 48.1229 C 0 0 0 0 0 0 0 0 0 45.2657 39.1851 49.3799 C 0 0 0 0 0 0 0 0 0 44.1909 38.2263 49.5688 N 0 0 0 0 0 0 0 0 0 44.4646 36.8304 49.3237 C 0 0 0 0 0 0 0 0 0 45.4501 36.5899 48.1691 C 0 0 0 0 0 0 0 0 0 50.2922 36.3656 47.1752 N 0 0 0 0 0 0 0 0 0 49.7482 37.4334 46.5585 C 0 0 0 0 0 0 0 0 0 48.5195 37.8488 46.9301 N 0 0 0 0 0 0 0 0 0 47.8252 37.2133 47.9025 C 0 0 0 0 0 0 0 0 0 48.4632 36.2454 48.6757 C 0 0 0 0 0 0 0 0 0 49.7010 35.7847 48.2446 C 0 0 0 0 0 0 0 0 0 50.5423 34.4412 49.0711 S 0 0 0 0 0 0 0 0 0 46.5102 37.5709 48.0648 N 0 0 0 0 0 0 0 0 0 47.8998 35.7695 49.8156 N 0 3 0 0 0 0 0 0 0 46.9937 36.4096 50.3843 O 0 0 0 0 0 0 0 0 0 48.3309 34.5153 50.4170 O 0 5 0 0 0 0 0 0 0 50.5038 38.1404 45.4763 C 0 0 0 0 0 0 0 0 0 40.5365 37.2058 52.4850 C 0 0 0 0 0 0 0 0 0 41.5061 42.8903 50.8896 C 0 0 0 0 0 0 0 0 0 42.8472 42.3075 51.4436 S 0 0 0 0 0 0 0 0 0 51.6025 33.5749 47.9155 C 0 0 0 0 0 0 0 0 0 51.5561 33.9673 46.4030 S 0 0 0 0 0 0 0 0 0 41.2240 44.2286 51.0084 N 0 0 0 0 0 0 0 0 0 39.9617 44.7713 50.5633 C 0 0 0 0 0 0 0 0 0 40.1472 45.5165 49.2408 C 0 0 0 0 0 0 0 0 0 38.8514 46.1864 48.7873 C 0 0 0 0 0 0 0 0 0 42.1872 45.1410 51.5835 C 0 0 0 0 0 0 0 0 0 42.2233 45.0519 53.1115 C 0 0 0 0 0 0 0 0 0 40.8821 45.4097 53.7486 C 0 0 0 0 0 0 0 0 0 52.4385 32.5820 48.3604 N 0 0 0 0 0 0 0 0 0 53.3973 31.9487 47.4856 C 0 0 0 0 0 0 0 0 0 54.5853 32.8866 47.2596 C 0 0 0 0 0 0 0 0 0 55.6956 32.2093 46.4592 C 0 0 0 0 0 0 0 0 0 52.3790 32.1366 49.7322 C 0 0 0 0 0 0 0 0 0 51.3784 30.9820 49.8019 C 0 0 0 0 0 0 0 0 0 51.2160 30.4390 51.2191 C 0 0 0 0 0 0 0 0 0 45.5515 39.1955 47.2352 H 0 0 0 0 0 0 0 0 0 46.9783 39.6069 48.1631 H 0 0 0 0 0 0 0 0 0 45.9257 39.0814 50.2298 H 0 0 0 0 0 0 0 0 0 44.9159 40.2076 49.3771 H 0 0 0 0 0 0 0 0 0 44.8445 36.3988 50.2365 H 0 0 0 0 0 0 0 0 0 43.5519 36.3032 49.0796 H 0 0 0 0 0 0 0 0 0 45.8280 35.5791 48.2343 H 0 0 0 0 0 0 0 0 0 44.8844 36.6606 47.2499 H 0 0 0 0 0 0 0 0 0 49.9081 38.1687 44.5768 H 0 0 0 0 0 0 0 0 0 50.7242 39.1479 45.7967 H 0 0 0 0 0 0 0 0 0 51.4296 37.6198 45.2792 H 0 0 0 0 0 0 0 0 0 39.5891 36.8982 52.0672 H 0 0 0 0 0 0 0 0 0 41.1576 36.3372 52.6447 H 0 0 0 0 0 0 0 0 0 40.3686 37.7133 53.4225 H 0 0 0 0 0 0 0 0 0 39.2148 44.0020 50.4337 H 0 0 0 0 0 0 0 0 0 39.5861 45.4663 51.3009 H 0 0 0 0 0 0 0 0 0 40.9012 46.2813 49.3558 H 0 0 0 0 0 0 0 0 0 40.4778 44.8178 48.4854 H 0 0 0 0 0 0 0 0 0 38.5413 46.9201 49.5180 H 0 0 0 0 0 0 0 0 0 39.0149 46.6809 47.8410 H 0 0 0 0 0 0 0 0 0 38.0740 45.4459 48.6708 H 0 0 0 0 0 0 0 0 0 43.1720 44.9291 51.1905 H 0 0 0 0 0 0 0 0 0 41.9543 46.1622 51.3168 H 0 0 0 0 0 0 0 0 0 42.4943 44.0526 53.4168 H 0 0 0 0 0 0 0 0 0 42.9750 45.7366 53.4772 H 0 0 0 0 0 0 0 0 0 40.1335 44.6872 53.4576 H 0 0 0 0 0 0 0 0 0 40.9789 45.3987 54.8241 H 0 0 0 0 0 0 0 0 0 40.5735 46.3953 53.4307 H 0 0 0 0 0 0 0 0 0 53.7632 31.0338 47.9319 H 0 0 0 0 0 0 0 0 0 52.9425 31.6916 46.5394 H 0 0 0 0 0 0 0 0 0 54.2545 33.7642 46.7239 H 0 0 0 0 0 0 0 0 0 54.9813 33.1967 48.2158 H 0 0 0 0 0 0 0 0 0 56.4881 32.9192 46.2715 H 0 0 0 0 0 0 0 0 0 56.0946 31.3763 47.0200 H 0 0 0 0 0 0 0 0 0 55.3082 31.8540 45.5156 H 0 0 0 0 0 0 0 0 0 53.3487 31.7907 50.0620 H 0 0 0 0 0 0 0 0 0 52.0728 32.9264 50.4035 H 0 0 0 0 0 0 0 0 0 50.4176 31.3271 49.4479 H 0 0 0 0 0 0 0 0 0 51.7172 30.1835 49.1572 H 0 0 0 0 0 0 0 0 0 50.5059 29.6246 51.2095 H 0 0 0 0 0 0 0 0 0 52.1641 30.0770 51.5889 H 0 0 0 0 0 0 0 0 0 50.8484 31.2186 51.8707 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 4 13 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 11 23 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 23 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 19 23 1 0 0 0 0 19 20 1 0 0 0 0 20 24 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 31 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 31 32 2 0 0 0 0 31 40 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 39 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 41 1 0 0 0 0 40 44 1 0 0 0 0 41 42 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 43 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 45 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 45 46 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 M CHG 4 8 1 10 -1 24 1 26 -1 M END > 675593 > K $$$$ 676561 1016 111283D 676561 30 31 0 1 V2000 -1.5240 2.0047 2.6872 C 0 0 0 0 0 0 0 0 0 -1.3485 1.6453 4.0217 C 0 0 0 0 0 0 0 0 0 -0.2025 0.9417 4.3720 C 0 0 0 0 0 0 0 0 0 0.7531 0.6079 3.4219 C 0 0 0 0 0 0 0 0 0 0.5719 0.9769 2.0973 C 0 0 0 0 0 0 0 0 0 -0.5708 1.6748 1.7315 C 0 0 0 0 0 0 0 0 0 0.0792 0.4491 6.0566 S 0 0 0 0 0 0 0 0 0 0.4392 -0.9311 5.9598 O 0 0 0 0 0 0 0 0 0 -2.2302 1.9369 5.0251 O 0 0 0 0 0 0 0 0 0 -3.4207 2.6312 4.7042 C 0 0 0 0 0 0 0 0 0 1.5447 1.1468 6.2970 N 0 0 0 0 0 0 0 0 0 1.6722 2.4761 6.5574 C 0 0 0 0 0 0 0 0 0 0.5618 3.2913 6.7538 C 0 0 0 0 0 0 0 0 0 0.7218 4.6482 7.0005 C 0 0 0 0 0 0 0 0 0 1.9958 5.1972 7.0566 C 0 0 0 0 0 0 0 0 0 3.1083 4.3865 6.8737 C 0 0 0 0 0 0 0 0 0 2.9449 3.0296 6.6278 C 0 0 0 0 0 0 0 0 0 -2.3800 2.5305 2.3871 H 0 0 0 0 0 0 0 0 0 1.6121 0.0761 3.7104 H 0 0 0 0 0 0 0 0 0 1.2962 0.7279 1.3783 H 0 0 0 0 0 0 0 0 0 -0.7137 1.9539 0.7291 H 0 0 0 0 0 0 0 0 0 -4.0030 2.7489 5.6064 H 0 0 0 0 0 0 0 0 0 -3.1953 3.6128 4.3120 H 0 0 0 0 0 0 0 0 0 -4.0109 2.0760 3.9884 H 0 0 0 0 0 0 0 0 0 2.3289 0.5787 6.2422 H 0 0 0 0 0 0 0 0 0 -0.4074 2.8888 6.7178 H 0 0 0 0 0 0 0 0 0 -0.1221 5.2570 7.1441 H 0 0 0 0 0 0 0 0 0 2.1173 6.2244 7.2379 H 0 0 0 0 0 0 0 0 0 4.0732 4.7983 6.9205 H 0 0 0 0 0 0 0 0 0 3.7881 2.4184 6.4931 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END > 676561 > K $$$$ 677392 1016 111283D 677392 97102 1 1 V2000 -13.2388 8.2436 -35.1962 C 0 0 0 0 0 0 0 0 0 -12.4303 7.7424 -35.9411 O 0 0 0 0 0 0 0 0 0 -14.7005 7.9953 -35.4148 C 0 0 0 0 0 0 0 0 0 -7.3400 3.7088 -18.3607 C 0 0 0 0 0 0 0 0 0 -7.5564 2.7713 -17.6311 O 0 0 0 0 0 0 0 0 0 -6.9041 4.9908 -17.7255 C 0 0 0 0 0 0 0 0 0 -12.7552 9.0142 -34.1893 N 0 0 0 0 0 0 0 0 0 -11.5300 9.1671 -33.9920 N 0 0 0 0 0 0 0 0 0 -11.3181 9.9053 -33.0050 C 0 0 0 0 0 0 0 0 0 -12.5609 10.3884 -32.3126 C 0 0 1 0 0 0 0 0 0 -13.4773 9.7066 -33.2813 C 0 0 0 0 0 0 0 0 0 -7.5086 3.5285 -19.7011 N 0 0 0 0 0 0 0 0 0 -7.2927 4.4249 -20.6937 C 0 0 0 0 0 0 0 0 0 -7.6508 3.8309 -22.0228 C 0 0 1 0 0 0 0 0 0 -8.0173 2.5005 -21.4273 C 0 0 0 0 0 0 0 0 0 -7.9083 2.4432 -20.1815 N 0 0 0 0 0 0 0 0 0 -14.6848 9.7585 -33.2712 O 0 0 0 0 0 0 0 0 0 -6.8687 5.5458 -20.5380 O 0 0 0 0 0 0 0 0 0 -12.5945 9.8908 -30.9668 N 0 0 0 0 0 0 0 0 0 -8.7570 4.4129 -22.7392 N 0 0 0 0 0 0 0 0 0 -13.4938 9.9945 -30.3360 N 0 0 0 0 0 0 0 0 0 -9.2515 5.3454 -22.4082 N 0 0 0 0 0 0 0 0 0 -13.5795 9.4812 -29.0778 C 0 0 0 0 0 0 0 0 0 -12.4865 8.9135 -28.4299 C 0 0 0 0 0 0 0 0 0 -12.6174 8.3962 -27.1463 C 0 0 0 0 0 0 0 0 0 -13.8474 8.4390 -26.5005 C 0 0 0 0 0 0 0 0 0 -14.9376 9.0110 -27.1447 C 0 0 0 0 0 0 0 0 0 -14.8046 9.5306 -28.4259 C 0 0 0 0 0 0 0 0 0 -10.3520 5.8784 -23.0090 C 0 0 0 0 0 0 0 0 0 -10.9628 6.9711 -22.4070 C 0 0 0 0 0 0 0 0 0 -12.0940 7.5456 -22.9730 C 0 0 0 0 0 0 0 0 0 -12.6242 7.0324 -24.1500 C 0 0 0 0 0 0 0 0 0 -12.0124 5.9443 -24.7604 C 0 0 0 0 0 0 0 0 0 -10.8801 5.3714 -24.1926 C 0 0 0 0 0 0 0 0 0 -14.0863 7.7801 -24.8551 S 0 0 0 0 0 0 0 0 0 -14.5135 8.8456 -24.0027 O 0 0 0 0 0 0 0 0 0 -15.1224 6.7967 -24.9064 O 0 0 0 0 0 0 0 0 0 -8.4784 1.3227 -22.2298 C 0 0 0 0 0 0 0 0 0 -9.9270 10.2543 -32.5773 C 0 0 0 0 0 0 0 0 0 -14.7978 7.0086 -36.5398 C 0 0 0 0 0 0 0 0 0 -15.3293 5.9453 -36.3323 O 0 0 0 0 0 0 0 0 0 -13.9609 8.4630 -38.2814 C 0 0 0 0 0 0 0 0 0 -14.7611 9.5939 -38.1465 C 0 0 0 0 0 0 0 0 0 -14.3340 10.8183 -38.6472 C 0 0 0 0 0 0 0 0 0 -13.1128 10.9321 -39.2987 C 0 0 0 0 0 0 0 0 0 -12.3274 9.7933 -39.4539 C 0 0 0 0 0 0 0 0 0 -12.7508 8.5708 -38.9515 C 0 0 0 0 0 0 0 0 0 -5.5075 4.7425 -17.2343 C 0 0 0 0 0 0 0 0 0 -5.3748 4.0024 -16.2909 O 0 0 0 0 0 0 0 0 0 -4.2168 6.2957 -18.6199 C 0 0 0 0 0 0 0 0 0 -5.0923 7.3764 -18.6812 C 0 0 0 0 0 0 0 0 0 -4.9308 8.3603 -19.6478 C 0 0 0 0 0 0 0 0 0 -3.8709 8.2943 -20.5436 C 0 0 0 0 0 0 0 0 0 -2.9578 7.2546 -20.4448 C 0 0 0 0 0 0 0 0 0 -3.1326 6.2627 -19.4890 C 0 0 0 0 0 0 0 0 0 -14.3062 7.2393 -37.7878 N 0 0 0 0 0 0 0 0 0 -4.3538 5.2559 -17.7458 N 0 0 0 0 0 0 0 0 0 -12.7687 12.1746 -39.7483 O 0 0 0 0 0 0 0 0 0 -11.4439 12.3694 -40.2067 C 0 0 0 0 0 0 0 0 0 -3.7071 9.2307 -21.5163 O 0 0 0 0 0 0 0 0 0 -4.7924 9.2779 -22.4238 C 0 0 0 0 0 0 0 0 0 -15.1333 7.5625 -34.5263 H 0 0 0 0 0 0 0 0 0 -15.2127 8.9155 -35.6438 H 0 0 0 0 0 0 0 0 0 -6.9919 5.7990 -18.4243 H 0 0 0 0 0 0 0 0 0 -7.5423 5.1905 -16.8786 H 0 0 0 0 0 0 0 0 0 -12.6680 11.4606 -32.3656 H 0 0 0 0 0 0 0 0 0 -6.7742 3.7542 -22.6459 H 0 0 0 0 0 0 0 0 0 -11.5555 8.8761 -28.9146 H 0 0 0 0 0 0 0 0 0 -11.7833 7.9739 -26.6693 H 0 0 0 0 0 0 0 0 0 -15.8685 9.0502 -26.6589 H 0 0 0 0 0 0 0 0 0 -15.6331 9.9627 -28.9060 H 0 0 0 0 0 0 0 0 0 -10.5658 7.3637 -21.5172 H 0 0 0 0 0 0 0 0 0 -12.5510 8.3705 -22.5095 H 0 0 0 0 0 0 0 0 0 -12.4075 5.5544 -25.6522 H 0 0 0 0 0 0 0 0 0 -10.4208 4.5509 -24.6603 H 0 0 0 0 0 0 0 0 0 -8.5761 0.4624 -21.5829 H 0 0 0 0 0 0 0 0 0 -9.4388 1.5436 -22.6713 H 0 0 0 0 0 0 0 0 0 -7.7610 1.1038 -23.0063 H 0 0 0 0 0 0 0 0 0 -9.2419 10.0441 -33.3862 H 0 0 0 0 0 0 0 0 0 -9.8712 11.3013 -32.3214 H 0 0 0 0 0 0 0 0 0 -9.6600 9.6522 -31.7215 H 0 0 0 0 0 0 0 0 0 -15.6941 9.5315 -37.6694 H 0 0 0 0 0 0 0 0 0 -14.9354 11.6724 -38.5359 H 0 0 0 0 0 0 0 0 0 -11.4062 9.8442 -39.9515 H 0 0 0 0 0 0 0 0 0 -12.1507 7.7185 -39.0746 H 0 0 0 0 0 0 0 0 0 -5.8832 7.4647 -17.9983 H 0 0 0 0 0 0 0 0 0 -5.6104 9.1586 -19.7029 H 0 0 0 0 0 0 0 0 0 -2.1372 7.2213 -21.0981 H 0 0 0 0 0 0 0 0 0 -2.4395 5.4767 -19.4245 H 0 0 0 0 0 0 0 0 0 -14.1897 6.4623 -38.3561 H 0 0 0 0 0 0 0 0 0 -3.5441 4.8142 -17.4439 H 0 0 0 0 0 0 0 0 0 -10.7277 12.0550 -39.4598 H 0 0 0 0 0 0 0 0 0 -11.2800 11.8225 -41.1242 H 0 0 0 0 0 0 0 0 0 -11.2918 13.4208 -40.4013 H 0 0 0 0 0 0 0 0 0 -4.4985 9.8623 -23.2833 H 0 0 0 0 0 0 0 0 0 -5.0564 8.2852 -22.7644 H 0 0 0 0 0 0 0 0 0 -5.6556 9.7425 -21.9700 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 3 1 0 0 0 0 3 40 1 0 0 0 0 3 62 1 0 0 0 0 3 63 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 4 6 1 0 0 0 0 6 48 1 0 0 0 0 6 64 1 0 0 0 0 6 65 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 19 1 6 0 0 0 10 11 1 0 0 0 0 10 66 1 1 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 12 13 1 0 0 0 0 13 18 2 0 0 0 0 13 14 1 0 0 0 0 14 20 1 1 0 0 0 14 15 1 6 0 0 0 14 67 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 22 29 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 68 1 0 0 0 0 25 26 2 0 0 0 0 25 69 1 0 0 0 0 26 35 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 31 32 2 0 0 0 0 31 73 1 0 0 0 0 32 35 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 41 2 0 0 0 0 40 56 1 0 0 0 0 42 56 1 0 0 0 0 42 43 2 0 0 0 0 42 47 1 0 0 0 0 43 44 1 0 0 0 0 43 82 1 0 0 0 0 44 45 2 0 0 0 0 44 83 1 0 0 0 0 45 58 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 84 1 0 0 0 0 47 85 1 0 0 0 0 48 49 2 0 0 0 0 48 57 1 0 0 0 0 50 57 1 0 0 0 0 50 51 2 0 0 0 0 50 55 1 0 0 0 0 51 52 1 0 0 0 0 51 86 1 0 0 0 0 52 53 2 0 0 0 0 52 87 1 0 0 0 0 53 60 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 88 1 0 0 0 0 55 89 1 0 0 0 0 56 90 1 0 0 0 0 57 91 1 0 0 0 0 58 59 1 0 0 0 0 59 92 1 0 0 0 0 59 93 1 0 0 0 0 59 94 1 0 0 0 0 60 61 1 0 0 0 0 61 95 1 0 0 0 0 61 96 1 0 0 0 0 61 97 1 0 0 0 0 M END > 677392 > K $$$$ 678917 1016 111283D 678917 48 50 0 1 V2000 5.9804 -4.5895 3.2819 C 0 0 0 0 0 0 0 0 0 7.0302 -4.5510 2.3745 C 0 0 0 0 0 0 0 0 0 7.0611 -3.5964 1.3617 C 0 0 0 0 0 0 0 0 0 6.0192 -2.6783 1.2756 C 0 0 0 0 0 0 0 0 0 4.9697 -2.7144 2.1918 C 0 0 0 0 0 0 0 0 0 4.9362 -3.6729 3.2017 C 0 0 0 0 0 0 0 0 0 6.0121 -1.7353 0.2965 N 0 0 0 0 0 0 0 0 0 5.0267 -0.8099 0.1829 C 0 0 0 0 0 0 0 0 0 3.9935 -0.8430 1.1169 C 0 0 0 0 0 0 0 0 0 3.9802 -1.7946 2.0796 N 0 0 0 0 0 0 0 0 0 5.0206 0.1585 -0.8204 C 0 0 0 0 0 0 0 0 0 4.0102 1.1122 -0.8475 C 0 0 0 0 0 0 0 0 0 2.9861 1.0806 0.0890 C 0 0 0 0 0 0 0 0 0 2.9734 0.0962 1.0675 C 0 0 0 0 0 0 0 0 0 6.0689 0.2341 -1.8993 C 0 0 0 0 0 0 0 0 0 6.4582 1.3207 -2.2542 O 0 0 0 0 0 0 0 0 0 3.8755 -3.6681 4.0669 O 0 0 0 0 0 0 0 0 0 3.9113 -4.4954 5.2160 C 0 0 0 0 0 0 0 0 0 8.0641 -3.5045 0.4373 O 0 0 0 0 0 0 0 0 0 9.0612 -4.5069 0.3934 C 0 0 0 0 0 0 0 0 0 5.9809 -2.1359 -2.5412 C 0 0 0 0 0 0 0 0 0 5.9425 -2.6130 -3.9914 C 0 0 0 0 0 0 0 0 0 6.6130 -0.8439 -2.5192 N 0 0 0 0 0 0 0 0 0 5.5397 -1.5409 -4.9032 N 0 0 0 0 0 0 0 0 0 5.8909 -1.7856 -6.2961 C 0 0 0 0 0 0 0 0 0 4.2042 -0.9781 -4.7216 C 0 0 0 0 0 0 0 0 0 5.9863 -5.3237 4.0315 H 0 0 0 0 0 0 0 0 0 7.8021 -5.2554 2.4658 H 0 0 0 0 0 0 0 0 0 4.0196 1.8610 -1.5851 H 0 0 0 0 0 0 0 0 0 2.2221 1.8005 0.0557 H 0 0 0 0 0 0 0 0 0 2.1955 0.0595 1.7719 H 0 0 0 0 0 0 0 0 0 4.7972 -4.3027 5.8053 H 0 0 0 0 0 0 0 0 0 3.0468 -4.2768 5.8261 H 0 0 0 0 0 0 0 0 0 3.8755 -5.5391 4.9380 H 0 0 0 0 0 0 0 0 0 9.7019 -4.3096 -0.4536 H 0 0 0 0 0 0 0 0 0 9.6642 -4.4889 1.2902 H 0 0 0 0 0 0 0 0 0 8.6178 -5.4844 0.2654 H 0 0 0 0 0 0 0 0 0 4.9623 -2.0763 -2.1865 H 0 0 0 0 0 0 0 0 0 6.5198 -2.8458 -1.9288 H 0 0 0 0 0 0 0 0 0 6.9446 -2.9317 -4.2424 H 0 0 0 0 0 0 0 0 0 5.2789 -3.4611 -4.0807 H 0 0 0 0 0 0 0 0 0 7.4604 -0.7225 -2.9757 H 0 0 0 0 0 0 0 0 0 6.9362 -2.0492 -6.3723 H 0 0 0 0 0 0 0 0 0 5.2900 -2.5901 -6.6947 H 0 0 0 0 0 0 0 0 0 5.7263 -0.8918 -6.8808 H 0 0 0 0 0 0 0 0 0 4.0689 -0.1326 -5.3813 H 0 0 0 0 0 0 0 0 0 3.4514 -1.7210 -4.9412 H 0 0 0 0 0 0 0 0 0 4.0696 -0.6267 -3.7095 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 19 1 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 4 5 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 11 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END > 678917 > K $$$$ 678932 1016 111283D 678932 42 44 0 1 V2000 11.7746 -7.9313 -5.0766 C 0 0 0 0 0 0 0 0 0 11.7052 -7.7415 -6.4436 C 0 0 0 0 0 0 0 0 0 11.8294 -8.8199 -7.3144 C 0 0 0 0 0 0 0 0 0 12.0010 -10.0835 -6.7520 C 0 0 0 0 0 0 0 0 0 12.0642 -10.2686 -5.3737 C 0 0 0 0 0 0 0 0 0 11.9530 -9.1841 -4.5127 C 0 0 0 0 0 0 0 0 0 11.4838 -5.8209 -5.4528 C 0 0 0 0 0 0 0 0 0 11.5100 -6.4246 -6.6661 N 0 0 0 0 0 0 0 0 0 11.3056 -4.3439 -5.2217 C 0 0 0 0 0 0 0 0 0 11.0172 -3.5046 -6.2905 C 0 0 0 0 0 0 0 0 0 10.8517 -2.1445 -6.0676 C 0 0 0 0 0 0 0 0 0 10.9750 -1.6474 -4.8150 N 0 0 0 0 0 0 0 0 0 11.2572 -2.4411 -3.7566 C 0 0 0 0 0 0 0 0 0 11.4266 -3.8056 -3.9453 C 0 0 0 0 0 0 0 0 0 11.6415 -6.7416 -4.4811 N 0 0 0 0 0 0 0 0 0 11.7869 -8.7302 -8.8203 C 0 0 0 0 0 0 0 0 0 11.4912 -9.7324 -9.4250 O 0 0 0 0 0 0 0 0 0 12.8160 -6.5005 -9.2019 C 0 0 0 0 0 0 0 0 0 13.7460 -6.1350 -10.3600 C 0 0 0 0 0 0 0 0 0 14.8126 -5.2064 -9.9868 N 0 0 0 0 0 0 0 0 0 15.9029 -5.1910 -10.9589 C 0 0 0 0 0 0 0 0 0 14.3776 -3.8648 -9.6091 C 0 0 0 0 0 0 0 0 0 12.0458 -7.6482 -9.6028 N 0 0 0 0 0 0 0 0 0 12.0873 -10.9203 -7.3819 H 0 0 0 0 0 0 0 0 0 12.1970 -11.2343 -4.9820 H 0 0 0 0 0 0 0 0 0 12.0012 -9.3059 -3.4708 H 0 0 0 0 0 0 0 0 0 10.9234 -3.8935 -7.2613 H 0 0 0 0 0 0 0 0 0 10.6312 -1.4998 -6.8671 H 0 0 0 0 0 0 0 0 0 11.3475 -2.0239 -2.7963 H 0 0 0 0 0 0 0 0 0 11.6456 -4.4178 -3.1218 H 0 0 0 0 0 0 0 0 0 11.6557 -6.5798 -3.5257 H 0 0 0 0 0 0 0 0 0 13.4266 -6.7239 -8.3386 H 0 0 0 0 0 0 0 0 0 12.1649 -5.6672 -8.9784 H 0 0 0 0 0 0 0 0 0 14.1959 -7.0608 -10.6912 H 0 0 0 0 0 0 0 0 0 13.1630 -5.7325 -11.1772 H 0 0 0 0 0 0 0 0 0 16.7249 -4.5951 -10.5891 H 0 0 0 0 0 0 0 0 0 16.2667 -6.1951 -11.1264 H 0 0 0 0 0 0 0 0 0 15.5643 -4.7806 -11.9000 H 0 0 0 0 0 0 0 0 0 15.2262 -3.2871 -9.2708 H 0 0 0 0 0 0 0 0 0 13.9271 -3.3628 -10.4540 H 0 0 0 0 0 0 0 0 0 13.6622 -3.9111 -8.8014 H 0 0 0 0 0 0 0 0 0 11.6836 -7.6735 -10.5029 H 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 2 3 1 0 0 0 0 3 16 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 18 23 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > 678932 > K $$$$ 679524 1016 111283D 679524 58 62 0 1 V2000 -5.2812 4.1349 17.1926 C 0 0 0 0 0 0 0 0 0 -4.8696 2.8862 17.6286 C 0 0 0 0 0 0 0 0 0 -5.7503 1.7592 17.5351 C 0 0 0 0 0 0 0 0 0 -7.1168 1.9435 16.9668 C 0 0 0 0 0 0 0 0 0 -7.5265 3.2872 16.5116 C 0 0 0 0 0 0 0 0 0 -6.6296 4.3477 16.6259 C 0 0 0 0 0 0 0 0 0 -4.1945 5.0160 17.4229 C 0 0 0 0 0 0 0 0 0 -3.1731 4.2742 17.9875 C 0 0 0 0 0 0 0 0 0 -8.6790 3.7574 15.9635 N 0 0 0 0 0 0 0 0 0 -8.5371 5.0916 15.7249 C 0 0 0 0 0 0 0 0 0 -7.2756 5.4849 16.1243 C 0 0 0 0 0 0 0 0 0 -4.1633 6.4596 17.1229 C 0 0 0 0 0 0 0 0 0 -4.6494 6.8736 16.0877 O 0 0 0 0 0 0 0 0 0 -3.5856 7.3187 17.9923 O 0 0 0 0 0 0 0 0 0 -3.5619 8.7305 17.6943 C 0 0 0 0 0 0 0 0 0 -3.5794 2.9936 18.1029 N 0 0 0 0 0 0 0 0 0 -5.3783 0.6665 17.9201 O 0 0 0 0 0 0 0 0 0 -7.8777 1.0020 16.8799 O 0 0 0 0 0 0 0 0 0 -9.5652 5.9792 15.1315 C 0 0 0 0 0 0 0 0 0 -9.4734 7.1841 15.2661 O 0 0 0 0 0 0 0 0 0 -10.5998 5.4486 14.4429 O 0 0 0 0 0 0 0 0 0 -11.6650 6.3054 13.9804 C 0 0 0 0 0 0 0 0 0 -12.7175 5.4748 13.2923 C 0 0 0 0 0 0 0 0 0 -12.5965 5.1825 11.9433 C 0 0 0 0 0 0 0 0 0 -13.5657 4.4212 11.3112 C 0 0 0 0 0 0 0 0 0 -14.6512 3.9463 12.0288 C 0 0 0 0 0 0 0 0 0 -14.7695 4.2354 13.3788 C 0 0 0 0 0 0 0 0 0 -13.7990 4.9923 14.0127 C 0 0 0 0 0 0 0 0 0 -10.2390 2.7211 13.8905 C 0 0 0 0 0 0 0 0 0 -11.3105 2.0091 13.3770 C 0 0 0 0 0 0 0 0 0 -11.4749 1.9049 12.0071 C 0 0 0 0 0 0 0 0 0 -10.5700 2.5140 11.1526 C 0 0 0 0 0 0 0 0 0 -9.4998 3.2279 11.6686 C 0 0 0 0 0 0 0 0 0 -9.3336 3.3314 13.0377 C 0 0 0 0 0 0 0 0 0 -10.7495 2.4002 9.6618 C 0 0 0 0 0 0 0 0 0 -10.0294 2.8600 15.6378 S 0 0 0 0 0 0 0 0 0 -9.8874 1.5605 16.2000 O 0 0 0 0 0 0 0 0 0 -11.1721 3.4946 16.1990 O 0 0 0 0 0 0 0 0 0 -2.2107 4.6482 18.2801 H 0 0 0 0 0 0 0 0 0 -6.8657 6.4747 16.0654 H 0 0 0 0 0 0 0 0 0 -3.0190 8.9021 16.7665 H 0 0 0 0 0 0 0 0 0 -4.5791 9.1050 17.5922 H 0 0 0 0 0 0 0 0 0 -3.0636 9.2638 18.5047 H 0 0 0 0 0 0 0 0 0 -3.0502 2.2684 18.4672 H 0 0 0 0 0 0 0 0 0 -12.1119 6.8197 14.8312 H 0 0 0 0 0 0 0 0 0 -11.2717 7.0414 13.2824 H 0 0 0 0 0 0 0 0 0 -11.7557 5.5514 11.3881 H 0 0 0 0 0 0 0 0 0 -13.4742 4.1976 10.2657 H 0 0 0 0 0 0 0 0 0 -15.4018 3.3566 11.5386 H 0 0 0 0 0 0 0 0 0 -15.6104 3.8678 13.9347 H 0 0 0 0 0 0 0 0 0 -13.8885 5.2143 15.0587 H 0 0 0 0 0 0 0 0 0 -12.0090 1.5378 14.0406 H 0 0 0 0 0 0 0 0 0 -12.3030 1.3529 11.6064 H 0 0 0 0 0 0 0 0 0 -8.7997 3.6985 11.0057 H 0 0 0 0 0 0 0 0 0 -8.5054 3.8820 13.4394 H 0 0 0 0 0 0 0 0 0 -11.3634 3.2255 9.3070 H 0 0 0 0 0 0 0 0 0 -9.7769 2.4362 9.1759 H 0 0 0 0 0 0 0 0 0 -11.2380 1.4570 9.4265 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 2 16 1 0 0 0 0 2 3 1 0 0 0 0 3 17 2 0 0 0 0 3 4 1 0 0 0 0 4 18 2 0 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 5 6 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 8 2 0 0 0 0 8 16 1 0 0 0 0 8 39 1 0 0 0 0 9 36 1 0 0 0 0 9 10 1 0 0 0 0 10 19 1 0 0 0 0 10 11 2 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 36 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 35 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 37 2 0 0 0 0 36 38 2 0 0 0 0 M END > 679524 > K $$$$ 679527 1016 111283D 679527 56 59 0 1 V2000 -3.4123 -3.1071 0.0665 C 0 0 0 0 0 0 0 0 0 -4.2236 -4.1966 -0.0935 C 0 0 0 0 0 0 0 0 0 -4.9440 -3.1408 1.7306 C 0 0 0 0 0 0 0 0 0 -3.8944 -2.4137 1.2742 C 0 0 0 0 0 0 0 0 0 -3.3420 -1.1714 1.8710 C 0 0 0 0 0 0 0 0 0 -3.1743 -0.9207 3.2029 C 0 0 0 0 0 0 0 0 0 -2.6463 0.3122 3.3509 N 0 0 0 0 0 0 0 0 0 -2.4662 0.8747 2.1068 C 0 0 0 0 0 0 0 0 0 -2.8901 -0.0395 1.1666 C 0 0 0 0 0 0 0 0 0 -1.9174 2.2051 1.8316 C 0 0 0 0 0 0 0 0 0 -2.1809 2.7672 0.7858 O 0 0 0 0 0 0 0 0 0 -1.1200 2.8064 2.7383 O 0 0 0 0 0 0 0 0 0 -0.6158 4.1447 2.4873 C 0 0 0 0 0 0 0 0 0 -2.8819 2.6869 4.7990 C 0 0 0 0 0 0 0 0 0 -4.0757 2.9869 4.1702 C 0 0 0 0 0 0 0 0 0 -4.5545 4.2838 4.1783 C 0 0 0 0 0 0 0 0 0 -3.8396 5.2805 4.8155 C 0 0 0 0 0 0 0 0 0 -2.6460 4.9803 5.4452 C 0 0 0 0 0 0 0 0 0 -2.1666 3.6840 5.4360 C 0 0 0 0 0 0 0 0 0 -4.3611 6.6944 4.8233 C 0 0 0 0 0 0 0 0 0 -2.2753 1.0327 4.7950 S 0 0 0 0 0 0 0 0 0 -2.8779 0.3046 5.8562 O 0 0 0 0 0 0 0 0 0 -0.8652 1.0449 4.9698 O 0 0 0 0 0 0 0 0 0 -5.1307 -4.2077 0.9006 N 0 0 0 0 0 0 0 0 0 -2.2848 -2.7114 -0.7888 C 0 0 0 0 0 0 0 0 0 -2.1158 -3.2562 -1.8623 O 0 0 0 0 0 0 0 0 0 -1.4380 -1.7443 -0.3831 O 0 0 0 0 0 0 0 0 0 -0.3239 -1.3533 -1.2282 C 0 0 0 0 0 0 0 0 0 0.4628 -0.2618 -0.5493 C 0 0 0 0 0 0 0 0 0 1.0438 -0.4931 0.6832 C 0 0 0 0 0 0 0 0 0 1.7655 0.5082 1.3060 C 0 0 0 0 0 0 0 0 0 1.9063 1.7404 0.6960 C 0 0 0 0 0 0 0 0 0 1.3259 1.9715 -0.5373 C 0 0 0 0 0 0 0 0 0 0.6080 0.9691 -1.1620 C 0 0 0 0 0 0 0 0 0 -4.1490 -4.9263 -0.8862 H 0 0 0 0 0 0 0 0 0 -5.5341 -2.9134 2.6060 H 0 0 0 0 0 0 0 0 0 -3.4234 -1.5982 4.0062 H 0 0 0 0 0 0 0 0 0 -2.8799 0.0890 0.0944 H 0 0 0 0 0 0 0 0 0 0.0059 4.4618 3.3246 H 0 0 0 0 0 0 0 0 0 -0.0215 4.1437 1.5735 H 0 0 0 0 0 0 0 0 0 -1.4531 4.8334 2.3752 H 0 0 0 0 0 0 0 0 0 -4.6343 2.2081 3.6723 H 0 0 0 0 0 0 0 0 0 -5.4869 4.5183 3.6863 H 0 0 0 0 0 0 0 0 0 -2.0870 5.7593 5.9425 H 0 0 0 0 0 0 0 0 0 -1.2338 3.4497 5.9273 H 0 0 0 0 0 0 0 0 0 -4.9956 6.8427 5.6971 H 0 0 0 0 0 0 0 0 0 -3.5231 7.3905 4.8604 H 0 0 0 0 0 0 0 0 0 -4.9417 6.8726 3.9183 H 0 0 0 0 0 0 0 0 0 -5.8211 -4.8800 1.0114 H 0 0 0 0 0 0 0 0 0 0.3222 -2.2143 -1.3991 H 0 0 0 0 0 0 0 0 0 -0.7028 -0.9881 -2.1828 H 0 0 0 0 0 0 0 0 0 0.9339 -1.4559 1.1599 H 0 0 0 0 0 0 0 0 0 2.2190 0.3277 2.2695 H 0 0 0 0 0 0 0 0 0 2.4695 2.5229 1.1828 H 0 0 0 0 0 0 0 0 0 1.4355 2.9344 -1.0139 H 0 0 0 0 0 0 0 0 0 0.1577 1.1483 -2.1271 H 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 24 1 0 0 0 0 2 35 1 0 0 0 0 3 24 1 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 21 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 21 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 34 2 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 M END > 679527 > K $$$$ 680506 1016 111283D 680506 45 46 1 1 V2000 -0.8227 -4.4561 -4.1613 C 0 0 0 0 0 0 0 0 0 0.0042 -5.3286 -3.4673 C 0 0 0 0 0 0 0 0 0 1.2353 -4.9001 -2.9824 C 0 0 0 0 0 0 0 0 0 1.6261 -3.5841 -3.2018 C 0 0 0 0 0 0 0 0 0 0.7983 -2.7109 -3.8960 C 0 0 0 0 0 0 0 0 0 -0.4322 -3.1398 -4.3808 C 0 0 0 0 0 0 0 0 0 1.4572 -6.3655 -0.9561 C 0 0 0 0 0 0 0 0 0 2.2857 -7.4269 -0.2900 C 0 0 0 0 0 0 0 0 0 3.2692 -8.2306 -1.0932 C 0 0 0 0 0 0 0 0 0 3.4063 -8.0314 -2.4135 C 0 0 0 0 0 0 0 0 0 2.5655 -7.0089 -3.1336 C 0 0 0 0 0 0 0 0 0 2.1367 -5.8475 -2.2293 C 0 0 1 0 0 0 0 0 0 -1.3259 -2.1853 -5.1338 C 0 0 0 0 0 0 0 0 0 2.1584 -7.6479 0.9347 N 0 0 0 0 0 0 0 0 0 1.1980 -6.9472 1.6960 O 0 0 0 0 0 0 0 0 0 1.2525 -7.3973 3.0327 C 0 0 0 0 0 0 0 0 0 0.7724 -8.8080 3.2142 C 0 0 0 0 0 0 0 0 0 0.9966 -9.4434 4.3906 O 0 0 0 0 0 0 0 0 0 0.1722 -9.4048 2.3092 O 0 0 0 0 0 0 0 0 0 4.4028 -8.8304 -3.2060 C 0 0 0 0 0 0 0 0 0 -1.5437 -2.6644 -6.5704 C 0 0 0 0 0 0 0 0 0 -2.6606 -1.9938 -4.4102 C 0 0 0 0 0 0 0 0 0 -1.7480 -4.7993 -4.5202 H 0 0 0 0 0 0 0 0 0 -0.3103 -6.3184 -3.3116 H 0 0 0 0 0 0 0 0 0 2.5521 -3.2421 -2.8427 H 0 0 0 0 0 0 0 0 0 1.1094 -1.7200 -4.0530 H 0 0 0 0 0 0 0 0 0 0.4993 -6.8062 -1.1879 H 0 0 0 0 0 0 0 0 0 1.3060 -5.5443 -0.2707 H 0 0 0 0 0 0 0 0 0 3.8558 -8.9549 -0.6082 H 0 0 0 0 0 0 0 0 0 3.1180 -6.6088 -3.9722 H 0 0 0 0 0 0 0 0 0 1.6905 -7.5170 -3.5124 H 0 0 0 0 0 0 0 0 0 3.0335 -5.3242 -1.9264 H 0 0 0 0 0 0 0 0 0 -0.8460 -1.2178 -5.1853 H 0 0 0 0 0 0 0 0 0 2.2678 -7.3356 3.3961 H 0 0 0 0 0 0 0 0 0 0.6279 -6.7606 3.6392 H 0 0 0 0 0 0 0 0 0 0.6602 -10.3277 4.2975 H 0 0 0 0 0 0 0 0 0 4.9245 -9.5384 -2.5782 H 0 0 0 0 0 0 0 0 0 3.8927 -9.3672 -3.9927 H 0 0 0 0 0 0 0 0 0 5.1264 -8.1602 -3.6480 H 0 0 0 0 0 0 0 0 0 -0.5897 -2.7681 -7.0673 H 0 0 0 0 0 0 0 0 0 -2.0511 -3.6182 -6.5791 H 0 0 0 0 0 0 0 0 0 -2.1416 -1.9446 -7.1103 H 0 0 0 0 0 0 0 0 0 -3.2632 -1.2696 -4.9392 H 0 0 0 0 0 0 0 0 0 -3.2017 -2.9275 -4.3577 H 0 0 0 0 0 0 0 0 0 -2.4824 -1.6329 -3.4074 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 12 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 14 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 M END > 680506 > K $$$$ 680509 1016 111283D 680509 51 53 0 1 V2000 4.1399 0.9512 0.8784 C 0 0 0 0 0 0 0 0 0 3.6902 -0.3343 0.1770 C 0 0 0 0 0 0 0 0 0 2.2856 -0.5940 0.5209 N 0 0 0 0 0 0 0 0 0 1.2951 0.4673 0.2946 C 0 0 0 0 0 0 0 0 0 1.7717 1.7440 0.9946 C 0 0 0 0 0 0 0 0 0 3.1829 2.0883 0.5132 C 0 0 0 0 0 0 0 0 0 3.6489 3.3820 1.1842 C 0 0 0 0 0 0 0 0 0 3.8820 3.1280 2.6749 C 0 0 0 0 0 0 0 0 0 5.1946 5.0745 3.3272 C 0 0 0 0 0 0 0 0 0 6.1331 4.6125 2.7081 O 0 0 0 0 0 0 0 0 0 5.3376 6.3668 4.0310 C 0 0 0 0 0 0 0 0 0 6.6037 6.8375 4.3817 C 0 0 0 0 0 0 0 0 0 6.7301 8.0446 5.0380 C 0 0 0 0 0 0 0 0 0 5.6054 8.7878 5.3484 C 0 0 0 0 0 0 0 0 0 4.3471 8.3268 5.0035 C 0 0 0 0 0 0 0 0 0 4.2071 7.1242 4.3424 C 0 0 0 0 0 0 0 0 0 4.0237 4.4085 3.3722 N 0 0 0 0 0 0 0 0 0 3.1721 2.2698 -0.9445 N 0 0 0 0 0 0 0 0 0 1.9127 -1.7833 1.0337 C 0 0 0 0 0 0 0 0 0 0.7739 -1.9455 1.4267 O 0 0 0 0 0 0 0 0 0 2.8887 -2.8906 1.1183 C 0 0 0 0 0 0 0 0 0 3.1837 -3.4720 2.3521 C 0 0 0 0 0 0 0 0 0 4.0952 -4.5054 2.4240 C 0 0 0 0 0 0 0 0 0 4.7165 -4.9649 1.2766 C 0 0 0 0 0 0 0 0 0 4.4283 -4.3927 0.0500 C 0 0 0 0 0 0 0 0 0 3.5149 -3.3628 -0.0366 C 0 0 0 0 0 0 0 0 0 4.1297 0.7996 1.9577 H 0 0 0 0 0 0 0 0 0 5.1492 1.2075 0.5560 H 0 0 0 0 0 0 0 0 0 3.7861 -0.2146 -0.9021 H 0 0 0 0 0 0 0 0 0 4.3082 -1.1679 0.5107 H 0 0 0 0 0 0 0 0 0 1.1956 0.6524 -0.7749 H 0 0 0 0 0 0 0 0 0 0.3326 0.1627 0.7058 H 0 0 0 0 0 0 0 0 0 1.0952 2.5644 0.7551 H 0 0 0 0 0 0 0 0 0 1.7837 1.5848 2.0728 H 0 0 0 0 0 0 0 0 0 4.5782 3.7162 0.7229 H 0 0 0 0 0 0 0 0 0 2.8855 4.1503 1.0616 H 0 0 0 0 0 0 0 0 0 3.0338 2.5815 3.0873 H 0 0 0 0 0 0 0 0 0 4.7909 2.5406 2.8055 H 0 0 0 0 0 0 0 0 0 7.4825 6.2581 4.1403 H 0 0 0 0 0 0 0 0 0 7.7094 8.4098 5.3103 H 0 0 0 0 0 0 0 0 0 5.7098 9.7319 5.8625 H 0 0 0 0 0 0 0 0 0 3.4729 8.9118 5.2486 H 0 0 0 0 0 0 0 0 0 3.2248 6.7674 4.0702 H 0 0 0 0 0 0 0 0 0 3.2747 4.7771 3.8662 H 0 0 0 0 0 0 0 0 0 2.5316 3.0250 -1.1380 H 0 0 0 0 0 0 0 0 0 4.0914 2.5960 -1.2030 H 0 0 0 0 0 0 0 0 0 2.6999 -3.1138 3.2488 H 0 0 0 0 0 0 0 0 0 4.3245 -4.9563 3.3783 H 0 0 0 0 0 0 0 0 0 5.4297 -5.7735 1.3383 H 0 0 0 0 0 0 0 0 0 4.9168 -4.7560 -0.8421 H 0 0 0 0 0 0 0 0 0 3.2875 -2.9200 -0.9950 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 19 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 17 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 M END > 680509 > K $$$$ 680516 1016 111283D 680516 40 42 0 1 V2000 0.0273 1.3951 0.3788 C 0 0 0 0 0 0 0 0 0 -0.0375 0.0179 0.2191 C 0 0 0 0 0 0 0 0 0 1.1018 -0.6953 0.0580 N 0 0 0 0 0 0 0 0 0 2.3189 -0.1028 0.0465 C 0 0 0 0 0 0 0 0 0 2.4237 1.2769 0.2030 C 0 0 0 0 0 0 0 0 0 1.2647 2.0247 0.3704 C 0 0 0 0 0 0 0 0 0 3.4630 -0.8708 -0.1215 C 0 0 0 0 0 0 0 0 0 4.7116 -0.2623 -0.1336 C 0 0 0 0 0 0 0 0 0 4.8224 1.1159 0.0213 C 0 0 0 0 0 0 0 0 0 3.6756 1.8811 0.1898 C 0 0 0 0 0 0 0 0 0 6.0249 1.7526 0.0142 N 0 0 0 0 0 0 0 0 0 6.9937 1.2224 -0.0564 N 0 0 0 0 0 0 0 0 0 8.2004 1.8554 -0.0543 C 0 0 0 0 0 0 0 0 0 9.3705 1.1057 -0.0727 C 0 0 0 0 0 0 0 0 0 10.6044 1.7464 -0.0879 C 0 0 0 0 0 0 0 0 0 10.7203 3.1361 -0.0712 C 0 0 0 0 0 0 0 0 0 9.5335 3.8671 -0.0391 C 0 0 0 0 0 0 0 0 0 8.2939 3.2410 -0.0333 C 0 0 0 0 0 0 0 0 0 9.3205 -0.3974 -0.0781 C 0 0 0 0 0 0 0 0 0 11.9665 3.7340 -0.0857 N 0 0 0 0 0 0 0 0 0 12.1883 5.1609 -0.1792 C 0 0 0 0 0 0 0 0 0 13.1725 2.9402 -0.0064 C 0 0 0 0 0 0 0 0 0 -0.8521 1.9551 0.5047 H 0 0 0 0 0 0 0 0 0 -0.9670 -0.4712 0.2230 H 0 0 0 0 0 0 0 0 0 1.3186 3.0667 0.4911 H 0 0 0 0 0 0 0 0 0 3.3818 -1.9111 -0.2391 H 0 0 0 0 0 0 0 0 0 5.5751 -0.8458 -0.2607 H 0 0 0 0 0 0 0 0 0 3.7632 2.9209 0.3071 H 0 0 0 0 0 0 0 0 0 11.4664 1.1503 -0.1121 H 0 0 0 0 0 0 0 0 0 9.5412 4.9123 -0.0175 H 0 0 0 0 0 0 0 0 0 7.4194 3.8219 -0.0129 H 0 0 0 0 0 0 0 0 0 9.2929 -0.7451 -1.1003 H 0 0 0 0 0 0 0 0 0 10.1936 -0.8041 0.4108 H 0 0 0 0 0 0 0 0 0 8.4412 -0.7505 0.4404 H 0 0 0 0 0 0 0 0 0 11.3007 5.7688 -0.1777 H 0 0 0 0 0 0 0 0 0 12.7996 5.4821 0.6523 H 0 0 0 0 0 0 0 0 0 12.7204 5.3701 -1.0963 H 0 0 0 0 0 0 0 0 0 13.1658 2.3556 0.9027 H 0 0 0 0 0 0 0 0 0 13.2392 2.2803 -0.8596 H 0 0 0 0 0 0 0 0 0 14.0617 3.5553 0.0038 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END > 680516 > K $$$$ 680718 1016 111283D 680718 45 48 0 2 V2000 10.4865 -3.7978 -2.1207 C 0 0 0 0 0 0 0 0 0 10.9499 -3.4245 -3.3759 C 0 0 0 0 0 0 0 0 0 10.9838 -2.0775 -3.6927 C 0 0 0 0 0 0 0 0 0 10.5578 -1.1232 -2.7765 C 0 0 0 0 0 0 0 0 0 10.0906 -1.4721 -1.5142 C 0 0 0 0 0 0 0 0 0 10.0694 -2.8359 -1.2091 C 0 0 0 0 0 0 0 0 0 10.5990 0.2103 -3.1364 C 0 0 0 0 0 0 0 0 0 10.2031 1.1945 -2.2827 N 0 3 0 0 0 0 0 0 0 9.8036 0.8998 -0.9835 C 0 0 0 0 0 0 0 0 0 9.6788 -0.4597 -0.6389 C 0 0 0 0 0 0 0 0 0 9.5119 1.8673 0.0002 C 0 0 0 0 0 0 0 0 0 8.9121 1.4842 1.2025 C 0 0 0 0 0 0 0 0 0 8.7325 0.1464 1.5029 C 0 0 0 0 0 0 0 0 0 9.1345 -0.8126 0.5946 C 0 0 0 0 0 0 0 0 0 9.7782 3.2346 -0.1067 C 0 0 0 0 0 0 0 0 0 9.3358 4.1837 0.8022 C 0 0 0 0 0 0 0 0 0 8.6444 3.7692 1.9353 C 0 0 0 0 0 0 0 0 0 8.4725 2.4093 2.1418 C 0 0 0 0 0 0 0 0 0 8.1346 4.6431 2.8450 O 0 0 0 0 0 0 0 0 0 6.7176 4.6588 2.8396 C 0 0 0 0 0 0 0 0 0 9.6414 5.4691 0.4596 O 0 0 0 0 0 0 0 0 0 9.5439 6.4566 1.4697 C 0 0 0 0 0 0 0 0 0 11.3821 -4.2752 -4.3476 O 0 0 0 0 0 0 0 0 0 11.6301 -5.6237 -3.9982 C 0 0 0 0 0 0 0 0 0 10.2485 2.5138 -2.8929 C 0 0 0 0 0 0 0 0 0 10.4476 -4.8120 -1.8517 H 0 0 0 0 0 0 0 0 0 11.3391 -1.7972 -4.6411 H 0 0 0 0 0 0 0 0 0 9.7397 -3.1910 -0.2805 H 0 0 0 0 0 0 0 0 0 10.9487 0.4421 -4.1040 H 0 0 0 0 0 0 0 0 0 8.2971 -0.1484 2.4147 H 0 0 0 0 0 0 0 0 0 9.0029 -1.8103 0.8844 H 0 0 0 0 0 0 0 0 0 10.3373 3.6398 -0.8822 H 0 0 0 0 0 0 0 0 0 8.0004 2.0888 3.0246 H 0 0 0 0 0 0 0 0 0 6.3537 5.0164 1.8857 H 0 0 0 0 0 0 0 0 0 6.3013 3.6799 3.0318 H 0 0 0 0 0 0 0 0 0 6.3695 5.3310 3.6100 H 0 0 0 0 0 0 0 0 0 8.5097 6.6534 1.7107 H 0 0 0 0 0 0 0 0 0 10.0739 6.1581 2.3641 H 0 0 0 0 0 0 0 0 0 9.9882 7.3711 1.1033 H 0 0 0 0 0 0 0 0 0 12.2557 -5.6907 -3.1188 H 0 0 0 0 0 0 0 0 0 10.6997 -6.1466 -3.8292 H 0 0 0 0 0 0 0 0 0 12.1488 -6.1005 -4.8174 H 0 0 0 0 0 0 0 0 0 10.2333 2.4803 -3.9748 H 0 0 0 0 0 0 0 0 0 9.3820 3.1038 -2.6257 H 0 0 0 0 0 0 0 0 0 11.1643 3.0258 -2.6236 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 23 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 7 2 0 0 0 0 4 5 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 25 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 18 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 8 1 M END > 680718 > K $$$$ 680734 1016 111283D 680734 42 45 0 1 V2000 9.4241 3.0943 1.7743 C 0 0 0 0 0 0 0 0 0 9.0505 2.9834 0.4423 C 0 0 0 0 0 0 0 0 0 8.2548 1.9600 0.0538 N 0 0 0 0 0 0 0 0 0 7.7989 1.0252 0.9243 C 0 0 0 0 0 0 0 0 0 8.1566 1.1090 2.2627 C 0 0 0 0 0 0 0 0 0 8.9731 2.1499 2.6863 C 0 0 0 0 0 0 0 0 0 6.9139 -0.0928 0.4468 C 0 0 0 0 0 0 0 0 0 6.3887 -1.1328 1.4120 C 0 0 0 0 0 0 0 0 0 6.7726 -1.0392 2.7459 C 0 0 0 0 0 0 0 0 0 7.6585 0.0778 3.2283 C 0 0 0 0 0 0 0 0 0 5.5420 -2.1731 1.0196 C 0 0 0 0 0 0 0 0 0 5.1925 -3.1650 1.9394 C 0 0 0 0 0 0 0 0 0 5.6072 -3.0247 3.2626 C 0 0 0 0 0 0 0 0 0 6.3479 -1.9621 3.6348 N 0 0 0 0 0 0 0 0 0 4.4478 -4.2952 1.6037 C 0 0 0 0 0 0 0 0 0 4.1112 -5.2416 2.5633 C 0 0 0 0 0 0 0 0 0 4.5207 -5.0782 3.8789 C 0 0 0 0 0 0 0 0 0 5.2723 -3.9653 4.2271 C 0 0 0 0 0 0 0 0 0 7.9765 0.1561 4.3916 O 0 0 0 0 0 0 0 0 0 6.6381 -0.1358 -0.7284 O 0 0 0 0 0 0 0 0 0 5.0135 -2.2069 -0.3980 C 0 0 0 0 0 0 0 0 0 5.9936 -2.8048 -1.4078 C 0 0 0 0 0 0 0 0 0 6.0261 -4.2631 -1.2946 N 0 0 0 0 0 0 0 0 0 5.8504 -4.9467 -2.5725 C 0 0 0 0 0 0 0 0 0 7.1351 -4.8005 -0.5110 C 0 0 0 0 0 0 0 0 0 10.0412 3.8842 2.0884 H 0 0 0 0 0 0 0 0 0 9.3823 3.6890 -0.2626 H 0 0 0 0 0 0 0 0 0 9.2495 2.2233 3.6978 H 0 0 0 0 0 0 0 0 0 4.1260 -4.4599 0.6193 H 0 0 0 0 0 0 0 0 0 3.5450 -6.0838 2.2921 H 0 0 0 0 0 0 0 0 0 4.2642 -5.7917 4.6059 H 0 0 0 0 0 0 0 0 0 5.5894 -3.8324 5.2196 H 0 0 0 0 0 0 0 0 0 4.0781 -2.7396 -0.4667 H 0 0 0 0 0 0 0 0 0 4.7733 -1.1985 -0.6994 H 0 0 0 0 0 0 0 0 0 5.6355 -2.5117 -2.3852 H 0 0 0 0 0 0 0 0 0 6.9797 -2.3785 -1.2862 H 0 0 0 0 0 0 0 0 0 4.9423 -4.6063 -3.0497 H 0 0 0 0 0 0 0 0 0 6.6875 -4.7409 -3.2249 H 0 0 0 0 0 0 0 0 0 5.7718 -6.0136 -2.4220 H 0 0 0 0 0 0 0 0 0 7.0433 -5.8743 -0.4263 H 0 0 0 0 0 0 0 0 0 8.0766 -4.5676 -0.9884 H 0 0 0 0 0 0 0 0 0 7.1368 -4.3832 0.4845 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 5 6 2 0 0 0 0 6 28 1 0 0 0 0 7 20 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 9 10 1 0 0 0 0 10 19 2 0 0 0 0 11 21 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END > 680734 > K $$$$ 681229 1016 111283D 681229 49 50 1 1 V2000 -8.5717 -0.1449 3.8959 C 0 0 2 0 0 0 0 0 0 -8.7732 0.9942 2.9009 C 0 0 0 0 0 0 0 0 0 -8.6932 0.4196 5.3108 C 0 0 0 0 0 0 0 0 0 -9.9904 1.1773 5.4558 C 0 0 0 0 0 0 0 0 0 -9.9385 2.5629 5.3503 C 0 0 0 0 0 0 0 0 0 -11.0917 3.3233 5.4678 C 0 0 0 0 0 0 0 0 0 -12.3108 2.6969 5.6807 C 0 0 0 0 0 0 0 0 0 -12.3734 1.3127 5.7868 C 0 0 0 0 0 0 0 0 0 -11.2127 0.5438 5.6806 C 0 0 0 0 0 0 0 0 0 -13.6037 0.7021 6.0005 C 0 0 0 0 0 0 0 0 0 -13.6880 -0.6778 6.1206 C 0 0 0 0 0 0 0 0 0 -12.5389 -1.4489 6.0240 C 0 0 0 0 0 0 0 0 0 -11.3107 -0.8405 5.8031 C 0 0 0 0 0 0 0 0 0 -7.8360 1.6146 2.4610 O 0 0 0 0 0 0 0 0 0 -10.1163 2.4650 1.4589 C 0 0 2 0 0 0 0 0 0 -9.9982 1.3896 2.4540 N 0 0 0 0 0 0 0 0 0 -9.2947 4.0696 1.6152 B 0 0 0 0 0 0 0 0 0 -9.2376 5.3913 2.5305 O 0 0 0 0 0 0 0 0 0 -8.2068 5.0324 0.9396 O 0 0 0 0 0 0 0 0 0 -11.5926 2.5490 1.0271 C 0 0 0 0 0 0 0 0 0 -12.6236 3.0379 2.0558 C 0 0 0 0 0 0 0 0 0 -12.4403 4.4768 2.5438 C 0 0 0 0 0 0 0 0 0 -13.9879 2.9986 1.3686 C 0 0 0 0 0 0 0 0 0 -7.3068 -0.8973 3.9357 N 0 0 0 0 0 0 0 0 0 -9.3801 -0.8434 3.7260 H 0 0 0 0 0 0 0 0 0 -8.6253 -0.3783 6.0350 H 0 0 0 0 0 0 0 0 0 -7.8573 1.0815 5.4901 H 0 0 0 0 0 0 0 0 0 -9.0214 3.0482 5.1804 H 0 0 0 0 0 0 0 0 0 -11.0381 4.3708 5.3945 H 0 0 0 0 0 0 0 0 0 -13.1834 3.2765 5.7615 H 0 0 0 0 0 0 0 0 0 -14.4770 1.2820 6.0726 H 0 0 0 0 0 0 0 0 0 -14.6184 -1.1373 6.2850 H 0 0 0 0 0 0 0 0 0 -12.5975 -2.4937 6.1179 H 0 0 0 0 0 0 0 0 0 -10.4587 -1.4489 5.7320 H 0 0 0 0 0 0 0 0 0 -9.5946 2.0944 0.5870 H 0 0 0 0 0 0 0 0 0 -10.7803 0.9385 2.8160 H 0 0 0 0 0 0 0 0 0 -9.3999 6.0031 1.8055 H 0 0 0 0 0 0 0 0 0 -7.6769 5.0568 1.7466 H 0 0 0 0 0 0 0 0 0 -11.6731 3.1733 0.1466 H 0 0 0 0 0 0 0 0 0 -11.8877 1.5516 0.7284 H 0 0 0 0 0 0 0 0 0 -12.6373 2.3718 2.9093 H 0 0 0 0 0 0 0 0 0 -11.5803 4.5679 3.1893 H 0 0 0 0 0 0 0 0 0 -12.3354 5.1587 1.7123 H 0 0 0 0 0 0 0 0 0 -13.2985 4.7804 3.1267 H 0 0 0 0 0 0 0 0 0 -14.2104 1.9972 1.0303 H 0 0 0 0 0 0 0 0 0 -14.7627 3.3105 2.0543 H 0 0 0 0 0 0 0 0 0 -13.9941 3.6657 0.5176 H 0 0 0 0 0 0 0 0 0 -7.1596 -1.4627 3.1212 H 0 0 0 0 0 0 0 0 0 -6.5091 -0.2985 4.0531 H 0 0 0 0 0 0 0 0 0 1 24 1 1 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 25 1 6 0 0 0 2 14 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 1 0 0 0 15 17 1 0 0 0 0 15 35 1 6 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 M END > 681229 > K $$$$ 681730 1016 111283D 681730 50 52 1 1 V2000 -6.3878 -2.0680 0.1882 C 0 0 1 0 0 0 0 0 0 -5.6330 -2.9052 -0.7586 C 0 0 0 0 0 0 0 0 0 -5.0505 -3.5512 -1.4892 N 0 0 0 0 0 0 0 0 0 -7.5541 -1.4894 -0.4922 N 0 0 0 0 0 0 0 0 0 -8.0971 -0.4594 0.4034 C 0 0 0 0 0 0 0 0 0 -11.5420 0.2171 -0.9852 C 0 0 0 0 0 0 0 0 0 -10.4781 -0.4132 -0.3680 C 0 0 0 0 0 0 0 0 0 -9.2578 0.2288 -0.2679 C 0 0 0 0 0 0 0 0 0 -9.1024 1.5018 -0.7830 C 0 0 0 0 0 0 0 0 0 -10.1672 2.1332 -1.3987 C 0 0 0 0 0 0 0 0 0 -11.3869 1.4910 -1.4996 C 0 0 0 0 0 0 0 0 0 -10.2389 5.8335 -1.5673 C 0 0 1 0 0 0 0 0 0 -11.2523 6.0434 -2.6141 C 0 0 0 0 0 0 0 0 0 -12.0343 6.2054 -3.4220 N 0 0 0 0 0 0 0 0 0 -10.3827 6.8962 -0.5086 C 0 0 0 0 0 0 0 0 0 -9.3164 7.7235 -0.2105 C 0 0 0 0 0 0 0 0 0 -9.4484 8.6985 0.7608 C 0 0 0 0 0 0 0 0 0 -10.6467 8.8461 1.4335 C 0 0 0 0 0 0 0 0 0 -11.7136 8.0191 1.1347 C 0 0 0 0 0 0 0 0 0 -11.5831 7.0473 0.1606 C 0 0 0 0 0 0 0 0 0 -6.8501 -2.9126 1.3475 C 0 0 0 0 0 0 0 0 0 -6.3933 -2.6438 2.6238 C 0 0 0 0 0 0 0 0 0 -6.8174 -3.4187 3.6873 C 0 0 0 0 0 0 0 0 0 -7.6988 -4.4618 3.4742 C 0 0 0 0 0 0 0 0 0 -8.1565 -4.7301 2.1975 C 0 0 0 0 0 0 0 0 0 -7.7358 -3.9528 1.1349 C 0 0 0 0 0 0 0 0 0 -10.4286 4.5090 -0.9607 N 0 0 0 0 0 0 0 0 0 -9.9981 3.5217 -1.9595 C 0 0 0 0 0 0 0 0 0 -5.7467 -1.2666 0.5554 H 0 0 0 0 0 0 0 0 0 -7.2053 -1.0095 -1.3082 H 0 0 0 0 0 0 0 0 0 -8.4364 -0.9246 1.3289 H 0 0 0 0 0 0 0 0 0 -7.3213 0.2726 0.6279 H 0 0 0 0 0 0 0 0 0 -12.4941 -0.2863 -1.0673 H 0 0 0 0 0 0 0 0 0 -10.5994 -1.4082 0.0344 H 0 0 0 0 0 0 0 0 0 -8.1493 2.0038 -0.7041 H 0 0 0 0 0 0 0 0 0 -12.2183 1.9835 -1.9818 H 0 0 0 0 0 0 0 0 0 -9.2437 5.8920 -2.0082 H 0 0 0 0 0 0 0 0 0 -8.3801 7.6082 -0.7362 H 0 0 0 0 0 0 0 0 0 -8.6149 9.3445 0.9942 H 0 0 0 0 0 0 0 0 0 -10.7496 9.6073 2.1927 H 0 0 0 0 0 0 0 0 0 -12.6499 8.1342 1.6606 H 0 0 0 0 0 0 0 0 0 -12.4176 6.4037 -0.0754 H 0 0 0 0 0 0 0 0 0 -5.7047 -1.8287 2.7904 H 0 0 0 0 0 0 0 0 0 -6.4599 -3.2091 4.6847 H 0 0 0 0 0 0 0 0 0 -8.0295 -5.0676 4.3049 H 0 0 0 0 0 0 0 0 0 -8.8449 -5.5455 2.0308 H 0 0 0 0 0 0 0 0 0 -8.0963 -4.1600 0.1381 H 0 0 0 0 0 0 0 0 0 -9.7780 4.4465 -0.1920 H 0 0 0 0 0 0 0 0 0 -8.9496 3.6883 -2.2068 H 0 0 0 0 0 0 0 0 0 -10.6046 3.6266 -2.8590 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 21 1 6 0 0 0 1 29 1 1 0 0 0 2 3 3 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 8 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 28 1 0 0 0 0 10 11 1 0 0 0 0 11 36 1 0 0 0 0 12 27 1 6 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 1 0 0 0 13 14 3 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > 681730 > K $$$$ 681741 1016 111283D 681741 52 54 1 1 V2000 6.3631 11.4582 3.2083 C 0 0 1 0 0 0 0 0 0 7.2078 12.6069 2.8426 C 0 0 0 0 0 0 0 0 0 7.8596 13.4933 2.5601 N 0 0 0 0 0 0 0 0 0 6.4565 11.2233 4.6513 N 0 0 0 0 0 0 0 0 0 7.1078 10.0118 5.1556 C 0 0 0 0 0 0 0 0 0 8.6066 10.2702 5.3225 C 0 0 0 0 0 0 0 0 0 9.2974 8.9880 5.7096 C 0 0 0 0 0 0 0 0 0 9.3522 8.6061 7.0368 C 0 0 0 0 0 0 0 0 0 9.9860 7.4299 7.3920 C 0 0 0 0 0 0 0 0 0 10.5642 6.6356 6.4198 C 0 0 0 0 0 0 0 0 0 10.5084 7.0171 5.0921 C 0 0 0 0 0 0 0 0 0 9.8712 8.1909 4.7365 C 0 0 0 0 0 0 0 0 0 5.9432 12.1217 5.5150 C 0 0 0 0 0 0 0 0 0 5.9154 11.8738 6.7046 O 0 0 0 0 0 0 0 0 0 4.9315 11.7493 2.8384 C 0 0 0 0 0 0 0 0 0 3.9184 10.9300 3.2996 C 0 0 0 0 0 0 0 0 0 2.6049 11.1971 2.9602 C 0 0 0 0 0 0 0 0 0 2.3051 12.2835 2.1601 C 0 0 0 0 0 0 0 0 0 3.3185 13.1034 1.6995 C 0 0 0 0 0 0 0 0 0 4.6311 12.8391 2.0423 C 0 0 0 0 0 0 0 0 0 6.8411 10.2139 2.4571 C 0 0 0 0 0 0 0 0 0 6.7793 10.4727 0.9504 C 0 0 0 0 0 0 0 0 0 5.4139 13.4086 5.0153 C 0 0 0 0 0 0 0 0 0 4.0421 13.5733 4.8191 C 0 0 0 0 0 0 0 0 0 3.5546 14.7770 4.3531 C 0 0 0 0 0 0 0 0 0 4.4226 15.8189 4.0799 C 0 0 0 0 0 0 0 0 0 5.7839 15.6623 4.2723 C 0 0 0 0 0 0 0 0 0 6.2836 14.4660 4.7433 C 0 0 0 0 0 0 0 0 0 6.6761 9.7414 6.1193 H 0 0 0 0 0 0 0 0 0 6.9563 9.1964 4.4481 H 0 0 0 0 0 0 0 0 0 9.0191 10.6358 4.3822 H 0 0 0 0 0 0 0 0 0 8.7620 11.0163 6.1020 H 0 0 0 0 0 0 0 0 0 8.9005 9.2268 7.7965 H 0 0 0 0 0 0 0 0 0 10.0296 7.1317 8.4291 H 0 0 0 0 0 0 0 0 0 11.0599 5.7170 6.6972 H 0 0 0 0 0 0 0 0 0 10.9605 6.3966 4.3325 H 0 0 0 0 0 0 0 0 0 9.8242 8.4871 3.6991 H 0 0 0 0 0 0 0 0 0 4.1527 10.0812 3.9247 H 0 0 0 0 0 0 0 0 0 1.8134 10.5565 3.3199 H 0 0 0 0 0 0 0 0 0 1.2792 12.4916 1.8944 H 0 0 0 0 0 0 0 0 0 3.0842 13.9522 1.0741 H 0 0 0 0 0 0 0 0 0 5.4223 13.4817 1.6856 H 0 0 0 0 0 0 0 0 0 7.8676 9.9877 2.7451 H 0 0 0 0 0 0 0 0 0 6.1989 9.3694 2.7073 H 0 0 0 0 0 0 0 0 0 7.4672 11.2776 0.6915 H 0 0 0 0 0 0 0 0 0 7.0618 9.5667 0.4143 H 0 0 0 0 0 0 0 0 0 5.7648 10.7582 0.6720 H 0 0 0 0 0 0 0 0 0 3.3636 12.7602 5.0312 H 0 0 0 0 0 0 0 0 0 2.4932 14.9058 4.2008 H 0 0 0 0 0 0 0 0 0 4.0359 16.7590 3.7147 H 0 0 0 0 0 0 0 0 0 6.4561 16.4797 4.0572 H 0 0 0 0 0 0 0 0 0 7.3459 14.3463 4.8972 H 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 15 1 6 0 0 0 1 21 1 1 0 0 0 2 3 3 0 0 0 0 4 13 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 M END > 681741 > K $$$$ 681744 1016 111283D 681744 76 79 1 1 V2000 -1.7510 -8.6474 23.1325 N 0 0 0 0 0 0 0 0 0 3.0922 -11.8767 27.1000 N 0 0 0 0 0 0 0 0 0 -1.2331 -8.2005 24.4279 C 0 0 0 0 0 0 0 0 0 0.0144 -9.0108 24.7855 C 0 0 0 0 0 0 0 0 0 0.5555 -8.5440 26.1384 C 0 0 0 0 0 0 0 0 0 1.8030 -9.3545 26.4958 C 0 0 0 0 0 0 0 0 0 1.5663 -10.1020 27.8097 C 0 0 0 0 0 0 0 0 0 2.8138 -10.9124 28.1672 C 0 0 0 0 0 0 0 0 0 2.5049 -13.2178 27.1531 C 0 0 1 0 0 0 0 0 0 3.8883 -11.5300 26.0692 C 0 0 0 0 0 0 0 0 0 4.0124 -12.2777 25.1189 O 0 0 0 0 0 0 0 0 0 4.6108 -10.2404 26.0945 C 0 0 0 0 0 0 0 0 0 4.3843 -9.2905 25.0976 C 0 0 0 0 0 0 0 0 0 5.0616 -8.0888 25.1273 C 0 0 0 0 0 0 0 0 0 5.9638 -7.8247 26.1421 C 0 0 0 0 0 0 0 0 0 6.1931 -8.7623 27.1338 C 0 0 0 0 0 0 0 0 0 5.5183 -9.9652 27.1189 C 0 0 0 0 0 0 0 0 0 3.6051 -14.2473 27.1806 C 0 0 0 0 0 0 0 0 0 3.6918 -15.1931 26.1766 C 0 0 0 0 0 0 0 0 0 4.7012 -16.1376 26.2018 C 0 0 0 0 0 0 0 0 0 5.6238 -16.1358 27.2310 C 0 0 0 0 0 0 0 0 0 5.5376 -15.1891 28.2350 C 0 0 0 0 0 0 0 0 0 4.5311 -14.2421 28.2073 C 0 0 0 0 0 0 0 0 0 1.6829 -13.3456 28.3676 C 0 0 0 0 0 0 0 0 0 1.0486 -13.4442 29.3048 N 0 0 0 0 0 0 0 0 0 -1.3372 -8.0484 21.9983 C 0 0 0 0 0 0 0 0 0 -2.7141 -9.7496 23.0695 C 0 0 1 0 0 0 0 0 0 -0.6578 -7.0421 22.0554 O 0 0 0 0 0 0 0 0 0 -1.7098 -8.6152 20.6846 C 0 0 0 0 0 0 0 0 0 -2.4507 -7.8556 19.7782 C 0 0 0 0 0 0 0 0 0 -2.7947 -8.3903 18.5536 C 0 0 0 0 0 0 0 0 0 -2.4073 -9.6768 18.2238 C 0 0 0 0 0 0 0 0 0 -1.6725 -10.4354 19.1180 C 0 0 0 0 0 0 0 0 0 -1.3171 -9.9106 20.3432 C 0 0 0 0 0 0 0 0 0 -3.0114 -10.2199 24.4323 C 0 0 0 0 0 0 0 0 0 -3.2408 -10.5829 25.4841 N 0 0 0 0 0 0 0 0 0 -3.9842 -9.2701 22.4153 C 0 0 0 0 0 0 0 0 0 -4.7017 -8.2314 22.9779 C 0 0 0 0 0 0 0 0 0 -5.8670 -7.7916 22.3777 C 0 0 0 0 0 0 0 0 0 -6.3141 -8.3902 21.2149 C 0 0 0 0 0 0 0 0 0 -5.5957 -9.4285 20.6516 C 0 0 0 0 0 0 0 0 0 -4.4285 -9.8655 21.2492 C 0 0 0 0 0 0 0 0 0 -0.9754 -7.1429 24.3710 H 0 0 0 0 0 0 0 0 0 -1.9942 -8.3482 25.1942 H 0 0 0 0 0 0 0 0 0 -0.2433 -10.0685 24.8425 H 0 0 0 0 0 0 0 0 0 0.7756 -8.8632 24.0193 H 0 0 0 0 0 0 0 0 0 0.8132 -7.4866 26.0813 H 0 0 0 0 0 0 0 0 0 -0.2056 -8.6918 26.9045 H 0 0 0 0 0 0 0 0 0 2.0101 -10.0720 25.7019 H 0 0 0 0 0 0 0 0 0 2.6532 -8.6819 26.6087 H 0 0 0 0 0 0 0 0 0 1.3592 -9.3846 28.6037 H 0 0 0 0 0 0 0 0 0 0.7160 -10.7747 27.6968 H 0 0 0 0 0 0 0 0 0 2.6452 -11.4450 29.1031 H 0 0 0 0 0 0 0 0 0 3.6642 -10.2398 28.2799 H 0 0 0 0 0 0 0 0 0 1.8808 -13.3764 26.2737 H 0 0 0 0 0 0 0 0 0 3.6806 -9.4957 24.3043 H 0 0 0 0 0 0 0 0 0 4.8872 -7.3527 24.3563 H 0 0 0 0 0 0 0 0 0 6.4919 -6.8828 26.1604 H 0 0 0 0 0 0 0 0 0 6.8988 -8.5500 27.9233 H 0 0 0 0 0 0 0 0 0 5.6948 -10.6944 27.8958 H 0 0 0 0 0 0 0 0 0 2.9709 -15.1947 25.3724 H 0 0 0 0 0 0 0 0 0 4.7685 -16.8772 25.4176 H 0 0 0 0 0 0 0 0 0 6.4118 -16.8740 27.2512 H 0 0 0 0 0 0 0 0 0 6.2583 -15.1878 29.0393 H 0 0 0 0 0 0 0 0 0 4.4659 -13.5004 28.9896 H 0 0 0 0 0 0 0 0 0 -2.2919 -10.5682 22.4867 H 0 0 0 0 0 0 0 0 0 -2.7544 -6.8514 20.0348 H 0 0 0 0 0 0 0 0 0 -3.3681 -7.8035 17.8514 H 0 0 0 0 0 0 0 0 0 -2.6797 -10.0909 17.2643 H 0 0 0 0 0 0 0 0 0 -1.3732 -11.4390 18.8544 H 0 0 0 0 0 0 0 0 0 -0.7400 -10.5021 21.0384 H 0 0 0 0 0 0 0 0 0 -4.3525 -7.7637 23.8866 H 0 0 0 0 0 0 0 0 0 -6.4281 -6.9804 22.8177 H 0 0 0 0 0 0 0 0 0 -7.2247 -8.0470 20.7464 H 0 0 0 0 0 0 0 0 0 -5.9452 -9.8965 19.7432 H 0 0 0 0 0 0 0 0 0 -3.8654 -10.6740 20.8072 H 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 3 1 0 0 0 0 2 10 1 0 0 0 0 2 9 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 24 1 1 0 0 0 9 18 1 6 0 0 0 9 55 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 56 1 0 0 0 0 14 15 2 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 58 1 0 0 0 0 16 17 2 0 0 0 0 16 59 1 0 0 0 0 17 60 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 61 1 0 0 0 0 20 21 2 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 22 23 2 0 0 0 0 22 64 1 0 0 0 0 23 65 1 0 0 0 0 24 25 3 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 35 1 0 0 0 0 27 37 1 1 0 0 0 27 66 1 6 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 31 32 2 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 32 69 1 0 0 0 0 33 34 2 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 35 36 3 0 0 0 0 37 38 2 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 72 1 0 0 0 0 39 40 2 0 0 0 0 39 73 1 0 0 0 0 40 41 1 0 0 0 0 40 74 1 0 0 0 0 41 42 2 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 M END > 681744 > K $$$$ 682769 1016 111283D 682769 54 58 0 1 V2000 -4.3836 -5.8694 -1.0028 C 0 0 0 0 0 0 0 0 0 -5.1058 -4.6957 -0.7815 C 0 0 0 0 0 0 0 0 0 -4.4607 -3.3578 -0.8209 C 0 0 0 0 0 0 0 0 0 -3.5847 -3.0269 -1.8470 C 0 0 0 0 0 0 0 0 0 -3.2560 -4.0463 -2.9089 C 0 0 0 0 0 0 0 0 0 -2.4654 -5.1480 -2.2475 C 0 0 0 0 0 0 0 0 0 -5.0471 -7.0948 -0.9614 C 0 0 0 0 0 0 0 0 0 -6.4061 -7.1492 -0.7007 C 0 0 0 0 0 0 0 0 0 -7.1197 -5.9815 -0.4774 C 0 0 0 0 0 0 0 0 0 -6.4733 -4.7579 -0.5162 C 0 0 0 0 0 0 0 0 0 -4.7342 -2.4748 0.1385 N 0 0 0 0 0 0 0 0 0 -4.1982 -1.2579 0.1401 C 0 0 0 0 0 0 0 0 0 -3.3282 -0.8557 -0.8678 C 0 0 0 0 0 0 0 0 0 -3.0141 -1.7573 -1.8843 C 0 0 0 0 0 0 0 0 0 -3.0220 -5.8775 -1.2595 N 0 0 0 0 0 0 0 0 0 -1.3311 -5.3788 -2.6021 O 0 0 0 0 0 0 0 0 0 -2.0867 -1.3712 -2.9835 C 0 0 0 0 0 0 0 0 0 -2.4568 -0.3761 -3.8835 C 0 0 0 0 0 0 0 0 0 -1.5955 -0.0177 -4.9072 C 0 0 0 0 0 0 0 0 0 -0.3673 -0.6511 -5.0339 C 0 0 0 0 0 0 0 0 0 0.0041 -1.6476 -4.1333 C 0 0 0 0 0 0 0 0 0 -0.8539 -2.0065 -3.1054 C 0 0 0 0 0 0 0 0 0 0.4765 -0.2952 -6.0423 O 0 0 0 0 0 0 0 0 0 0.0657 0.6928 -7.0142 C 0 0 0 0 0 0 0 0 0 1.2100 -2.2689 -4.2596 O 0 0 0 0 0 0 0 0 0 1.5541 -3.3661 -3.3834 C 0 0 0 0 0 0 0 0 0 -4.5381 -0.3169 1.2376 C 0 0 0 0 0 0 0 0 0 -5.7238 -0.4762 1.9495 C 0 0 0 0 0 0 0 0 0 -6.0362 0.4065 2.9708 C 0 0 0 0 0 0 0 0 0 -5.1701 1.4440 3.2805 C 0 0 0 0 0 0 0 0 0 -3.9887 1.6037 2.5722 C 0 0 0 0 0 0 0 0 0 -3.6674 0.7233 1.5524 C 0 0 0 0 0 0 0 0 0 -4.1741 -4.4512 -3.3318 H 0 0 0 0 0 0 0 0 0 -2.6592 -3.5845 -3.6931 H 0 0 0 0 0 0 0 0 0 -4.5030 -8.0052 -1.1336 H 0 0 0 0 0 0 0 0 0 -6.9080 -8.0980 -0.6713 H 0 0 0 0 0 0 0 0 0 -8.1731 -6.0261 -0.2742 H 0 0 0 0 0 0 0 0 0 -7.0322 -3.8563 -0.3424 H 0 0 0 0 0 0 0 0 0 -2.9065 0.1345 -0.8603 H 0 0 0 0 0 0 0 0 0 -2.4434 -6.4316 -0.7117 H 0 0 0 0 0 0 0 0 0 -3.4075 0.1157 -3.7879 H 0 0 0 0 0 0 0 0 0 -1.8795 0.7504 -5.6024 H 0 0 0 0 0 0 0 0 0 -0.5659 -2.7724 -2.4077 H 0 0 0 0 0 0 0 0 0 0.8656 0.8464 -7.7390 H 0 0 0 0 0 0 0 0 0 -0.8290 0.3475 -7.5327 H 0 0 0 0 0 0 0 0 0 -0.1500 1.6353 -6.5105 H 0 0 0 0 0 0 0 0 0 2.5502 -3.7329 -3.6319 H 0 0 0 0 0 0 0 0 0 1.5436 -3.0258 -2.3478 H 0 0 0 0 0 0 0 0 0 0.8318 -4.1735 -3.5057 H 0 0 0 0 0 0 0 0 0 -6.3972 -1.2792 1.7109 H 0 0 0 0 0 0 0 0 0 -6.9495 0.2873 3.5225 H 0 0 0 0 0 0 0 0 0 -5.4152 2.1265 4.0725 H 0 0 0 0 0 0 0 0 0 -3.3220 2.4094 2.8154 H 0 0 0 0 0 0 0 0 0 -2.7484 0.8462 1.0090 H 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 16 2 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 12 27 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 17 1 0 0 0 0 15 40 1 0 0 0 0 17 22 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 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-1.1691 C 0 0 0 0 0 0 0 0 0 3.1266 -2.3265 -2.0708 C 0 0 0 0 0 0 0 0 0 3.3384 -3.5256 -2.7399 C 0 0 0 0 0 0 0 0 0 4.5015 -4.2501 -2.5178 C 0 0 0 0 0 0 0 0 0 5.4544 -3.7693 -1.6306 C 0 0 0 0 0 0 0 0 0 5.2380 -2.5712 -0.9625 C 0 0 0 0 0 0 0 0 0 3.6543 2.0740 0.3141 N 0 0 0 0 0 0 0 0 0 4.7651 -5.7561 -3.3483 Cl 0 0 0 0 0 0 0 0 0 4.7272 0.9287 2.0745 N 0 0 0 0 0 0 0 0 0 0.7141 -0.7672 2.0094 H 0 0 0 0 0 0 0 0 0 -0.6499 -0.9585 0.9188 H 0 0 0 0 0 0 0 0 0 1.4917 -1.8830 0.0251 H 0 0 0 0 0 0 0 0 0 0.7505 -0.6660 -1.0084 H 0 0 0 0 0 0 0 0 0 5.7336 1.8794 0.5044 H 0 0 0 0 0 0 0 0 0 1.7115 3.9176 0.5287 H 0 0 0 0 0 0 0 0 0 -0.4211 4.8314 1.2438 H 0 0 0 0 0 0 0 0 0 -2.2401 3.3385 1.8840 H 0 0 0 0 0 0 0 0 0 -1.9197 0.9260 1.8080 H 0 0 0 0 0 0 0 0 0 2.2470 -1.7871 -2.2572 H 0 0 0 0 0 0 0 0 0 2.6202 -3.8864 -3.4157 H 0 0 0 0 0 0 0 0 0 6.3377 -4.3126 -1.4648 H 0 0 0 0 0 0 0 0 0 5.9646 -2.2147 -0.2930 H 0 0 0 0 0 0 0 0 0 3.5878 2.8721 0.9111 H 0 0 0 0 0 0 0 0 0 5.4768 0.3220 2.3381 H 0 0 0 0 0 0 0 0 0 4.6944 1.7319 2.6679 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 20 1 0 0 0 0 5 6 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 9 20 1 6 0 0 0 9 22 1 1 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END > 682864 > K $$$$ 683792 1016 111283D 683792 78 83 0 1 V2000 8.4391 3.2570 8.7364 C 0 0 0 0 0 0 0 0 0 7.5295 4.3062 8.6338 C 0 0 0 0 0 0 0 0 0 6.2577 4.0500 8.1399 C 0 0 0 0 0 0 0 0 0 5.8889 2.7680 7.7500 C 0 0 0 0 0 0 0 0 0 6.8057 1.7243 7.8539 C 0 0 0 0 0 0 0 0 0 8.0797 1.9731 8.3485 C 0 0 0 0 0 0 0 0 0 4.6133 2.5196 7.2579 C 0 0 0 0 0 0 0 0 0 4.2548 1.2360 6.8688 C 0 0 0 0 0 0 0 0 0 5.1680 0.1930 6.9679 C 0 0 0 0 0 0 0 0 0 6.4424 0.4414 7.4633 C 0 0 0 0 0 0 0 0 0 4.7840 -1.1979 6.5373 C 0 0 0 0 0 0 0 0 0 5.0961 -1.4214 5.1254 N 0 0 0 0 0 0 0 0 0 4.2797 -0.6275 4.2107 C 0 0 0 0 0 0 0 0 0 4.5007 -1.0622 2.7646 C 0 0 0 0 0 0 0 0 0 6.7808 -1.8267 3.3747 C 0 0 0 0 0 0 0 0 0 6.5236 -1.3805 4.8120 C 0 0 0 0 0 0 0 0 0 5.9843 -0.9727 2.3775 C 0 0 0 0 0 0 0 0 0 7.7833 5.6002 8.9855 O 0 0 0 0 0 0 0 0 0 9.0699 5.9258 9.4720 C 0 0 0 0 0 0 0 0 0 6.2225 -1.4112 0.9202 C 0 0 0 0 0 0 0 0 0 5.4258 -0.5498 -0.0708 C 0 0 0 0 0 0 0 0 0 5.6727 -0.9931 -1.5099 C 0 0 0 0 0 0 0 0 0 7.0972 -0.9585 -1.8306 N 0 0 0 0 0 0 0 0 0 7.9157 -1.7601 -0.9227 C 0 0 0 0 0 0 0 0 0 7.7046 -1.3288 0.5267 C 0 0 0 0 0 0 0 0 0 7.0374 -2.5741 -3.6751 C 0 0 0 0 0 0 0 0 0 7.9876 -3.5850 -3.5938 C 0 0 0 0 0 0 0 0 0 7.6675 -4.8779 -3.9841 C 0 0 0 0 0 0 0 0 0 6.3944 -5.1675 -4.4594 C 0 0 0 0 0 0 0 0 0 5.4374 -4.1583 -4.5401 C 0 0 0 0 0 0 0 0 0 5.7633 -2.8653 -4.1485 C 0 0 0 0 0 0 0 0 0 6.0701 -6.4593 -4.8552 C 0 0 0 0 0 0 0 0 0 4.8016 -6.7620 -5.3303 C 0 0 0 0 0 0 0 0 0 3.8490 -5.7494 -5.4049 C 0 0 0 0 0 0 0 0 0 4.1645 -4.4551 -5.0122 C 0 0 0 0 0 0 0 0 0 7.3881 -1.1731 -3.2480 C 0 0 0 0 0 0 0 0 0 4.5952 -8.0617 -5.6921 O 0 0 0 0 0 0 0 0 0 3.3312 -8.4248 -6.2102 C 0 0 0 0 0 0 0 0 0 9.4049 3.4237 9.1084 H 0 0 0 0 0 0 0 0 0 5.5744 4.8437 8.0652 H 0 0 0 0 0 0 0 0 0 8.7762 1.1913 8.4317 H 0 0 0 0 0 0 0 0 0 3.9147 3.3003 7.1778 H 0 0 0 0 0 0 0 0 0 3.2886 1.0564 6.4978 H 0 0 0 0 0 0 0 0 0 7.1337 -0.3460 7.5418 H 0 0 0 0 0 0 0 0 0 5.3125 -1.9235 7.1396 H 0 0 0 0 0 0 0 0 0 3.7277 -1.3521 6.7066 H 0 0 0 0 0 0 0 0 0 3.2332 -0.7513 4.4508 H 0 0 0 0 0 0 0 0 0 4.5346 0.4195 4.2976 H 0 0 0 0 0 0 0 0 0 4.1537 -2.0786 2.6444 H 0 0 0 0 0 0 0 0 0 3.9044 -0.4103 2.1454 H 0 0 0 0 0 0 0 0 0 7.8401 -1.7288 3.1947 H 0 0 0 0 0 0 0 0 0 6.4998 -2.8647 3.2700 H 0 0 0 0 0 0 0 0 0 6.9025 -0.3750 4.9288 H 0 0 0 0 0 0 0 0 0 7.0664 -2.0339 5.4798 H 0 0 0 0 0 0 0 0 0 6.3017 0.0566 2.4773 H 0 0 0 0 0 0 0 0 0 9.2751 5.3911 10.3885 H 0 0 0 0 0 0 0 0 0 9.8256 5.6984 8.7335 H 0 0 0 0 0 0 0 0 0 9.0992 6.9856 9.6780 H 0 0 0 0 0 0 0 0 0 5.8977 -2.4379 0.8183 H 0 0 0 0 0 0 0 0 0 4.3660 -0.6417 0.1091 H 0 0 0 0 0 0 0 0 0 5.7132 0.4867 0.0341 H 0 0 0 0 0 0 0 0 0 5.2890 -1.9966 -1.6305 H 0 0 0 0 0 0 0 0 0 5.1310 -0.3316 -2.1712 H 0 0 0 0 0 0 0 0 0 7.6541 -2.8053 -1.0098 H 0 0 0 0 0 0 0 0 0 8.9614 -1.6443 -1.1695 H 0 0 0 0 0 0 0 0 0 8.0573 -0.3149 0.6498 H 0 0 0 0 0 0 0 0 0 8.2973 -1.9850 1.1450 H 0 0 0 0 0 0 0 0 0 8.9529 -3.3742 -3.2363 H 0 0 0 0 0 0 0 0 0 8.3924 -5.6352 -3.9182 H 0 0 0 0 0 0 0 0 0 5.0444 -2.1018 -4.2096 H 0 0 0 0 0 0 0 0 0 6.7854 -7.2255 -4.7992 H 0 0 0 0 0 0 0 0 0 2.8829 -5.9526 -5.7585 H 0 0 0 0 0 0 0 0 0 3.4342 -3.7023 -5.0748 H 0 0 0 0 0 0 0 0 0 6.8331 -0.4622 -3.8441 H 0 0 0 0 0 0 0 0 0 8.4383 -0.9902 -3.4293 H 0 0 0 0 0 0 0 0 0 2.5592 -8.2637 -5.4714 H 0 0 0 0 0 0 0 0 0 3.1104 -7.8615 -7.1058 H 0 0 0 0 0 0 0 0 0 3.3531 -9.4750 -6.4620 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 39 1 0 0 0 0 2 18 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 43 1 0 0 0 0 9 11 1 0 0 0 0 9 10 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 17 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 20 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 36 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 36 1 0 0 0 0 26 31 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 70 1 0 0 0 0 32 33 2 0 0 0 0 32 71 1 0 0 0 0 33 37 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 38 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 M END > 683792 > K $$$$ 684405 1016 111283D 684405 37 39 0 1 V2000 0.0518 0.3624 0.0380 C 0 0 0 0 0 0 0 0 0 -0.1146 1.7453 -0.0481 C 0 0 0 0 0 0 0 0 0 0.9934 2.5816 -0.1060 C 0 0 0 0 0 0 0 0 0 2.2670 2.0254 -0.0780 C 0 0 0 0 0 0 0 0 0 2.4323 0.6512 0.0063 C 0 0 0 0 0 0 0 0 0 1.3267 -0.1893 0.0648 C 0 0 0 0 0 0 0 0 0 -1.5772 1.9871 -0.0554 C 0 0 0 0 0 0 0 0 0 -1.3120 -0.2170 0.0852 C 0 0 0 0 0 0 0 0 0 -1.5847 -1.3935 0.1628 O 0 0 0 0 0 0 0 0 0 -2.1213 3.0661 -0.1198 O 0 0 0 0 0 0 0 0 0 -2.2048 0.7940 0.0228 N 0 0 0 0 0 0 0 0 0 -3.6523 0.6210 0.0399 C 0 0 0 0 0 0 0 0 0 -4.1507 0.6293 1.4878 C 0 0 0 0 0 0 0 0 0 -5.6797 0.6154 1.5023 C 0 0 0 0 0 0 0 0 0 -6.1685 0.6009 2.9273 C 0 0 0 0 0 0 0 0 0 -5.3756 0.6068 3.8383 O 0 0 0 0 0 0 0 0 0 -7.4934 0.5823 3.1842 N 0 0 0 0 0 0 0 0 0 -7.9198 0.5688 4.4643 C 0 0 0 0 0 0 0 0 0 -10.1544 0.5426 3.7630 C 0 0 0 0 0 0 0 0 0 -9.7126 0.5614 2.3978 C 0 0 0 0 0 0 0 0 0 -8.3925 0.5808 2.1438 C 0 0 0 0 0 0 0 0 0 -10.6114 0.5601 1.3972 F 0 0 0 0 0 0 0 0 0 -11.3375 0.5239 4.0186 O 0 0 0 0 0 0 0 0 0 -7.1134 0.5752 5.3662 O 0 0 0 0 0 0 0 0 0 -9.2374 0.5493 4.7495 N 0 0 0 0 0 0 0 0 0 0.8721 3.6461 -0.1720 H 0 0 0 0 0 0 0 0 0 3.1297 2.6641 -0.1223 H 0 0 0 0 0 0 0 0 0 3.4220 0.2337 0.0268 H 0 0 0 0 0 0 0 0 0 1.4614 -1.2522 0.1307 H 0 0 0 0 0 0 0 0 0 -4.1246 1.4353 -0.5094 H 0 0 0 0 0 0 0 0 0 -3.9129 -0.3288 -0.4264 H 0 0 0 0 0 0 0 0 0 -3.7748 -0.2520 2.0057 H 0 0 0 0 0 0 0 0 0 -3.7911 1.5265 1.9897 H 0 0 0 0 0 0 0 0 0 -6.0567 1.5051 0.9986 H 0 0 0 0 0 0 0 0 0 -6.0407 -0.2736 0.9860 H 0 0 0 0 0 0 0 0 0 -8.0422 0.5959 1.1250 H 0 0 0 0 0 0 0 0 0 -9.5284 0.5404 5.6734 H 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 23 2 0 0 0 0 19 25 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 21 36 1 0 0 0 0 25 37 1 0 0 0 0 M END > 684405 > K $$$$ 684480 1016 111283D 684480 46 50 0 1 V2000 4.7994 -3.1444 -2.4525 C 0 0 0 0 0 0 0 0 0 3.4547 -3.1604 -2.0860 C 0 0 0 0 0 0 0 0 0 2.9208 -2.2978 -1.0042 C 0 0 0 0 0 0 0 0 0 3.2677 -0.9529 -0.9423 C 0 0 0 0 0 0 0 0 0 4.2241 -0.3778 -1.9574 C 0 0 0 0 0 0 0 0 0 5.5769 -1.0014 -1.7097 C 0 0 0 0 0 0 0 0 0 2.1035 -2.8190 -0.0938 N 0 0 0 0 0 0 0 0 0 1.5858 -2.0878 0.8824 C 0 0 0 0 0 0 0 0 0 1.8778 -0.7319 0.9952 C 0 0 0 0 0 0 0 0 0 2.7387 -0.1459 0.0630 C 0 0 0 0 0 0 0 0 0 5.7385 -2.3268 -1.8302 N 0 0 0 0 0 0 0 0 0 6.5185 -0.3020 -1.4013 O 0 0 0 0 0 0 0 0 0 5.2378 -3.9801 -3.4787 C 0 0 0 0 0 0 0 0 0 4.3530 -4.8166 -4.1253 C 0 0 0 0 0 0 0 0 0 3.0177 -4.8347 -3.7602 C 0 0 0 0 0 0 0 0 0 2.5670 -4.0107 -2.7519 C 0 0 0 0 0 0 0 0 0 0.6804 -2.7245 1.8703 C 0 0 0 0 0 0 0 0 0 0.5240 -2.1656 3.1371 C 0 0 0 0 0 0 0 0 0 -0.3195 -2.7617 4.0529 C 0 0 0 0 0 0 0 0 0 -1.0089 -3.9120 3.7157 C 0 0 0 0 0 0 0 0 0 -0.8576 -4.4723 2.4586 C 0 0 0 0 0 0 0 0 0 -0.0209 -3.8804 1.5327 C 0 0 0 0 0 0 0 0 0 -1.7260 -5.9169 2.0432 Cl 0 0 0 0 0 0 0 0 0 3.0804 1.2960 0.1420 C 0 0 0 0 0 0 0 0 0 2.0914 2.2600 -0.0415 C 0 0 0 0 0 0 0 0 0 2.4149 3.5998 0.0330 C 0 0 0 0 0 0 0 0 0 3.7179 3.9860 0.2893 C 0 0 0 0 0 0 0 0 0 4.7040 3.0330 0.4722 C 0 0 0 0 0 0 0 0 0 4.3906 1.6908 0.4055 C 0 0 0 0 0 0 0 0 0 3.8840 -0.6189 -2.9646 H 0 0 0 0 0 0 0 0 0 4.2869 0.7036 -1.8359 H 0 0 0 0 0 0 0 0 0 1.4457 -0.1418 1.7899 H 0 0 0 0 0 0 0 0 0 6.5421 -2.7324 -1.4689 H 0 0 0 0 0 0 0 0 0 6.2779 -3.9719 -3.7694 H 0 0 0 0 0 0 0 0 0 4.7026 -5.4596 -4.9194 H 0 0 0 0 0 0 0 0 0 2.3280 -5.4921 -4.2687 H 0 0 0 0 0 0 0 0 0 1.5247 -4.0277 -2.4693 H 0 0 0 0 0 0 0 0 0 1.0621 -1.2676 3.4022 H 0 0 0 0 0 0 0 0 0 -0.4412 -2.3288 5.0349 H 0 0 0 0 0 0 0 0 0 -1.6671 -4.3754 4.4356 H 0 0 0 0 0 0 0 0 0 0.0931 -4.3150 0.5506 H 0 0 0 0 0 0 0 0 0 1.0736 1.9595 -0.2419 H 0 0 0 0 0 0 0 0 0 1.6491 4.3480 -0.1094 H 0 0 0 0 0 0 0 0 0 3.9668 5.0354 0.3464 H 0 0 0 0 0 0 0 0 0 5.7199 3.3401 0.6721 H 0 0 0 0 0 0 0 0 0 5.1602 0.9476 0.5534 H 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 2 2 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 12 2 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 24 1 0 0 0 0 11 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 22 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 29 2 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END > 684480 > K $$$$ 684845 1016 111283D 684845 40 40 1 1 V2000 1.9794 1.7621 -2.9593 C 0 0 1 0 0 0 0 0 0 1.7087 3.5752 -4.6979 C 0 0 0 0 0 0 0 0 0 1.8037 3.8729 -6.0540 C 0 0 0 0 0 0 0 0 0 1.6163 5.1679 -6.5200 C 0 0 0 0 0 0 0 0 0 1.3258 6.1894 -5.6272 C 0 0 0 0 0 0 0 0 0 1.2332 5.9090 -4.2716 C 0 0 0 0 0 0 0 0 0 1.4319 4.6134 -3.8115 C 0 0 0 0 0 0 0 0 0 1.1372 7.4303 -6.0668 F 0 0 0 0 0 0 0 0 0 1.8958 2.2712 -4.3201 N 0 0 0 0 0 0 0 0 0 0.6073 1.5548 -2.2722 C 0 0 0 0 0 0 0 0 0 0.7435 1.0839 -0.9783 F 0 0 0 0 0 0 0 0 0 -0.1163 2.7237 -2.1493 F 0 0 0 0 0 0 0 0 0 -0.2133 0.6853 -2.9692 F 0 0 0 0 0 0 0 0 0 2.5182 0.3463 -2.9492 C 0 0 0 0 0 0 0 0 0 3.1962 -0.0405 -2.0250 O 0 0 0 0 0 0 0 0 0 2.2293 -0.4903 -3.9847 O 0 0 0 0 0 0 0 0 0 3.0505 -1.6389 -4.0100 C 0 0 0 0 0 0 0 0 0 2.7430 -2.3912 -5.2987 C 0 0 0 0 0 0 0 0 0 2.9026 2.6248 -2.2615 N 0 0 0 0 0 0 0 0 0 4.1382 2.8388 -2.7643 C 0 0 0 0 0 0 0 0 0 4.8766 3.6154 -2.2090 O 0 0 0 0 0 0 0 0 0 4.5045 2.1654 -3.8852 O 0 0 0 0 0 0 0 0 0 5.8077 2.4763 -4.3285 C 0 0 0 0 0 0 0 0 0 6.1106 1.5550 -5.5039 C 0 0 0 0 0 0 0 0 0 2.0214 3.1089 -6.7407 H 0 0 0 0 0 0 0 0 0 1.6936 5.3757 -7.5466 H 0 0 0 0 0 0 0 0 0 1.0123 6.6807 -3.5942 H 0 0 0 0 0 0 0 0 0 1.3670 4.4385 -2.7816 H 0 0 0 0 0 0 0 0 0 1.9854 1.6134 -5.0306 H 0 0 0 0 0 0 0 0 0 4.0971 -1.3621 -4.0090 H 0 0 0 0 0 0 0 0 0 2.8460 -2.2747 -3.1594 H 0 0 0 0 0 0 0 0 0 1.6998 -2.6704 -5.3135 H 0 0 0 0 0 0 0 0 0 2.9519 -1.7515 -6.1439 H 0 0 0 0 0 0 0 0 0 3.3543 -3.2795 -5.3611 H 0 0 0 0 0 0 0 0 0 2.6555 3.0586 -1.4324 H 0 0 0 0 0 0 0 0 0 5.8615 3.5069 -4.6533 H 0 0 0 0 0 0 0 0 0 6.5376 2.3052 -3.5482 H 0 0 0 0 0 0 0 0 0 7.0933 1.7706 -5.8970 H 0 0 0 0 0 0 0 0 0 6.0741 0.5273 -5.1727 H 0 0 0 0 0 0 0 0 0 5.3718 1.7041 -6.2775 H 0 0 0 0 0 0 0 0 0 1 19 1 1 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 14 1 6 0 0 0 2 9 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END > 684845 > K $$$$ 685096 1016 111283D 685096 84 85 1 1 V2000 2.1459 -17.6388 -13.3670 C 0 0 1 0 0 0 0 0 0 1.9942 -18.6883 -12.2792 C 0 0 1 0 0 0 0 0 0 2.4675 -17.8308 -11.1037 C 0 0 1 0 0 0 0 0 0 1.8423 -16.5725 -11.2575 O 0 0 0 0 0 0 0 0 0 1.5221 -16.4510 -12.6315 C 0 0 1 0 0 0 0 0 0 2.0155 -15.1208 -13.1896 C 0 0 0 0 0 0 0 0 0 2.1410 -18.3980 -9.8253 N 0 0 0 0 0 0 0 0 0 0.8398 -18.4561 -9.4150 C 0 0 0 0 0 0 0 0 0 0.5430 -18.9866 -8.2217 C 0 0 0 0 0 0 0 0 0 1.6796 -19.4882 -7.3763 C 0 0 0 0 0 0 0 0 0 2.8549 -19.3931 -7.8002 N 0 0 0 0 0 0 0 0 0 3.1369 -18.8778 -9.0257 C 0 0 0 0 0 0 0 0 0 4.2828 -18.8477 -9.4056 O 0 0 0 0 0 0 0 0 0 1.4349 -20.0411 -6.1581 N 0 0 0 0 0 0 0 0 0 2.5022 -20.3845 -5.2553 C 0 0 0 0 0 0 0 0 0 2.0345 -20.3865 -3.8001 C 0 0 0 0 0 0 0 0 0 1.5705 -18.9973 -3.3597 C 0 0 0 0 0 0 0 0 0 1.1243 -19.0020 -1.8962 C 0 0 0 0 0 0 0 0 0 0.6639 -17.6254 -1.4058 C 0 0 0 0 0 0 0 0 0 -0.5178 -17.0214 -2.1714 C 0 0 0 0 0 0 0 0 0 -1.7740 -17.8933 -2.1174 C 0 0 0 0 0 0 0 0 0 -2.9353 -17.2340 -2.8623 C 0 0 0 0 0 0 0 0 0 -4.1848 -18.1130 -2.7985 C 0 0 0 0 0 0 0 0 0 -5.3491 -17.4827 -3.5639 C 0 0 0 0 0 0 0 0 0 -6.5792 -18.3892 -3.5063 C 0 0 0 0 0 0 0 0 0 -7.7425 -17.8073 -4.3132 C 0 0 0 0 0 0 0 0 0 -9.0113 -18.6601 -4.2234 C 0 0 0 0 0 0 0 0 0 -8.8454 -20.0373 -4.8708 C 0 0 0 0 0 0 0 0 0 -10.1427 -20.8453 -4.8160 C 0 0 0 0 0 0 0 0 0 -9.9283 -22.2360 -5.4157 C 0 0 0 0 0 0 0 0 0 -11.1989 -23.0827 -5.3379 C 0 0 0 0 0 0 0 0 0 -10.9645 -24.4709 -5.9301 C 0 0 0 0 0 0 0 0 0 1.8051 -15.0939 -14.5865 O 0 0 0 0 0 0 0 0 0 3.5195 -17.4646 -13.6554 O 0 0 0 0 0 0 0 0 0 0.6398 -19.0903 -12.1686 O 0 0 0 0 0 0 0 0 0 1.5895 -17.9016 -14.2559 H 0 0 0 0 0 0 0 0 0 2.6517 -19.5324 -12.4318 H 0 0 0 0 0 0 0 0 0 3.5371 -17.6800 -11.1980 H 0 0 0 0 0 0 0 0 0 0.4475 -16.5019 -12.7406 H 0 0 0 0 0 0 0 0 0 1.4770 -14.3192 -12.7038 H 0 0 0 0 0 0 0 0 0 3.0687 -15.0210 -12.9652 H 0 0 0 0 0 0 0 0 0 0.0710 -18.0870 -10.0307 H 0 0 0 0 0 0 0 0 0 -0.4490 -19.0497 -7.8855 H 0 0 0 0 0 0 0 0 0 0.5160 -20.2091 -5.8940 H 0 0 0 0 0 0 0 0 0 2.8668 -21.3704 -5.5073 H 0 0 0 0 0 0 0 0 0 3.3209 -19.6841 -5.3519 H 0 0 0 0 0 0 0 0 0 1.2227 -21.0916 -3.6912 H 0 0 0 0 0 0 0 0 0 2.8559 -20.7023 -3.1728 H 0 0 0 0 0 0 0 0 0 2.3817 -18.2934 -3.4814 H 0 0 0 0 0 0 0 0 0 0.7463 -18.6936 -3.9881 H 0 0 0 0 0 0 0 0 0 0.3259 -19.7178 -1.7647 H 0 0 0 0 0 0 0 0 0 1.9576 -19.3135 -1.2823 H 0 0 0 0 0 0 0 0 0 0.3884 -17.7128 -0.3643 H 0 0 0 0 0 0 0 0 0 1.4971 -16.9404 -1.4750 H 0 0 0 0 0 0 0 0 0 -0.7454 -16.0614 -1.7298 H 0 0 0 0 0 0 0 0 0 -0.2367 -16.8574 -3.2016 H 0 0 0 0 0 0 0 0 0 -1.5704 -18.8502 -2.5760 H 0 0 0 0 0 0 0 0 0 -2.0533 -18.0499 -1.0850 H 0 0 0 0 0 0 0 0 0 -3.1507 -16.2738 -2.4149 H 0 0 0 0 0 0 0 0 0 -2.6558 -17.0861 -3.8962 H 0 0 0 0 0 0 0 0 0 -3.9600 -19.0783 -3.2306 H 0 0 0 0 0 0 0 0 0 -4.4706 -18.2505 -1.7649 H 0 0 0 0 0 0 0 0 0 -5.5888 -16.5223 -3.1292 H 0 0 0 0 0 0 0 0 0 -5.0600 -17.3399 -4.5958 H 0 0 0 0 0 0 0 0 0 -6.3109 -19.3557 -3.9075 H 0 0 0 0 0 0 0 0 0 -6.8846 -18.5084 -2.4760 H 0 0 0 0 0 0 0 0 0 -7.9704 -16.8228 -3.9292 H 0 0 0 0 0 0 0 0 0 -7.4504 -17.7115 -5.3498 H 0 0 0 0 0 0 0 0 0 -9.2865 -18.7799 -3.1848 H 0 0 0 0 0 0 0 0 0 -9.8077 -18.1337 -4.7305 H 0 0 0 0 0 0 0 0 0 -8.5477 -19.9122 -5.9026 H 0 0 0 0 0 0 0 0 0 -8.0773 -20.5889 -4.3483 H 0 0 0 0 0 0 0 0 0 -10.4563 -20.9461 -3.7863 H 0 0 0 0 0 0 0 0 0 -10.9137 -20.3278 -5.3699 H 0 0 0 0 0 0 0 0 0 -9.6304 -22.1349 -6.4500 H 0 0 0 0 0 0 0 0 0 -9.1394 -22.7368 -4.8717 H 0 0 0 0 0 0 0 0 0 -11.4988 -23.1884 -4.3047 H 0 0 0 0 0 0 0 0 0 -11.9929 -22.5950 -5.8857 H 0 0 0 0 0 0 0 0 0 -10.1803 -24.9769 -5.3852 H 0 0 0 0 0 0 0 0 0 -11.8729 -25.0515 -5.8606 H 0 0 0 0 0 0 0 0 0 -10.6789 -24.3854 -6.9687 H 0 0 0 0 0 0 0 0 0 2.1056 -14.2558 -14.9261 H 0 0 0 0 0 0 0 0 0 3.6014 -16.8801 -14.4046 H 0 0 0 0 0 0 0 0 0 0.4352 -19.6964 -12.8732 H 0 0 0 0 0 0 0 0 0 1 34 1 6 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 1 36 1 1 0 0 0 2 35 1 1 0 0 0 2 3 1 6 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 1 0 0 0 3 38 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 39 1 1 0 0 0 6 33 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 28 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 30 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 31 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 32 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 35 84 1 0 0 0 0 M END > 685096 > K $$$$ 686288 1016 111283D 686288 34 36 0 1 V2000 0.5150 2.4158 -2.1397 C 0 0 0 0 0 0 0 0 0 1.6617 2.8598 -2.7909 C 0 0 0 0 0 0 0 0 0 2.8517 2.1623 -2.6171 C 0 0 0 0 0 0 0 0 0 2.8995 1.0289 -1.8141 C 0 0 0 0 0 0 0 0 0 1.7459 0.5941 -1.1715 C 0 0 0 0 0 0 0 0 0 4.1023 0.3862 -1.6945 O 0 0 0 0 0 0 0 0 0 4.2652 -0.7284 -0.9208 C 0 0 0 0 0 0 0 0 0 3.2461 -1.2699 -0.2390 C 0 0 0 0 0 0 0 0 0 1.9019 -0.6320 -0.3220 C 0 0 0 0 0 0 0 0 0 5.6601 -1.3057 -0.8855 C 0 0 0 0 0 0 0 0 0 6.0215 -2.3887 -0.0887 C 0 0 0 0 0 0 0 0 0 7.3249 -2.8685 -0.1033 C 0 0 0 0 0 0 0 0 0 8.2885 -2.2771 -0.9111 C 0 0 0 0 0 0 0 0 0 7.9296 -1.1953 -1.7115 C 0 0 0 0 0 0 0 0 0 6.6259 -0.7169 -1.6942 C 0 0 0 0 0 0 0 0 0 9.5589 -2.7716 -0.8981 N 0 0 0 0 0 0 0 0 0 0.9934 -1.1284 0.2989 O 0 0 0 0 0 0 0 0 0 0.5422 1.2800 -1.3307 C 0 0 0 0 0 0 0 0 0 -0.6093 0.8707 -0.7172 N 0 0 0 0 0 0 0 0 0 8.8215 -0.6011 -2.5043 F 0 0 0 0 0 0 0 0 0 3.9657 2.5747 -3.2224 F 0 0 0 0 0 0 0 0 0 -0.6263 3.0911 -2.2956 F 0 0 0 0 0 0 0 0 0 1.6258 4.0822 -3.6750 C 0 0 0 0 0 0 0 0 0 3.3650 -2.1279 0.3500 H 0 0 0 0 0 0 0 0 0 5.3207 -2.8592 0.5345 H 0 0 0 0 0 0 0 0 0 7.5842 -3.6866 0.5027 H 0 0 0 0 0 0 0 0 0 6.3723 0.1015 -2.3033 H 0 0 0 0 0 0 0 0 0 10.2459 -2.3713 -1.4563 H 0 0 0 0 0 0 0 0 0 9.7934 -3.5259 -0.3341 H 0 0 0 0 0 0 0 0 0 -1.4343 1.3688 -0.8385 H 0 0 0 0 0 0 0 0 0 -0.6374 0.0836 -0.1519 H 0 0 0 0 0 0 0 0 0 1.9833 4.9344 -3.1152 H 0 0 0 0 0 0 0 0 0 2.2576 3.9384 -4.5395 H 0 0 0 0 0 0 0 0 0 0.6235 4.2871 -4.0220 H 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 18 1 0 0 0 0 1 2 2 0 0 0 0 2 23 1 0 0 0 0 2 3 1 0 0 0 0 3 21 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 7 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 17 2 0 0 0 0 10 15 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 16 1 0 0 0 0 13 14 2 0 0 0 0 14 20 1 0 0 0 0 14 15 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 18 19 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 M END > 686288 > K $$$$ 686349 1016 111283D 686349 42 44 0 1 V2000 -6.2444 0.5741 -5.0041 C 0 0 0 0 0 0 0 0 0 -6.6380 -0.6776 -4.7102 C 0 0 0 0 0 0 0 0 0 -7.8338 0.8164 -7.0731 C 0 0 0 0 0 0 0 0 0 -8.4729 -0.3382 -6.8599 C 0 0 0 0 0 0 0 0 0 -7.9173 -1.5020 -5.6411 S 0 0 0 0 0 0 0 0 0 -8.4898 1.8357 -8.3889 S 0 0 0 0 0 0 0 0 0 -10.0638 0.6583 -8.8960 S 0 0 0 0 0 0 0 0 0 -9.6835 -0.6010 -7.7034 C 0 0 0 0 0 0 0 0 0 -5.3742 1.3736 -4.0738 C 0 0 0 0 0 0 0 0 0 -5.2814 1.0730 -2.9081 O 0 0 0 0 0 0 0 0 0 -4.6927 2.4489 -4.5560 O 0 0 0 0 0 0 0 0 0 -3.8996 3.0818 -3.5695 C 0 0 0 0 0 0 0 0 0 -6.0482 -1.4880 -3.5889 C 0 0 0 0 0 0 0 0 0 -5.0179 -1.1569 -3.0528 O 0 0 0 0 0 0 0 0 0 -6.6940 -2.6154 -3.1845 O 0 0 0 0 0 0 0 0 0 -6.1545 -3.1638 -1.9977 C 0 0 0 0 0 0 0 0 0 -6.6362 1.2688 -6.2830 C 0 0 0 0 0 0 0 0 0 -6.9099 3.0556 -6.0825 S 0 0 0 0 0 0 0 0 0 -5.8755 3.6679 -7.3982 C 0 0 0 0 0 0 0 0 0 -4.9720 2.7966 -7.8660 C 0 0 0 0 0 0 0 0 0 -5.1778 1.1100 -7.3444 S 0 0 0 0 0 0 0 0 0 -10.3553 -1.5971 -7.5824 O 0 0 0 0 0 0 0 0 0 -3.8225 3.1283 -8.7718 C 0 0 0 0 0 0 0 0 0 -3.2229 2.2205 -9.2984 O 0 0 0 0 0 0 0 0 0 -3.4513 4.4171 -8.9940 O 0 0 0 0 0 0 0 0 0 -2.4271 4.5458 -9.9599 C 0 0 0 0 0 0 0 0 0 -6.0592 5.0703 -7.9051 C 0 0 0 0 0 0 0 0 0 -5.5280 5.4264 -8.9298 O 0 0 0 0 0 0 0 0 0 -6.8374 5.9393 -7.2029 O 0 0 0 0 0 0 0 0 0 -6.8570 7.2388 -7.7624 C 0 0 0 0 0 0 0 0 0 -3.2354 3.7869 -4.0472 H 0 0 0 0 0 0 0 0 0 -4.5346 3.6160 -2.8766 H 0 0 0 0 0 0 0 0 0 -3.2994 2.3671 -3.0214 H 0 0 0 0 0 0 0 0 0 -5.9869 -2.4007 -1.2488 H 0 0 0 0 0 0 0 0 0 -6.8530 -3.8835 -1.5969 H 0 0 0 0 0 0 0 0 0 -5.2208 -3.6632 -2.2135 H 0 0 0 0 0 0 0 0 0 -2.8187 4.3320 -10.9448 H 0 0 0 0 0 0 0 0 0 -2.0623 5.5621 -9.9456 H 0 0 0 0 0 0 0 0 0 -1.6003 3.8805 -9.7511 H 0 0 0 0 0 0 0 0 0 -7.4283 7.2370 -8.6800 H 0 0 0 0 0 0 0 0 0 -7.3246 7.9162 -7.0629 H 0 0 0 0 0 0 0 0 0 -5.8567 7.5975 -7.9667 H 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 9 1 0 0 0 0 1 2 2 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 17 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 22 2 0 0 0 0 9 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 27 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 23 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 29 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 30 42 1 0 0 0 0 M END > 686349 > K $$$$ 687330 1016 111283D 687330 74 77 1 1 V2000 -2.7567 3.8287 -5.4290 C 0 0 2 0 0 0 0 0 0 -2.8271 4.0977 -6.9352 C 0 0 1 0 0 0 0 0 0 -2.7587 5.6455 -6.8004 C 0 0 1 0 0 0 0 0 0 -1.9197 5.9839 -5.7050 O 0 0 0 0 0 0 0 0 0 -1.5417 4.7228 -5.1639 C 0 0 1 0 0 0 0 0 0 -3.0402 2.5262 -4.8896 O 0 0 0 0 0 0 0 0 0 -1.7772 3.3955 -7.7151 N 0 0 0 0 0 0 0 0 0 -1.2917 4.5872 -3.6566 C 0 0 0 0 0 0 0 0 0 -1.0887 3.2189 -3.2817 O 0 0 0 0 0 0 0 0 0 -2.4150 2.3800 -2.9272 Si 0 0 0 0 0 0 0 0 0 -1.8435 1.6175 -4.3223 Si 0 0 0 0 0 0 0 0 0 -2.2175 0.8759 -3.0330 O 0 0 0 0 0 0 0 0 0 -2.7269 0.1728 -5.1847 C 0 0 0 0 0 0 0 0 0 -3.1218 0.2403 -6.6782 C 0 0 0 0 0 0 0 0 0 -2.2391 -1.2741 -4.9414 C 0 0 0 0 0 0 0 0 0 -1.7335 2.2613 -1.1608 C 0 0 0 0 0 0 0 0 0 -1.3103 3.5333 -0.3885 C 0 0 0 0 0 0 0 0 0 -2.4741 1.3784 -0.1290 C 0 0 0 0 0 0 0 0 0 -0.0572 1.3756 -4.9651 C 0 0 0 0 0 0 0 0 0 0.3190 1.4923 -6.4599 C 0 0 0 0 0 0 0 0 0 1.1029 2.0663 -4.2110 C 0 0 0 0 0 0 0 0 0 -1.8511 7.1771 -9.8962 C 0 0 0 0 0 0 0 0 0 -2.5864 6.2530 -9.1877 C 0 0 0 0 0 0 0 0 0 -3.4614 5.4090 -9.7689 N 0 0 0 0 0 0 0 0 0 -3.6190 5.4848 -11.1136 C 0 0 0 0 0 0 0 0 0 -2.9089 6.3847 -11.8408 N 0 0 0 0 0 0 0 0 0 -2.0287 7.2365 -11.2712 C 0 0 0 0 0 0 0 0 0 -1.0641 7.8724 -9.0489 N 0 0 0 0 0 0 0 0 0 -1.3281 7.3651 -7.8218 C 0 0 0 0 0 0 0 0 0 -2.2498 6.3847 -7.9026 N 0 0 0 0 0 0 0 0 0 -1.3762 8.0960 -12.0874 N 0 0 0 0 0 0 0 0 0 -4.1560 3.0778 -2.5359 C 0 0 0 0 0 0 0 0 0 -4.3882 4.5710 -2.2018 C 0 0 0 0 0 0 0 0 0 -5.3409 2.6456 -3.4307 C 0 0 0 0 0 0 0 0 0 -3.5806 4.3923 -5.0057 H 0 0 0 0 0 0 0 0 0 -3.8055 3.8207 -7.3025 H 0 0 0 0 0 0 0 0 0 -3.7542 6.0216 -6.5932 H 0 0 0 0 0 0 0 0 0 -0.6692 4.3277 -5.6676 H 0 0 0 0 0 0 0 0 0 -1.9836 2.4215 -7.8357 H 0 0 0 0 0 0 0 0 0 -1.6360 3.8002 -8.6235 H 0 0 0 0 0 0 0 0 0 -0.3807 5.1415 -3.4657 H 0 0 0 0 0 0 0 0 0 -2.0679 5.1011 -3.1090 H 0 0 0 0 0 0 0 0 0 -3.6558 0.2480 -4.6429 H 0 0 0 0 0 0 0 0 0 -3.5863 1.1950 -6.8800 H 0 0 0 0 0 0 0 0 0 -2.2699 0.0928 -7.3237 H 0 0 0 0 0 0 0 0 0 -3.8458 -0.5328 -6.8973 H 0 0 0 0 0 0 0 0 0 -1.3026 -1.4693 -5.4429 H 0 0 0 0 0 0 0 0 0 -2.1058 -1.4109 -3.8752 H 0 0 0 0 0 0 0 0 0 -2.9788 -1.9854 -5.2824 H 0 0 0 0 0 0 0 0 0 -0.8223 1.7352 -1.3984 H 0 0 0 0 0 0 0 0 0 -0.6831 4.1505 -1.0164 H 0 0 0 0 0 0 0 0 0 -2.1684 4.1013 -0.0601 H 0 0 0 0 0 0 0 0 0 -0.7324 3.2562 0.4830 H 0 0 0 0 0 0 0 0 0 -1.8267 1.1469 0.7053 H 0 0 0 0 0 0 0 0 0 -3.3622 1.8643 0.2486 H 0 0 0 0 0 0 0 0 0 -2.7546 0.4480 -0.6073 H 0 0 0 0 0 0 0 0 0 0.0481 0.3311 -4.7148 H 0 0 0 0 0 0 0 0 0 1.3327 1.1469 -6.6179 H 0 0 0 0 0 0 0 0 0 -0.3224 0.8803 -7.0737 H 0 0 0 0 0 0 0 0 0 0.2661 2.5189 -6.7925 H 0 0 0 0 0 0 0 0 0 0.9677 1.9487 -3.1438 H 0 0 0 0 0 0 0 0 0 2.0594 1.6370 -4.4775 H 0 0 0 0 0 0 0 0 0 1.1213 3.1250 -4.4262 H 0 0 0 0 0 0 0 0 0 -4.2953 4.8433 -11.5990 H 0 0 0 0 0 0 0 0 0 -0.8774 7.6889 -6.9274 H 0 0 0 0 0 0 0 0 0 -1.5588 8.0820 -13.0401 H 0 0 0 0 0 0 0 0 0 -0.7308 8.7226 -11.7248 H 0 0 0 0 0 0 0 0 0 -4.3378 2.5531 -1.6125 H 0 0 0 0 0 0 0 0 0 -3.6690 4.9246 -1.4772 H 0 0 0 0 0 0 0 0 0 -4.3373 5.1910 -3.0854 H 0 0 0 0 0 0 0 0 0 -5.3719 4.7020 -1.7698 H 0 0 0 0 0 0 0 0 0 -5.2864 3.1070 -4.4060 H 0 0 0 0 0 0 0 0 0 -5.3151 1.5734 -3.5738 H 0 0 0 0 0 0 0 0 0 -6.2889 2.9008 -2.9772 H 0 0 0 0 0 0 0 0 0 1 6 1 1 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 1 35 1 6 0 0 0 2 7 1 1 0 0 0 2 3 1 6 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 1 0 0 0 3 37 1 6 0 0 0 4 5 1 0 0 0 0 5 8 1 6 0 0 0 5 38 1 1 0 0 0 6 11 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 28 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 30 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 26 27 2 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 M END > 687330 > K $$$$ 687667 1016 111283D 687667 39 41 0 1 V2000 0.4850 1.3816 2.0914 C 0 0 0 0 0 0 0 0 0 0.3687 0.0550 1.7157 C 0 0 0 0 0 0 0 0 0 1.4649 -0.6272 1.2458 C 0 0 0 0 0 0 0 0 0 2.7193 0.0044 1.1375 C 0 0 0 0 0 0 0 0 0 2.8219 1.3351 1.5296 C 0 0 0 0 0 0 0 0 0 1.7098 2.0135 1.9963 C 0 0 0 0 0 0 0 0 0 3.8245 -0.7979 0.6276 C 0 0 0 0 0 0 0 0 0 5.0843 -0.5019 0.1691 C 0 0 0 0 0 0 0 0 0 5.7670 0.8222 0.1081 C 0 0 0 0 0 0 0 0 0 4.7417 1.9538 0.0849 C 0 0 0 0 0 0 0 0 0 4.1297 2.0772 1.4789 C 0 0 0 0 0 0 0 0 0 3.5766 -1.9897 0.6036 O 0 0 0 0 0 0 0 0 0 5.8027 -1.5528 -0.2884 C 0 0 0 0 0 0 0 0 0 7.2154 -1.3753 -0.6490 C 0 0 0 0 0 0 0 0 0 8.0507 -0.5852 0.1503 C 0 0 0 0 0 0 0 0 0 9.3739 -0.4222 -0.1923 C 0 0 0 0 0 0 0 0 0 9.8812 -1.0398 -1.3299 C 0 0 0 0 0 0 0 0 0 9.0559 -1.8252 -2.1276 C 0 0 0 0 0 0 0 0 0 7.7332 -2.0003 -1.7906 C 0 0 0 0 0 0 0 0 0 11.1865 -0.8754 -1.6635 O 0 0 0 0 0 0 0 0 0 11.7190 -1.5192 -2.8510 C 0 0 0 0 0 0 0 0 0 -0.3779 1.9214 2.4526 H 0 0 0 0 0 0 0 0 0 -0.5854 -0.4452 1.7924 H 0 0 0 0 0 0 0 0 0 1.3633 -1.6626 0.9557 H 0 0 0 0 0 0 0 0 0 1.8004 3.0489 2.2896 H 0 0 0 0 0 0 0 0 0 6.4088 0.9363 0.9817 H 0 0 0 0 0 0 0 0 0 6.3768 0.8710 -0.7941 H 0 0 0 0 0 0 0 0 0 5.2329 2.8889 -0.1845 H 0 0 0 0 0 0 0 0 0 3.9604 1.7267 -0.6403 H 0 0 0 0 0 0 0 0 0 3.9585 3.1291 1.7075 H 0 0 0 0 0 0 0 0 0 4.8148 1.6547 2.2140 H 0 0 0 0 0 0 0 0 0 5.3376 -2.5223 -0.3885 H 0 0 0 0 0 0 0 0 0 7.6575 -0.1045 1.0338 H 0 0 0 0 0 0 0 0 0 10.0190 0.1869 0.4235 H 0 0 0 0 0 0 0 0 0 9.4549 -2.3024 -3.0104 H 0 0 0 0 0 0 0 0 0 7.0944 -2.6146 -2.4079 H 0 0 0 0 0 0 0 0 0 11.6043 -2.5994 -2.7610 H 0 0 0 0 0 0 0 0 0 11.1767 -1.1681 -3.7288 H 0 0 0 0 0 0 0 0 0 12.7759 -1.2735 -2.9545 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 5 6 1 0 0 0 0 6 25 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END > 687667 > K $$$$ 687849 1016 111283D 687849 44 46 0 1 V2000 -10.4314 -2.9862 1.5084 C 0 0 0 0 0 0 0 0 0 -11.5638 -3.6197 2.2726 C 0 0 0 0 0 0 0 0 0 -11.0729 -4.8722 2.7925 N 0 0 0 0 0 0 0 0 0 -10.0479 -4.7913 3.8009 C 0 0 0 0 0 0 0 0 0 -8.8148 -4.2975 3.0971 C 0 0 0 0 0 0 0 0 0 -9.0302 -3.3542 1.9366 C 0 0 0 0 0 0 0 0 0 -8.0783 -2.8925 1.3521 O 0 0 0 0 0 0 0 0 0 -11.5789 -6.0496 2.3159 C 0 0 0 0 0 0 0 0 0 -12.4750 -5.9935 1.5086 O 0 0 0 0 0 0 0 0 0 -11.0908 -7.4114 2.7322 C 0 0 0 0 0 0 0 0 0 -7.5723 -4.6640 3.4562 C 0 0 0 0 0 0 0 0 0 -10.6151 -2.1345 0.4838 C 0 0 0 0 0 0 0 0 0 -11.9257 -1.4958 0.0822 C 0 0 0 0 0 0 0 0 0 -12.9088 -1.1517 1.0065 C 0 0 0 0 0 0 0 0 0 -14.1015 -0.5735 0.5900 C 0 0 0 0 0 0 0 0 0 -14.3210 -0.3256 -0.7578 C 0 0 0 0 0 0 0 0 0 -13.3421 -0.6541 -1.6854 C 0 0 0 0 0 0 0 0 0 -12.1521 -1.2360 -1.2653 C 0 0 0 0 0 0 0 0 0 -7.2181 -5.4636 4.6895 C 0 0 0 0 0 0 0 0 0 -6.1581 -6.3591 4.6066 C 0 0 0 0 0 0 0 0 0 -5.8047 -7.1408 5.6991 C 0 0 0 0 0 0 0 0 0 -6.5051 -7.0263 6.8919 C 0 0 0 0 0 0 0 0 0 -7.5515 -6.1200 6.9917 C 0 0 0 0 0 0 0 0 0 -7.9010 -5.3387 5.8972 C 0 0 0 0 0 0 0 0 0 -15.8179 0.3942 -1.2800 Cl 0 0 0 0 0 0 0 0 0 -6.0724 -8.0148 8.2568 Cl 0 0 0 0 0 0 0 0 0 -11.6512 -8.5220 2.2388 C 0 0 0 0 0 0 0 0 0 -11.8595 -2.9826 3.0942 H 0 0 0 0 0 0 0 0 0 -12.4162 -3.7639 1.6236 H 0 0 0 0 0 0 0 0 0 -10.3368 -4.0722 4.5543 H 0 0 0 0 0 0 0 0 0 -9.8723 -5.7326 4.2953 H 0 0 0 0 0 0 0 0 0 -10.3034 -7.5090 3.4155 H 0 0 0 0 0 0 0 0 0 -6.7809 -4.3765 2.8271 H 0 0 0 0 0 0 0 0 0 -9.7722 -1.8902 -0.0940 H 0 0 0 0 0 0 0 0 0 -12.7615 -1.3203 2.0307 H 0 0 0 0 0 0 0 0 0 -14.8394 -0.3220 1.2942 H 0 0 0 0 0 0 0 0 0 -13.5044 -0.4616 -2.7055 H 0 0 0 0 0 0 0 0 0 -11.4202 -1.4827 -1.9778 H 0 0 0 0 0 0 0 0 0 -5.6192 -6.4506 3.7093 H 0 0 0 0 0 0 0 0 0 -5.0074 -7.8201 5.6242 H 0 0 0 0 0 0 0 0 0 -8.0773 -6.0264 7.8966 H 0 0 0 0 0 0 0 0 0 -8.6870 -4.6509 5.9990 H 0 0 0 0 0 0 0 0 0 -11.3010 -9.4646 2.5406 H 0 0 0 0 0 0 0 0 0 -12.4411 -8.4550 1.5500 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 1 12 2 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 8 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 27 2 0 0 0 0 10 32 1 0 0 0 0 11 19 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 25 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END > 687849 > K $$$$ 687852 1016 111283D 687852 48 50 0 2 V2000 -2.0173 6.3799 -12.9137 C 0 0 0 0 0 0 0 0 0 -1.1489 6.6645 -11.7187 C 0 0 0 0 0 0 0 0 0 -1.9975 7.2601 -10.7237 N 0 0 0 0 0 0 0 0 0 -2.9904 6.3996 -10.1424 C 0 0 0 0 0 0 0 0 0 -4.0056 6.1595 -11.2241 C 0 0 0 0 0 0 0 0 0 -3.4821 6.1189 -12.6421 C 0 0 0 0 0 0 0 0 0 -4.2339 5.8773 -13.5567 O 0 0 0 0 0 0 0 0 0 -1.8324 8.5753 -10.3935 C 0 0 0 0 0 0 0 0 0 -0.9393 9.1829 -10.9331 O 0 0 0 0 0 0 0 0 0 -2.6931 9.3095 -9.4020 C 0 0 0 0 0 0 0 0 0 -5.3133 5.9946 -10.9608 C 0 0 0 0 0 0 0 0 0 -1.5378 6.3599 -14.1699 C 0 0 0 0 0 0 0 0 0 -0.0752 6.4420 -14.5526 C 0 0 0 0 0 0 0 0 0 0.9505 5.9347 -13.7578 C 0 0 0 0 0 0 0 0 0 2.2784 6.0668 -14.1419 C 0 0 0 0 0 0 0 0 0 2.6000 6.6887 -15.3396 C 0 0 0 0 0 0 0 0 0 1.5832 7.1755 -16.1512 C 0 0 0 0 0 0 0 0 0 0.2557 7.0500 -15.7587 C 0 0 0 0 0 0 0 0 0 -5.9066 5.8880 -9.5733 C 0 0 0 0 0 0 0 0 0 -7.1596 6.4492 -9.3588 C 0 0 0 0 0 0 0 0 0 -7.7353 6.4295 -8.0949 C 0 0 0 0 0 0 0 0 0 -7.0682 5.8395 -7.0301 C 0 0 0 0 0 0 0 0 0 -5.8338 5.2402 -7.2438 C 0 0 0 0 0 0 0 0 0 -5.2621 5.2575 -8.5106 C 0 0 0 0 0 0 0 0 0 -2.4519 10.5914 -9.1035 C 0 0 0 0 0 0 0 0 0 -7.6431 5.8642 -5.8015 N 0 3 0 0 0 0 0 0 0 -7.0880 5.3414 -4.8096 O 0 0 0 0 0 0 0 0 0 -8.9368 6.5193 -5.6471 O 0 5 0 0 0 0 0 0 0 3.9077 6.8023 -15.6831 N 0 3 0 0 0 0 0 0 0 4.2544 7.3405 -16.7576 O 0 0 0 0 0 0 0 0 0 4.9220 6.2819 -14.7718 O 0 5 0 0 0 0 0 0 0 -0.7423 5.7386 -11.3352 H 0 0 0 0 0 0 0 0 0 -0.3335 7.3236 -11.9818 H 0 0 0 0 0 0 0 0 0 -2.5411 5.4556 -9.8646 H 0 0 0 0 0 0 0 0 0 -3.4352 6.8280 -9.2607 H 0 0 0 0 0 0 0 0 0 -3.4944 8.8266 -8.9313 H 0 0 0 0 0 0 0 0 0 -5.9738 5.9428 -11.7774 H 0 0 0 0 0 0 0 0 0 -2.2357 6.2857 -14.9523 H 0 0 0 0 0 0 0 0 0 0.7426 5.4411 -12.8569 H 0 0 0 0 0 0 0 0 0 3.0476 5.6960 -13.5282 H 0 0 0 0 0 0 0 0 0 1.8180 7.6400 -17.0632 H 0 0 0 0 0 0 0 0 0 -0.5045 7.4229 -16.3813 H 0 0 0 0 0 0 0 0 0 -7.6776 6.8968 -10.1560 H 0 0 0 0 0 0 0 0 0 -8.6796 6.8630 -7.9371 H 0 0 0 0 0 0 0 0 0 -5.3324 4.7737 -6.4467 H 0 0 0 0 0 0 0 0 0 -4.3356 4.7840 -8.6515 H 0 0 0 0 0 0 0 0 0 -3.0601 11.0901 -8.4078 H 0 0 0 0 0 0 0 0 0 -1.6564 11.1023 -9.5619 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 1 12 2 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 8 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 25 2 0 0 0 0 10 36 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 29 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 29 31 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 4 26 1 28 -1 29 1 31 -1 M END > 687852 > K $$$$ 688363 1016 111283D 688363 100102 1 1 V2000 -12.0482 -11.5820 -9.2914 C 0 0 0 0 0 0 0 0 0 -11.5189 -10.8581 -8.1635 N 0 0 0 0 0 0 0 0 0 -10.1320 -10.4594 -8.1963 C 0 0 0 0 0 0 0 0 0 -12.3559 -10.5833 -7.1193 C 0 0 0 0 0 0 0 0 0 -13.5460 -10.6592 -7.3047 O 0 0 0 0 0 0 0 0 0 -10.0154 -9.0695 -8.8378 C 0 0 0 0 0 0 0 0 0 -8.6663 -8.5545 -8.9288 N 0 0 0 0 0 0 0 0 0 -8.4784 -7.2006 -8.8774 C 0 0 0 0 0 0 0 0 0 -9.4349 -6.4901 -8.6876 O 0 0 0 0 0 0 0 0 0 -7.6241 -9.4235 -9.0636 C 0 0 0 0 0 0 0 0 0 -6.6162 -9.4567 -8.1070 C 0 0 0 0 0 0 0 0 0 -5.5613 -10.3509 -8.2334 C 0 0 0 0 0 0 0 0 0 -5.5095 -11.2126 -9.3213 C 0 0 0 0 0 0 0 0 0 -6.5108 -11.1780 -10.2830 C 0 0 0 0 0 0 0 0 0 -7.5657 -10.2843 -10.1535 C 0 0 0 0 0 0 0 0 0 -11.8491 -13.0756 -9.0294 C 0 0 0 0 0 0 0 0 0 -12.5651 -13.4985 -7.7834 C 0 0 0 0 0 0 0 0 0 -13.1247 -13.8261 -6.8166 N 0 0 0 0 0 0 0 0 0 -13.5234 -8.6428 -5.0291 C 0 0 0 0 0 0 0 0 0 -12.7426 -9.7865 -4.9115 C 0 0 0 0 0 0 0 0 0 -12.7970 -10.5258 -3.7422 C 0 0 0 0 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0.7501 H 0 0 0 0 0 0 0 0 0 -14.0860 -13.3265 -0.0198 H 0 0 0 0 0 0 0 0 0 -10.9708 -10.3318 -5.6808 H 0 0 0 0 0 0 0 0 0 -6.5006 -7.1493 -9.2706 H 0 0 0 0 0 0 0 0 0 -16.7756 -7.6857 -2.6717 H 0 0 0 0 0 0 0 0 0 -16.6915 -7.5722 -0.9246 H 0 0 0 0 0 0 0 0 0 -15.5343 -6.6845 -1.8987 H 0 0 0 0 0 0 0 0 0 -8.5374 -2.2814 -11.3840 H 0 0 0 0 0 0 0 0 0 -7.1979 -0.8455 -12.8133 H 0 0 0 0 0 0 0 0 0 -4.8346 -1.3359 -13.1730 H 0 0 0 0 0 0 0 0 0 -3.8279 -3.2935 -12.1216 H 0 0 0 0 0 0 0 0 0 -5.1601 -4.7481 -10.7291 H 0 0 0 0 0 0 0 0 0 -6.1029 -5.7397 -6.4555 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 3 55 1 0 0 0 0 3 56 1 0 0 0 0 4 5 2 0 0 0 0 4 42 1 0 0 0 0 6 7 1 0 0 0 0 6 57 1 0 0 0 0 6 58 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 43 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 59 1 0 0 0 0 12 13 2 0 0 0 0 12 60 1 0 0 0 0 13 14 1 0 0 0 0 13 61 1 0 0 0 0 14 15 2 0 0 0 0 14 62 1 0 0 0 0 15 63 1 0 0 0 0 16 17 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 17 18 3 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 19 66 1 0 0 0 0 20 42 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 67 1 0 0 0 0 22 38 1 0 0 0 0 22 23 2 0 0 0 0 23 44 1 0 0 0 0 23 24 1 0 0 0 0 24 68 1 0 0 0 0 25 43 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 1 0 0 0 25 69 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 46 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 29 52 1 1 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 72 1 6 0 0 0 30 31 2 0 0 0 0 30 36 1 0 0 0 0 32 33 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 37 1 0 0 0 0 36 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 40 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 41 89 1 0 0 0 0 42 90 1 0 0 0 0 43 91 1 0 0 0 0 44 45 1 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 46 47 2 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 95 1 0 0 0 0 48 49 2 0 0 0 0 48 96 1 0 0 0 0 49 50 1 0 0 0 0 49 97 1 0 0 0 0 50 51 2 0 0 0 0 50 98 1 0 0 0 0 51 99 1 0 0 0 0 52100 1 0 0 0 0 M END > 688363 > K $$$$ 688795 1016 111283D 688795 28 29 0 1 V2000 0.0886 1.5859 0.2986 C 0 0 0 0 0 0 0 0 0 -0.1277 0.2361 0.0626 C 0 0 0 0 0 0 0 0 0 0.9179 -0.6185 -0.2777 C 0 0 0 0 0 0 0 0 0 2.2082 -0.1038 -0.3826 C 0 0 0 0 0 0 0 0 0 2.4363 1.2509 -0.1473 C 0 0 0 0 0 0 0 0 0 1.3813 2.0848 0.1904 C 0 0 0 0 0 0 0 0 0 3.3907 -0.9700 -0.7476 C 0 0 0 0 0 0 0 0 0 4.5973 -0.3951 -0.8267 C 0 0 0 0 0 0 0 0 0 4.7301 1.0702 -0.5537 C 0 0 0 0 0 0 0 0 0 3.6612 1.8462 -0.2252 O 0 0 0 0 0 0 0 0 0 5.8211 1.5815 -0.6269 O 0 0 0 0 0 0 0 0 0 3.2554 -2.4432 -1.0219 C 0 0 0 0 0 0 0 0 0 -1.0095 2.3283 0.6247 O 0 0 0 0 0 0 0 0 0 -0.8363 3.7110 0.8704 C 0 0 0 0 0 0 0 0 0 0.7485 -1.9529 -0.5182 O 0 0 0 0 0 0 0 0 0 -0.5423 -2.5233 -0.4214 C 0 0 0 0 0 0 0 0 0 -1.1071 -0.1268 0.1477 H 0 0 0 0 0 0 0 0 0 1.5805 3.0995 0.3621 H 0 0 0 0 0 0 0 0 0 5.4510 -0.9519 -1.0764 H 0 0 0 0 0 0 0 0 0 4.2098 -2.8870 -1.2655 H 0 0 0 0 0 0 0 0 0 2.8591 -2.9371 -0.1468 H 0 0 0 0 0 0 0 0 0 2.5829 -2.5940 -1.8536 H 0 0 0 0 0 0 0 0 0 -1.7965 4.1442 1.1092 H 0 0 0 0 0 0 0 0 0 -0.1725 3.8689 1.7090 H 0 0 0 0 0 0 0 0 0 -0.4462 4.2084 -0.0066 H 0 0 0 0 0 0 0 0 0 -0.4678 -3.5776 -0.6455 H 0 0 0 0 0 0 0 0 0 -0.9347 -2.4133 0.5796 H 0 0 0 0 0 0 0 0 0 -1.2154 -2.0687 -1.1346 H 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END > 688795 > K $$$$ 689132 1016 111283D 689132 68 74 1 1 V2000 4.3767 -0.1732 1.5242 C 0 0 0 0 0 0 0 0 0 3.9723 0.6034 0.4132 C 0 0 0 0 0 0 0 0 0 4.6109 1.8637 0.5544 C 0 0 0 0 0 0 0 0 0 5.3803 1.8066 1.7069 C 0 0 0 0 0 0 0 0 0 3.0976 0.0721 -0.5477 C 0 0 0 0 0 0 0 0 0 2.6583 -1.2304 -0.3536 C 0 0 0 0 0 0 0 0 0 3.0620 -1.9864 0.7431 C 0 0 0 0 0 0 0 0 0 3.9255 -1.4796 1.7033 C 0 0 0 0 0 0 0 0 0 6.1310 3.0472 1.9629 C 0 0 2 0 0 0 0 0 0 6.9958 3.3192 0.6953 C 0 0 1 0 0 0 0 0 0 6.0847 3.6080 -0.4731 C 0 0 1 0 0 0 0 0 0 4.6299 3.1717 -0.1884 C 0 0 1 0 0 0 0 0 0 6.0266 5.0826 -0.8758 C 0 0 0 0 0 0 0 0 0 5.2659 5.1550 -2.2084 C 0 0 1 0 0 0 0 0 0 3.8645 4.5605 -2.0746 C 0 0 0 0 0 0 0 0 0 3.9232 3.1207 -1.5421 C 0 0 0 0 0 0 0 0 0 5.1522 6.5935 -2.6361 C 0 0 0 0 0 0 0 0 0 5.7054 7.0030 -3.8371 C 0 0 0 0 0 0 0 0 0 5.6019 8.3270 -4.2306 C 0 0 0 0 0 0 0 0 0 4.9455 9.2403 -3.4222 C 0 0 0 0 0 0 0 0 0 4.3918 8.8294 -2.2207 C 0 0 0 0 0 0 0 0 0 4.4921 7.5052 -1.8292 C 0 0 0 0 0 0 0 0 0 7.1188 3.2641 3.0363 C 0 0 0 0 0 0 0 0 0 7.9609 4.2329 2.5683 N 0 0 0 0 0 0 0 0 0 7.8051 4.4735 1.2360 C 0 0 0 0 0 0 0 0 0 8.8846 4.9032 3.3702 C 0 0 0 0 0 0 0 0 0 8.5622 5.2234 4.6845 C 0 0 0 0 0 0 0 0 0 9.4788 5.8897 5.4802 C 0 0 0 0 0 0 0 0 0 10.7201 6.2377 4.9635 C 0 0 0 0 0 0 0 0 0 11.0439 5.9194 3.6521 C 0 0 0 0 0 0 0 0 0 10.1302 5.2497 2.8577 C 0 0 0 0 0 0 0 0 0 7.1724 2.7027 4.1094 O 0 0 0 0 0 0 0 0 0 8.2310 5.4249 0.6144 O 0 0 0 0 0 0 0 0 0 5.2263 0.5949 2.2859 N 0 0 0 0 0 0 0 0 0 11.6211 6.8923 5.7459 O 0 0 0 0 0 0 0 0 0 12.9224 7.2393 5.2148 C 0 0 0 0 0 0 0 0 0 1.8085 -1.7852 -1.2600 O 0 0 0 0 0 0 0 0 0 1.3613 -1.0124 -2.3996 C 0 0 0 0 0 0 0 0 0 2.7780 0.6467 -1.4010 H 0 0 0 0 0 0 0 0 0 2.6944 -2.9912 0.8496 H 0 0 0 0 0 0 0 0 0 4.2307 -2.0736 2.5475 H 0 0 0 0 0 0 0 0 0 5.4070 3.8590 2.0267 H 0 0 0 0 0 0 0 0 0 7.6331 2.4625 0.4735 H 0 0 0 0 0 0 0 0 0 6.4454 3.0447 -1.3322 H 0 0 0 0 0 0 0 0 0 4.1469 3.9313 0.4283 H 0 0 0 0 0 0 0 0 0 5.4982 5.6552 -0.1140 H 0 0 0 0 0 0 0 0 0 7.0348 5.4741 -1.0030 H 0 0 0 0 0 0 0 0 0 5.8177 4.5995 -2.9657 H 0 0 0 0 0 0 0 0 0 3.2820 5.1725 -1.3868 H 0 0 0 0 0 0 0 0 0 3.3818 4.5620 -3.0504 H 0 0 0 0 0 0 0 0 0 4.4869 2.4923 -2.2311 H 0 0 0 0 0 0 0 0 0 2.9145 2.7286 -1.4208 H 0 0 0 0 0 0 0 0 0 6.2149 6.2938 -4.4648 H 0 0 0 0 0 0 0 0 0 6.0314 8.6460 -5.1633 H 0 0 0 0 0 0 0 0 0 4.8659 10.2684 -3.7273 H 0 0 0 0 0 0 0 0 0 3.8829 9.5386 -1.5928 H 0 0 0 0 0 0 0 0 0 4.0589 7.1852 -0.8982 H 0 0 0 0 0 0 0 0 0 7.6002 4.9539 5.0833 H 0 0 0 0 0 0 0 0 0 9.2284 6.1368 6.4965 H 0 0 0 0 0 0 0 0 0 12.0054 6.1908 3.2530 H 0 0 0 0 0 0 0 0 0 10.3832 4.9982 1.8428 H 0 0 0 0 0 0 0 0 0 5.6476 0.3145 3.1095 H 0 0 0 0 0 0 0 0 0 13.5026 7.7552 5.9800 H 0 0 0 0 0 0 0 0 0 13.4477 6.3332 4.9128 H 0 0 0 0 0 0 0 0 0 12.8025 7.8929 4.3506 H 0 0 0 0 0 0 0 0 0 2.2215 -0.7112 -2.9977 H 0 0 0 0 0 0 0 0 0 0.6910 -1.6177 -3.0102 H 0 0 0 0 0 0 0 0 0 0.8321 -0.1241 -2.0544 H 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 3 12 1 0 0 0 0 3 4 2 0 0 0 0 4 34 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 37 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 9 23 1 0 0 0 0 9 10 1 6 0 0 0 9 42 1 1 0 0 0 10 25 1 0 0 0 0 10 11 1 1 0 0 0 10 43 1 6 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 11 44 1 6 0 0 0 12 16 1 6 0 0 0 12 45 1 1 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 1 0 0 0 14 48 1 6 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 23 32 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 33 2 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 29 35 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 M END > 689132 > K $$$$ 689138 1016 111283D 689138 77 83 1 1 V2000 0.9814 1.2101 0.6729 C 0 0 0 0 0 0 0 0 0 1.7428 2.1779 -0.0087 C 0 0 0 0 0 0 0 0 0 0.8337 3.1622 -0.4544 C 0 0 0 0 0 0 0 0 0 -0.4251 2.7900 -0.0214 C 0 0 0 0 0 0 0 0 0 3.1342 2.0313 -0.1327 C 0 0 0 0 0 0 0 0 0 3.7078 0.9003 0.4396 C 0 0 0 0 0 0 0 0 0 2.9430 -0.0517 1.1124 C 0 0 0 0 0 0 0 0 0 1.5647 0.0790 1.2440 C 0 0 0 0 0 0 0 0 0 -1.4831 3.7507 -0.3873 C 0 0 2 0 0 0 0 0 0 -1.0568 5.1280 0.1950 C 0 0 1 0 0 0 0 0 0 0.2060 5.5925 -0.4985 C 0 0 1 0 0 0 0 0 0 0.9016 4.4403 -1.2564 C 0 0 1 0 0 0 0 0 0 -0.0143 6.7134 -1.5144 C 0 0 0 0 0 0 0 0 0 1.3741 7.2215 -1.9295 C 0 0 1 0 0 0 0 0 0 2.2180 6.0909 -2.5216 C 0 0 0 0 0 0 0 0 0 2.3233 4.9106 -1.5459 C 0 0 0 0 0 0 0 0 0 -2.8986 3.6923 0.0197 C 0 0 0 0 0 0 0 0 0 -3.3427 4.9852 -0.0005 N 0 0 0 0 0 0 0 0 0 -2.3238 5.8862 -0.1055 C 0 0 0 0 0 0 0 0 0 -4.6805 5.3409 0.0787 C 0 0 0 0 0 0 0 0 0 -5.0598 6.4789 0.7868 C 0 0 0 0 0 0 0 0 0 -6.3977 6.8330 0.8675 C 0 0 0 0 0 0 0 0 0 -7.3599 6.0521 0.2416 C 0 0 0 0 0 0 0 0 0 -6.9878 4.9145 -0.4671 C 0 0 0 0 0 0 0 0 0 -5.6484 4.5614 -0.5506 C 0 0 0 0 0 0 0 0 0 -3.5382 2.7045 0.3098 O 0 0 0 0 0 0 0 0 0 -2.4259 7.0631 -0.3881 O 0 0 0 0 0 0 0 0 0 -0.3380 1.6095 0.6425 N 0 0 0 0 0 0 0 0 0 -8.6747 6.4012 0.3208 O 0 0 0 0 0 0 0 0 0 -9.0633 7.5813 1.0547 C 0 0 0 0 0 0 0 0 0 1.2140 8.3275 -2.9740 C 0 0 0 0 0 0 0 0 0 0.4038 9.4802 -2.3753 C 0 0 0 0 0 0 0 0 0 2.5948 8.8391 -3.3926 C 0 0 0 0 0 0 0 0 0 5.0534 0.7150 0.3428 O 0 0 0 0 0 0 0 0 0 5.7835 1.3035 -0.7540 C 0 0 0 0 0 0 0 0 0 7.1025 0.5944 -0.9182 C 0 0 0 0 0 0 0 0 0 7.2783 -0.3092 -1.9554 C 0 0 0 0 0 0 0 0 0 8.4929 -0.9630 -2.1053 C 0 0 0 0 0 0 0 0 0 9.5296 -0.7134 -1.2172 C 0 0 0 0 0 0 0 0 0 9.3520 0.1913 -0.1798 C 0 0 0 0 0 0 0 0 0 8.1385 0.8475 -0.0315 C 0 0 0 0 0 0 0 0 0 3.7390 2.7557 -0.6463 H 0 0 0 0 0 0 0 0 0 3.4284 -0.9059 1.5375 H 0 0 0 0 0 0 0 0 0 0.9861 -0.6606 1.7632 H 0 0 0 0 0 0 0 0 0 -1.4670 3.8500 -1.4720 H 0 0 0 0 0 0 0 0 0 -0.8876 5.0568 1.2706 H 0 0 0 0 0 0 0 0 0 0.8918 5.9621 0.2602 H 0 0 0 0 0 0 0 0 0 0.3856 4.2803 -2.2057 H 0 0 0 0 0 0 0 0 0 -0.5458 6.3291 -2.3838 H 0 0 0 0 0 0 0 0 0 -0.5827 7.5213 -1.0586 H 0 0 0 0 0 0 0 0 0 1.8834 7.6253 -1.0562 H 0 0 0 0 0 0 0 0 0 1.7566 5.7511 -3.4472 H 0 0 0 0 0 0 0 0 0 3.2156 6.4661 -2.7362 H 0 0 0 0 0 0 0 0 0 2.8010 5.2333 -0.6217 H 0 0 0 0 0 0 0 0 0 2.8964 4.1051 -1.9996 H 0 0 0 0 0 0 0 0 0 -4.3175 7.0812 1.2707 H 0 0 0 0 0 0 0 0 0 -6.6874 7.7088 1.4126 H 0 0 0 0 0 0 0 0 0 -7.7307 4.3114 -0.9485 H 0 0 0 0 0 0 0 0 0 -5.3590 3.6887 -1.1009 H 0 0 0 0 0 0 0 0 0 -1.0809 1.1313 1.0279 H 0 0 0 0 0 0 0 0 0 -10.1460 7.7004 1.0090 H 0 0 0 0 0 0 0 0 0 -8.7567 7.4851 2.0965 H 0 0 0 0 0 0 0 0 0 -8.5870 8.4599 0.6192 H 0 0 0 0 0 0 0 0 0 0.6940 7.9321 -3.8449 H 0 0 0 0 0 0 0 0 0 0.9239 9.8744 -1.5040 H 0 0 0 0 0 0 0 0 0 0.2896 10.2667 -3.1177 H 0 0 0 0 0 0 0 0 0 -0.5783 9.1178 -2.0785 H 0 0 0 0 0 0 0 0 0 3.1710 8.0206 -3.8195 H 0 0 0 0 0 0 0 0 0 2.4802 9.6257 -4.1349 H 0 0 0 0 0 0 0 0 0 3.1146 9.2333 -2.5212 H 0 0 0 0 0 0 0 0 0 5.2078 1.2081 -1.6744 H 0 0 0 0 0 0 0 0 0 5.9663 2.3585 -0.5513 H 0 0 0 0 0 0 0 0 0 6.4783 -0.5016 -2.6406 H 0 0 0 0 0 0 0 0 0 8.6303 -1.6604 -2.9060 H 0 0 0 0 0 0 0 0 0 10.4666 -1.2185 -1.3325 H 0 0 0 0 0 0 0 0 0 10.1515 0.3832 0.5061 H 0 0 0 0 0 0 0 0 0 8.0027 1.5484 0.7664 H 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 3 12 1 0 0 0 0 3 4 2 0 0 0 0 4 28 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 42 1 0 0 0 0 6 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 8 44 1 0 0 0 0 9 17 1 0 0 0 0 9 10 1 6 0 0 0 9 45 1 1 0 0 0 10 19 1 0 0 0 0 10 11 1 1 0 0 0 10 46 1 6 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 11 47 1 6 0 0 0 12 16 1 6 0 0 0 12 48 1 1 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 31 1 0 0 0 0 14 15 1 1 0 0 0 14 51 1 6 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 26 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 27 2 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 22 23 2 0 0 0 0 22 57 1 0 0 0 0 23 29 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 37 2 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 73 1 0 0 0 0 38 39 2 0 0 0 0 38 74 1 0 0 0 0 39 40 1 0 0 0 0 39 75 1 0 0 0 0 40 41 2 0 0 0 0 40 76 1 0 0 0 0 41 77 1 0 0 0 0 M END > 689138 > $$$$ 689228 1016 111283D 689228 73 73 1 1 V2000 -9.2777 3.7255 -2.4196 C 0 0 1 0 0 0 0 0 0 -10.7916 3.9333 -2.4369 C 0 0 0 0 0 0 0 0 0 -8.5895 4.4467 -1.2940 C 0 0 0 0 0 0 0 0 0 -7.3376 4.8959 -1.4534 C 0 0 0 0 0 0 0 0 0 -6.6152 5.6303 -0.3626 C 0 0 1 0 0 0 0 0 0 -5.7558 6.7441 -0.9494 C 0 0 0 0 0 0 0 0 0 -4.9761 7.5081 0.1258 C 0 0 0 0 0 0 0 0 0 -4.0448 8.5765 -0.4529 C 0 0 0 0 0 0 0 0 0 -4.7254 9.6381 -1.3218 C 0 0 0 0 0 0 0 0 0 -5.8265 10.3875 -0.5716 C 0 0 0 0 0 0 0 0 0 -11.2224 2.6657 -3.0913 C 0 0 0 0 0 0 0 0 0 -10.1475 1.6668 -3.3159 C 0 0 0 0 0 0 0 0 0 -9.0904 2.2118 -2.3849 C 0 0 1 0 0 0 0 0 0 -12.3664 2.4645 -3.4144 O 0 0 0 0 0 0 0 0 0 -7.9104 1.9687 -3.0965 O 0 0 0 0 0 0 0 0 0 -6.8183 1.0555 -2.3910 Si 0 0 0 0 0 0 0 0 0 -5.3228 2.0806 -2.6552 C 0 0 0 0 0 0 0 0 0 -7.0643 1.0029 -0.5661 C 0 0 0 0 0 0 0 0 0 -6.6107 -0.6853 -3.1809 C 0 0 0 0 0 0 0 0 0 -5.4362 -1.4748 -2.5722 C 0 0 0 0 0 0 0 0 0 -7.8452 -1.5946 -3.0333 C 0 0 0 0 0 0 0 0 0 -6.3286 -0.6181 -4.6939 C 0 0 0 0 0 0 0 0 0 -7.5681 6.3020 0.4255 O 0 0 0 0 0 0 0 0 0 -7.6620 5.8479 1.7527 C 0 0 0 0 0 0 0 0 0 -8.6333 6.7442 2.2309 O 0 0 0 0 0 0 0 0 0 -8.3176 8.0859 1.8648 C 0 0 0 0 0 0 0 0 0 -9.3414 9.0761 2.4070 C 0 0 0 0 0 0 0 0 0 -8.9031 10.4166 2.1925 O 0 0 0 0 0 0 0 0 0 -9.7731 11.2164 1.4129 C 0 0 0 0 0 0 0 0 0 -8.8637 4.0426 -3.3680 H 0 0 0 0 0 0 0 0 0 -11.2213 3.9787 -1.4477 H 0 0 0 0 0 0 0 0 0 -11.0728 4.7964 -3.0210 H 0 0 0 0 0 0 0 0 0 -9.0896 4.5996 -0.3814 H 0 0 0 0 0 0 0 0 0 -6.8481 4.7288 -2.3668 H 0 0 0 0 0 0 0 0 0 -5.9834 4.9344 0.1757 H 0 0 0 0 0 0 0 0 0 -5.0690 6.3283 -1.6712 H 0 0 0 0 0 0 0 0 0 -6.4302 7.4247 -1.4482 H 0 0 0 0 0 0 0 0 0 -5.6821 7.9806 0.7929 H 0 0 0 0 0 0 0 0 0 -4.3804 6.8152 0.7034 H 0 0 0 0 0 0 0 0 0 -3.5572 9.0780 0.3721 H 0 0 0 0 0 0 0 0 0 -3.2826 8.0890 -1.0445 H 0 0 0 0 0 0 0 0 0 -3.9745 10.3514 -1.6339 H 0 0 0 0 0 0 0 0 0 -5.1391 9.1816 -2.2107 H 0 0 0 0 0 0 0 0 0 -6.6370 9.7170 -0.3238 H 0 0 0 0 0 0 0 0 0 -5.4349 10.8152 0.3402 H 0 0 0 0 0 0 0 0 0 -6.2167 11.1815 -1.1916 H 0 0 0 0 0 0 0 0 0 -10.4500 0.6640 -3.0689 H 0 0 0 0 0 0 0 0 0 -9.7958 1.7359 -4.3330 H 0 0 0 0 0 0 0 0 0 -9.2278 1.8204 -1.3849 H 0 0 0 0 0 0 0 0 0 -5.2338 2.2293 -3.7184 H 0 0 0 0 0 0 0 0 0 -5.4831 3.0219 -2.1622 H 0 0 0 0 0 0 0 0 0 -4.4640 1.5710 -2.2543 H 0 0 0 0 0 0 0 0 0 -7.1747 2.0167 -0.2185 H 0 0 0 0 0 0 0 0 0 -7.9410 0.4157 -0.3491 H 0 0 0 0 0 0 0 0 0 -6.1940 0.5455 -0.1259 H 0 0 0 0 0 0 0 0 0 -5.3423 -2.4458 -3.0405 H 0 0 0 0 0 0 0 0 0 -4.5064 -0.9423 -2.7189 H 0 0 0 0 0 0 0 0 0 -5.5881 -1.6259 -1.5125 H 0 0 0 0 0 0 0 0 0 -7.6676 -2.5591 -3.4913 H 0 0 0 0 0 0 0 0 0 -8.0846 -1.7534 -1.9914 H 0 0 0 0 0 0 0 0 0 -8.6973 -1.1434 -3.5237 H 0 0 0 0 0 0 0 0 0 -7.1531 -0.1309 -5.1982 H 0 0 0 0 0 0 0 0 0 -5.4312 -0.0480 -4.8900 H 0 0 0 0 0 0 0 0 0 -6.2046 -1.6062 -5.1161 H 0 0 0 0 0 0 0 0 0 -8.0265 4.8308 1.8165 H 0 0 0 0 0 0 0 0 0 -6.7341 5.9497 2.3027 H 0 0 0 0 0 0 0 0 0 -7.3621 8.3922 2.2644 H 0 0 0 0 0 0 0 0 0 -8.3035 8.2299 0.7927 H 0 0 0 0 0 0 0 0 0 -10.2901 8.8387 1.9461 H 0 0 0 0 0 0 0 0 0 -9.4247 8.8886 3.4673 H 0 0 0 0 0 0 0 0 0 -9.3481 12.2069 1.3324 H 0 0 0 0 0 0 0 0 0 -9.8839 10.8129 0.4156 H 0 0 0 0 0 0 0 0 0 -10.7445 11.2997 1.8809 H 0 0 0 0 0 0 0 0 0 1 13 1 6 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 1 30 1 1 0 0 0 2 11 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 23 1 0 0 0 0 5 6 1 6 0 0 0 5 35 1 1 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 14 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 15 1 1 0 0 0 13 49 1 6 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 28 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 M END > 689228 > K $$$$ 689857 1016 111283D 689857 59 63 0 1 V2000 -0.1158 2.2273 -0.3169 C 0 0 0 0 0 0 0 0 0 -1.0473 3.1971 0.0274 C 0 0 0 0 0 0 0 0 0 -0.6313 4.4738 0.3766 C 0 0 0 0 0 0 0 0 0 0.7256 4.7772 0.3763 C 0 0 0 0 0 0 0 0 0 1.6622 3.8082 0.0332 C 0 0 0 0 0 0 0 0 0 1.2417 2.5287 -0.3134 C 0 0 0 0 0 0 0 0 0 3.1266 4.1522 0.0382 C 0 0 0 0 0 0 0 0 0 2.1769 1.5993 -0.6426 O 0 0 0 0 0 0 0 0 0 -1.5777 5.3897 0.7095 O 0 0 0 0 0 0 0 0 0 3.4227 5.1441 -0.9638 N 0 0 0 0 0 0 0 0 0 4.6541 5.7122 -1.1229 C 0 0 0 0 0 0 0 0 0 5.7519 5.3583 -0.3436 C 0 0 0 0 0 0 0 0 0 6.9866 5.9623 -0.5485 C 0 0 0 0 0 0 0 0 0 7.1361 6.9282 -1.5370 C 0 0 0 0 0 0 0 0 0 6.0425 7.2886 -2.3144 C 0 0 0 0 0 0 0 0 0 4.8108 6.6831 -2.1052 C 0 0 0 0 0 0 0 0 0 8.4704 7.5797 -1.7642 C 0 0 0 0 0 0 0 0 0 8.6016 8.3980 -2.6446 O 0 0 0 0 0 0 0 0 0 9.5213 7.2377 -0.9718 O 0 0 0 0 0 0 0 0 0 10.7250 7.8955 -1.3151 C 0 0 0 0 0 0 0 0 0 11.7827 7.4922 -0.2844 C 0 0 0 0 0 0 0 0 0 13.1470 8.1302 -0.5995 C 0 0 0 0 0 0 0 0 0 14.1794 7.7066 0.4568 C 0 0 0 0 0 0 0 0 0 14.3216 6.1781 0.4544 C 0 0 0 0 0 0 0 0 0 12.9649 5.5353 0.7743 C 0 0 0 0 0 0 0 0 0 12.4875 6.0000 2.1575 C 0 0 0 0 0 0 0 0 0 11.3288 7.9568 1.1104 C 0 0 0 0 0 0 0 0 0 12.3547 7.5293 2.1685 C 0 0 0 0 0 0 0 0 0 11.9401 5.9616 -0.2854 C 0 0 0 0 0 0 0 0 0 13.7143 8.1646 1.8463 C 0 0 0 0 0 0 0 0 0 -0.4399 1.2641 -0.5802 H 0 0 0 0 0 0 0 0 0 -2.0736 2.9733 0.0265 H 0 0 0 0 0 0 0 0 0 1.0447 5.7441 0.6362 H 0 0 0 0 0 0 0 0 0 3.3799 4.5270 1.0197 H 0 0 0 0 0 0 0 0 0 3.7143 3.2647 -0.1539 H 0 0 0 0 0 0 0 0 0 1.7689 0.7727 -0.8743 H 0 0 0 0 0 0 0 0 0 -1.1756 6.2226 0.9312 H 0 0 0 0 0 0 0 0 0 2.7074 5.4221 -1.5609 H 0 0 0 0 0 0 0 0 0 5.6563 4.6303 0.4059 H 0 0 0 0 0 0 0 0 0 7.8078 5.6860 0.0472 H 0 0 0 0 0 0 0 0 0 6.1456 8.0209 -3.0619 H 0 0 0 0 0 0 0 0 0 3.9896 6.9631 -2.6975 H 0 0 0 0 0 0 0 0 0 11.0425 7.5955 -2.3044 H 0 0 0 0 0 0 0 0 0 10.5923 8.9693 -1.2974 H 0 0 0 0 0 0 0 0 0 13.4840 7.8145 -1.5772 H 0 0 0 0 0 0 0 0 0 13.0578 9.2077 -0.6017 H 0 0 0 0 0 0 0 0 0 15.1353 8.1571 0.2296 H 0 0 0 0 0 0 0 0 0 14.6646 5.8439 -0.5148 H 0 0 0 0 0 0 0 0 0 15.0490 5.8774 1.1953 H 0 0 0 0 0 0 0 0 0 13.0631 4.4588 0.7689 H 0 0 0 0 0 0 0 0 0 11.5304 5.5500 2.3825 H 0 0 0 0 0 0 0 0 0 13.1976 5.6905 2.9118 H 0 0 0 0 0 0 0 0 0 11.2286 9.0336 1.1232 H 0 0 0 0 0 0 0 0 0 10.3673 7.5211 1.3471 H 0 0 0 0 0 0 0 0 0 12.0234 7.8565 3.1439 H 0 0 0 0 0 0 0 0 0 10.9891 5.4945 -0.0708 H 0 0 0 0 0 0 0 0 0 12.2703 5.6270 -1.2594 H 0 0 0 0 0 0 0 0 0 14.4393 7.8663 2.5905 H 0 0 0 0 0 0 0 0 0 13.6288 9.2419 1.8662 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 9 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 29 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 M END > 689857 > K $$$$ 689872 1016 111283D 689872 43 46 0 2 V2000 5.7828 1.7071 -3.1326 C 0 0 0 0 0 0 0 0 0 6.0581 0.3477 -3.2020 C 0 0 0 0 0 0 0 0 0 5.5433 -0.5079 -2.2391 C 0 0 0 0 0 0 0 0 0 4.7464 -0.0054 -1.2192 C 0 0 0 0 0 0 0 0 0 4.4447 1.3540 -1.1514 C 0 0 0 0 0 0 0 0 0 4.9862 2.2068 -2.1100 C 0 0 0 0 0 0 0 0 0 4.2644 -0.8559 -0.2877 N 0 0 0 0 0 0 0 0 0 3.4927 -0.4280 0.7348 C 0 0 0 0 0 0 0 0 0 3.1495 0.9172 0.8343 C 0 0 0 0 0 0 0 0 0 3.6175 1.8108 -0.1255 C 0 0 0 0 0 0 0 0 0 3.0451 -1.3383 1.6821 C 0 0 0 0 0 0 0 0 0 2.2494 -0.9108 2.7372 C 0 0 0 0 0 0 0 0 0 1.8948 0.4309 2.8467 C 0 0 0 0 0 0 0 0 0 2.3440 1.3300 1.8904 C 0 0 0 0 0 0 0 0 0 6.8246 -0.1651 -4.1966 N 0 3 0 0 0 0 0 0 0 7.3023 0.5657 -5.0927 O 0 0 0 0 0 0 0 0 0 7.0895 -1.5987 -4.2112 O 0 5 0 0 0 0 0 0 0 3.2565 3.1244 -0.0428 N 0 0 0 0 0 0 0 0 0 1.1233 0.9681 3.8349 O 0 0 0 0 0 0 0 0 0 0.6161 0.1161 4.8414 C 0 0 0 0 0 0 0 0 0 2.6531 5.2237 -1.2759 C 0 0 0 0 0 0 0 0 0 1.7735 5.8385 -2.1594 C 0 0 0 0 0 0 0 0 0 1.6949 7.2237 -2.2265 C 0 0 0 0 0 0 0 0 0 2.5037 8.0043 -1.4115 C 0 0 0 0 0 0 0 0 0 3.3885 7.3970 -0.5303 C 0 0 0 0 0 0 0 0 0 3.4625 6.0111 -0.4641 C 0 0 0 0 0 0 0 0 0 2.7061 3.8632 -1.2253 N 0 0 0 0 0 0 0 0 0 6.1776 2.3596 -3.8549 H 0 0 0 0 0 0 0 0 0 5.7588 -1.5356 -2.2854 H 0 0 0 0 0 0 0 0 0 4.8007 3.2395 -2.0724 H 0 0 0 0 0 0 0 0 0 3.3107 -2.3511 1.5981 H 0 0 0 0 0 0 0 0 0 1.9206 -1.6094 3.4472 H 0 0 0 0 0 0 0 0 0 2.0582 2.3348 1.9859 H 0 0 0 0 0 0 0 0 0 3.3517 3.5863 0.8079 H 0 0 0 0 0 0 0 0 0 0.0389 0.7147 5.5311 H 0 0 0 0 0 0 0 0 0 -0.0315 -0.6353 4.4125 H 0 0 0 0 0 0 0 0 0 1.4224 -0.3542 5.3858 H 0 0 0 0 0 0 0 0 0 1.1618 5.2522 -2.7793 H 0 0 0 0 0 0 0 0 0 1.0236 7.6803 -2.8932 H 0 0 0 0 0 0 0 0 0 2.4462 9.0523 -1.4617 H 0 0 0 0 0 0 0 0 0 4.0020 7.9866 0.0861 H 0 0 0 0 0 0 0 0 0 4.1371 5.5621 0.2025 H 0 0 0 0 0 0 0 0 0 2.3689 3.3545 -1.9829 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 10 1 0 0 0 0 5 6 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 19 1 0 0 0 0 13 14 2 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 18 27 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 27 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 2 15 1 17 -1 M END > 689872 > K $$$$ 690116 1016 111283D 690116 63 66 0 1 V2000 3.7604 5.3859 -6.4941 N 0 0 0 0 0 0 0 0 0 3.7975 4.0404 -6.3781 C 0 0 0 0 0 0 0 0 0 4.1712 6.1580 -5.4633 C 0 0 0 0 0 0 0 0 0 3.6049 6.0977 -4.3958 O 0 0 0 0 0 0 0 0 0 5.3365 7.0987 -5.6510 C 0 0 0 0 0 0 0 0 0 3.3066 5.9728 -7.6717 C 0 0 0 0 0 0 0 0 0 2.2645 6.8934 -7.6368 C 0 0 0 0 0 0 0 0 0 1.8142 7.4757 -8.8107 C 0 0 0 0 0 0 0 0 0 2.4018 7.1410 -10.0207 C 0 0 0 0 0 0 0 0 0 3.4408 6.2240 -10.0601 C 0 0 0 0 0 0 0 0 0 3.8969 5.6423 -8.8883 C 0 0 0 0 0 0 0 0 0 3.6010 3.3444 -7.3505 O 0 0 0 0 0 0 0 0 0 4.0543 3.4705 -5.1779 N 0 0 0 0 0 0 0 0 0 5.1982 2.5714 -5.0124 C 0 0 0 0 0 0 0 0 0 4.7051 1.2483 -4.4165 C 0 0 0 0 0 0 0 0 0 3.9319 1.5325 -3.1258 C 0 0 0 0 0 0 0 0 0 2.7152 2.4080 -3.4400 C 0 0 0 0 0 0 0 0 0 3.1930 3.7452 -4.0246 C 0 0 0 0 0 0 0 0 0 6.1132 6.6839 -6.7980 O 0 0 0 0 0 0 0 0 0 4.8097 8.5192 -5.8711 C 0 0 0 0 0 0 0 0 0 6.2155 7.0705 -4.3972 C 0 0 0 0 0 0 0 0 0 7.0912 7.4956 -7.2850 C 0 0 0 0 0 0 0 0 0 8.3679 7.4440 -6.7415 C 0 0 0 0 0 0 0 0 0 9.3633 8.2703 -7.2389 C 0 0 0 0 0 0 0 0 0 9.0807 9.1461 -8.2747 C 0 0 0 0 0 0 0 0 0 7.8068 9.1994 -8.8174 C 0 0 0 0 0 0 0 0 0 6.8108 8.3714 -8.3249 C 0 0 0 0 0 0 0 0 0 10.3281 10.1806 -8.8955 Cl 0 0 0 0 0 0 0 0 0 3.4716 0.2342 -2.5201 C 0 0 0 0 0 0 0 0 0 3.8833 -0.1181 -1.2454 C 0 0 0 0 0 0 0 0 0 3.4602 -1.3142 -0.6876 C 0 0 0 0 0 0 0 0 0 2.6264 -2.1569 -1.4055 C 0 0 0 0 0 0 0 0 0 2.2147 -1.8030 -2.6808 C 0 0 0 0 0 0 0 0 0 2.6348 -0.6058 -3.2371 C 0 0 0 0 0 0 0 0 0 1.8078 7.1531 -6.6995 H 0 0 0 0 0 0 0 0 0 1.0097 8.1864 -8.7832 H 0 0 0 0 0 0 0 0 0 2.0518 7.5936 -10.9295 H 0 0 0 0 0 0 0 0 0 3.8932 5.9655 -10.9990 H 0 0 0 0 0 0 0 0 0 4.7058 4.9359 -8.9195 H 0 0 0 0 0 0 0 0 0 5.6649 2.3835 -5.9788 H 0 0 0 0 0 0 0 0 0 5.9254 3.0250 -4.3378 H 0 0 0 0 0 0 0 0 0 4.0497 0.7513 -5.1305 H 0 0 0 0 0 0 0 0 0 5.5566 0.6069 -4.1958 H 0 0 0 0 0 0 0 0 0 4.5802 2.0523 -2.4218 H 0 0 0 0 0 0 0 0 0 2.0793 1.8993 -4.1636 H 0 0 0 0 0 0 0 0 0 2.1531 2.5897 -2.5255 H 0 0 0 0 0 0 0 0 0 3.7569 4.2949 -3.2700 H 0 0 0 0 0 0 0 0 0 2.3316 4.3355 -4.3380 H 0 0 0 0 0 0 0 0 0 4.3025 8.8641 -4.9717 H 0 0 0 0 0 0 0 0 0 5.6443 9.1826 -6.0946 H 0 0 0 0 0 0 0 0 0 4.1111 8.5209 -6.7063 H 0 0 0 0 0 0 0 0 0 6.6960 6.0967 -4.3140 H 0 0 0 0 0 0 0 0 0 6.9765 7.8460 -4.4723 H 0 0 0 0 0 0 0 0 0 5.6008 7.2490 -3.5162 H 0 0 0 0 0 0 0 0 0 8.5860 6.7648 -5.9385 H 0 0 0 0 0 0 0 0 0 10.3518 8.2315 -6.8209 H 0 0 0 0 0 0 0 0 0 7.5910 9.8800 -9.6195 H 0 0 0 0 0 0 0 0 0 5.8241 8.4088 -8.7482 H 0 0 0 0 0 0 0 0 0 4.5294 0.5351 -0.6893 H 0 0 0 0 0 0 0 0 0 3.7787 -1.5882 0.3006 H 0 0 0 0 0 0 0 0 0 2.2990 -3.0840 -0.9735 H 0 0 0 0 0 0 0 0 0 1.5692 -2.4563 -3.2374 H 0 0 0 0 0 0 0 0 0 2.3127 -0.3296 -4.2238 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 29 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 25 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 M END > 690116 > K $$$$ 690634 1016 111283D 690634 61 66 0 2 V2000 -1.8018 4.1634 2.9466 C 0 0 0 0 0 0 0 0 0 -2.5989 4.4394 4.0521 C 0 0 0 0 0 0 0 0 0 -3.4374 5.4943 4.0218 N 0 0 0 0 0 0 0 0 0 -3.5991 6.2439 2.9097 C 0 0 0 0 0 0 0 0 0 -2.8618 5.9940 1.7506 C 0 0 0 0 0 0 0 0 0 -1.8978 4.9840 1.8243 C 0 0 0 0 0 0 0 0 0 -0.9307 3.0769 2.9998 C 0 0 0 0 0 0 0 0 0 -0.8606 2.2805 4.1352 C 0 0 0 0 0 0 0 0 0 -1.6663 2.5614 5.2303 C 0 0 0 0 0 0 0 0 0 -2.5380 3.6416 5.1868 C 0 0 0 0 0 0 0 0 0 -4.5285 7.2723 2.9728 C 0 0 0 0 0 0 0 0 0 -4.7462 8.0766 1.8661 C 0 0 0 0 0 0 0 0 0 -4.0503 7.8169 0.6959 C 0 0 0 0 0 0 0 0 0 -3.1417 6.7669 0.6177 C 0 0 0 0 0 0 0 0 0 -0.1816 8.7189 2.2466 C 0 0 0 0 0 0 0 0 0 -1.3918 9.3637 2.4776 C 0 0 0 0 0 0 0 0 0 -2.1322 9.0302 3.5523 N 0 0 0 0 0 0 0 0 0 -1.6818 8.1605 4.4812 C 0 0 0 0 0 0 0 0 0 -0.4539 7.5120 4.3356 C 0 0 0 0 0 0 0 0 0 0.2453 7.7438 3.1463 C 0 0 0 0 0 0 0 0 0 0.5612 9.0689 1.1205 C 0 0 0 0 0 0 0 0 0 0.1063 10.0503 0.2498 C 0 0 0 0 0 0 0 0 0 -1.0998 10.6922 0.4959 C 0 0 0 0 0 0 0 0 0 -1.8498 10.3472 1.6121 C 0 0 0 0 0 0 0 0 0 -2.4973 7.9428 5.5824 C 0 0 0 0 0 0 0 0 0 -2.0927 7.0709 6.5799 C 0 0 0 0 0 0 0 0 0 -0.8575 6.4509 6.4730 C 0 0 0 0 0 0 0 0 0 -0.0260 6.6890 5.3835 C 0 0 0 0 0 0 0 0 0 -1.0068 4.7446 0.8277 N 0 0 0 0 0 0 0 0 0 1.3593 7.0501 2.7904 N 0 0 0 0 0 0 0 0 0 -2.6039 6.5991 -0.6227 N 0 3 0 0 0 0 0 0 0 -2.3563 7.6003 -1.3337 O 0 0 0 0 0 0 0 0 0 -2.3128 5.2788 -1.1689 O 0 5 0 0 0 0 0 0 0 1.1821 6.0661 5.4643 N 0 3 0 0 0 0 0 0 0 1.2621 4.9262 5.9776 O 0 0 0 0 0 0 0 0 0 2.4048 6.6949 4.9786 O 0 5 0 0 0 0 0 0 0 -0.0231 5.7056 0.4181 C 0 0 0 0 0 0 0 0 0 1.3048 5.3445 1.0899 C 0 0 0 0 0 0 0 0 0 1.3627 5.6279 2.5941 C 0 0 0 0 0 0 0 0 0 -0.3146 2.8446 2.1805 H 0 0 0 0 0 0 0 0 0 -0.1974 1.4650 4.1638 H 0 0 0 0 0 0 0 0 0 -1.6159 1.9573 6.0884 H 0 0 0 0 0 0 0 0 0 -3.1530 3.8566 6.0107 H 0 0 0 0 0 0 0 0 0 -5.0649 7.4404 3.8605 H 0 0 0 0 0 0 0 0 0 -5.4320 8.8715 1.9122 H 0 0 0 0 0 0 0 0 0 -4.2194 8.4233 -0.1462 H 0 0 0 0 0 0 0 0 0 1.4769 8.5966 0.9135 H 0 0 0 0 0 0 0 0 0 0.6770 10.3066 -0.5952 H 0 0 0 0 0 0 0 0 0 -1.4432 11.4370 -0.1606 H 0 0 0 0 0 0 0 0 0 -2.7628 10.8283 1.8060 H 0 0 0 0 0 0 0 0 0 -3.4205 8.4394 5.6570 H 0 0 0 0 0 0 0 0 0 -2.7130 6.8850 7.4077 H 0 0 0 0 0 0 0 0 0 -0.5459 5.7946 7.2333 H 0 0 0 0 0 0 0 0 0 -1.0230 3.8875 0.3700 H 0 0 0 0 0 0 0 0 0 2.1942 7.5278 2.6534 H 0 0 0 0 0 0 0 0 0 0.0935 5.6438 -0.6551 H 0 0 0 0 0 0 0 0 0 -0.3186 6.7119 0.6604 H 0 0 0 0 0 0 0 0 0 1.4871 4.2942 0.9203 H 0 0 0 0 0 0 0 0 0 2.0988 5.9024 0.6183 H 0 0 0 0 0 0 0 0 0 2.2808 5.2202 2.9943 H 0 0 0 0 0 0 0 0 0 0.5434 5.1559 3.1072 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 5 6 2 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 28 1 0 0 0 0 19 20 2 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 34 1 0 0 0 0 29 37 1 0 0 0 0 29 54 1 0 0 0 0 30 39 1 0 0 0 0 30 55 1 0 0 0 0 31 33 1 0 0 0 0 31 32 2 0 0 0 0 34 36 1 0 0 0 0 34 35 2 0 0 0 0 37 38 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 38 39 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 M CHG 4 31 1 33 -1 34 1 36 -1 M END > 690634 > K $$$$ 693053 1016 111283D 693053 28 29 0 1 V2000 0.6791 -0.3045 -0.5534 C 0 0 0 0 0 0 0 0 0 -0.0211 0.8810 -0.6942 C 0 0 0 0 0 0 0 0 0 1.6601 1.2274 0.7535 C 0 0 0 0 0 0 0 0 0 1.7153 -0.0912 0.3382 C 0 0 0 0 0 0 0 0 0 2.5553 3.1797 2.1395 C 0 0 0 0 0 0 0 0 0 2.6078 1.8660 1.7261 C 0 0 0 0 0 0 0 0 0 3.6574 1.2074 2.3301 O 0 0 0 0 0 0 0 0 0 4.2053 2.0852 3.0734 N 0 0 0 0 0 0 0 0 0 3.6144 3.2930 3.0102 C 0 0 0 0 0 0 0 0 0 0.5891 1.8259 0.1143 N 0 0 0 0 0 0 0 0 0 4.0418 4.5203 3.7558 C 0 0 0 0 0 0 0 0 0 -1.2247 1.0715 -1.5769 C 0 0 0 0 0 0 0 0 0 -1.7706 2.1490 -1.6340 O 0 0 0 0 0 0 0 0 0 -1.6838 0.0160 -2.3042 O 0 0 0 0 0 0 0 0 0 -2.8167 0.3264 -3.0882 C 0 0 0 0 0 0 0 0 0 -3.2010 -0.9464 -3.8314 C 0 0 0 0 0 0 0 0 0 0.4593 -1.2087 -1.0407 H 0 0 0 0 0 0 0 0 0 2.4216 -0.8040 0.6476 H 0 0 0 0 0 0 0 0 0 1.8679 3.9194 1.8553 H 0 0 0 0 0 0 0 0 0 0.3064 2.7496 0.2099 H 0 0 0 0 0 0 0 0 0 3.5456 4.5416 4.7148 H 0 0 0 0 0 0 0 0 0 5.1102 4.4928 3.9100 H 0 0 0 0 0 0 0 0 0 3.7823 5.4065 3.1962 H 0 0 0 0 0 0 0 0 0 -3.6431 0.6416 -2.4646 H 0 0 0 0 0 0 0 0 0 -2.5891 1.1055 -3.8039 H 0 0 0 0 0 0 0 0 0 -4.0673 -0.7678 -4.4513 H 0 0 0 0 0 0 0 0 0 -2.3733 -1.2608 -4.4501 H 0 0 0 0 0 0 0 0 0 -3.4239 -1.7233 -3.1149 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 17 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 10 1 0 0 0 0 3 6 1 0 0 0 0 3 4 2 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END > 693053 > K $$$$ 693632 1016 111283D 693632 30 32 0 1 V2000 5.3826 -6.5194 1.3561 N 0 0 0 0 0 0 0 0 0 4.2521 -6.1138 0.7364 C 0 0 0 0 0 0 0 0 0 4.1628 -4.8466 0.2738 N 0 0 0 0 0 0 0 0 0 5.1811 -3.9655 0.4209 C 0 0 0 0 0 0 0 0 0 6.3466 -4.3746 1.0547 C 0 0 0 0 0 0 0 0 0 6.4274 -5.6776 1.5217 C 0 0 0 0 0 0 0 0 0 5.0482 -2.5581 -0.0984 C 0 0 0 0 0 0 0 0 0 6.0060 -1.7637 0.0718 N 0 0 0 0 0 0 0 0 0 6.0569 -0.5487 -0.2632 N 0 0 0 0 0 0 0 0 0 3.7886 -2.1328 -0.8017 C 0 0 0 0 0 0 0 0 0 7.1852 0.1702 -0.0519 C 0 0 0 0 0 0 0 0 0 8.6117 -0.4584 0.6587 S 0 0 0 0 0 0 0 0 0 9.3391 1.0720 0.4940 C 0 0 0 0 0 0 0 0 0 8.4761 1.9827 -0.0898 C 0 0 0 0 0 0 0 0 0 7.2688 1.4720 -0.3959 N 0 0 0 0 0 0 0 0 0 10.6227 1.4402 0.8704 C 0 0 0 0 0 0 0 0 0 11.0306 2.7509 0.6476 C 0 0 0 0 0 0 0 0 0 10.1658 3.6698 0.0601 C 0 0 0 0 0 0 0 0 0 8.8807 3.2907 -0.3126 C 0 0 0 0 0 0 0 0 0 3.4484 -6.7796 0.6154 H 0 0 0 0 0 0 0 0 0 7.1527 -3.7132 1.1797 H 0 0 0 0 0 0 0 0 0 7.2993 -6.0109 2.0038 H 0 0 0 0 0 0 0 0 0 5.3050 -0.0944 -0.6749 H 0 0 0 0 0 0 0 0 0 4.0379 -1.7077 -1.7627 H 0 0 0 0 0 0 0 0 0 3.1299 -2.9736 -0.9573 H 0 0 0 0 0 0 0 0 0 3.2796 -1.3933 -0.2017 H 0 0 0 0 0 0 0 0 0 11.2710 0.7431 1.3137 H 0 0 0 0 0 0 0 0 0 11.9988 3.0502 0.9249 H 0 0 0 0 0 0 0 0 0 10.4857 4.6569 -0.1033 H 0 0 0 0 0 0 0 0 0 8.2237 3.9799 -0.7555 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > 693632 > K $$$$ 695218 1016 111283D 695218 24 24 1 1 V2000 -0.1009 0.8889 -1.1907 O 0 0 0 0 0 0 0 0 0 -0.3607 -0.4343 -1.6215 C 0 0 0 0 0 0 0 0 0 0.9767 -1.0454 -2.0210 C 0 0 0 0 0 0 0 0 0 1.7290 0.2020 -2.4564 C 0 0 0 0 0 0 0 0 0 1.2708 1.1931 -1.3896 C 0 0 1 0 0 0 0 0 0 1.5509 2.6327 -1.7556 C 0 0 0 0 0 0 0 0 0 0.9545 3.6966 -1.1264 N 0 0 0 0 0 0 0 0 0 2.3439 2.8504 -2.6422 O 0 0 0 0 0 0 0 0 0 1.0756 5.0286 -1.6027 O 0 0 0 0 0 0 0 0 0 0.1654 3.5347 0.0605 C 0 0 0 0 0 0 0 0 0 0.5916 5.2027 -2.9193 C 0 0 0 0 0 0 0 0 0 -0.8274 -1.0102 -0.8347 H 0 0 0 0 0 0 0 0 0 -1.0183 -0.4033 -2.4796 H 0 0 0 0 0 0 0 0 0 1.4530 -1.4908 -1.1590 H 0 0 0 0 0 0 0 0 0 0.8779 -1.7762 -2.8116 H 0 0 0 0 0 0 0 0 0 2.7999 0.0560 -2.4568 H 0 0 0 0 0 0 0 0 0 1.3894 0.5218 -3.4316 H 0 0 0 0 0 0 0 0 0 1.8019 0.9833 -0.4724 H 0 0 0 0 0 0 0 0 0 0.5097 2.7064 0.6609 H 0 0 0 0 0 0 0 0 0 0.2300 4.4407 0.6456 H 0 0 0 0 0 0 0 0 0 -0.8649 3.3743 -0.2213 H 0 0 0 0 0 0 0 0 0 1.3095 4.8304 -3.6338 H 0 0 0 0 0 0 0 0 0 -0.3513 4.6912 -3.0534 H 0 0 0 0 0 0 0 0 0 0.4352 6.2578 -3.0935 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 6 0 0 0 6 8 2 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 M END > 695218 > K $$$$ 697443 1016 111283D 697443 56 58 1 1 V2000 6.3989 12.7355 3.3628 C 0 0 0 0 0 0 0 0 0 4.8814 12.9152 3.2507 C 0 0 1 0 0 0 0 0 0 4.1481 11.6628 3.6564 C 0 0 0 0 0 0 0 0 0 4.8353 10.3201 3.7229 C 0 0 0 0 0 0 0 0 0 6.2837 10.2203 3.2958 C 0 0 0 0 0 0 0 0 0 6.8204 11.4770 2.6063 C 0 0 0 0 0 0 0 0 0 4.4074 14.1106 4.0838 C 0 0 0 0 0 0 0 0 0 2.9739 11.7410 3.9308 O 0 0 0 0 0 0 0 0 0 4.1260 9.2685 4.1740 C 0 0 0 0 0 0 0 0 0 4.5436 7.8193 4.0883 C 0 0 0 0 0 0 0 0 0 5.1100 7.2833 2.9362 C 0 0 0 0 0 0 0 0 0 5.5301 5.9596 2.9016 C 0 0 0 0 0 0 0 0 0 5.3703 5.1369 4.0130 C 0 0 0 0 0 0 0 0 0 4.7622 5.6606 5.1464 C 0 0 0 0 0 0 0 0 0 4.3524 6.9886 5.1862 C 0 0 0 0 0 0 0 0 0 5.7767 3.8333 4.0405 O 0 0 0 0 0 0 0 0 0 6.8940 3.5285 3.3205 C 0 0 0 0 0 0 0 0 0 8.2359 4.1155 3.6793 C 0 0 0 0 0 0 0 0 0 6.8027 2.7721 2.3839 O 0 0 0 0 0 0 0 0 0 9.3222 3.8804 2.9255 C 0 0 0 0 0 0 0 0 0 5.1209 15.3461 3.7514 N 0 0 0 0 0 0 0 0 0 4.7275 15.9764 2.4932 C 0 0 0 0 0 0 0 0 0 5.1682 16.3006 4.8554 C 0 0 0 0 0 0 0 0 0 10.7123 4.3853 3.2434 C 0 0 0 0 0 0 0 0 0 11.7198 4.1760 2.3063 C 0 0 0 0 0 0 0 0 0 13.0166 4.6143 2.5438 C 0 0 0 0 0 0 0 0 0 13.3212 5.2696 3.7287 C 0 0 0 0 0 0 0 0 0 12.3238 5.4849 4.6699 C 0 0 0 0 0 0 0 0 0 11.0275 5.0458 4.4281 C 0 0 0 0 0 0 0 0 0 6.8939 13.5940 2.9316 H 0 0 0 0 0 0 0 0 0 6.6924 12.6499 4.3999 H 0 0 0 0 0 0 0 0 0 4.6364 13.1011 2.2154 H 0 0 0 0 0 0 0 0 0 6.8686 10.0537 4.1894 H 0 0 0 0 0 0 0 0 0 6.4626 9.3994 2.6239 H 0 0 0 0 0 0 0 0 0 6.4401 11.5265 1.5954 H 0 0 0 0 0 0 0 0 0 7.8993 11.4224 2.5633 H 0 0 0 0 0 0 0 0 0 3.3440 14.2500 3.9411 H 0 0 0 0 0 0 0 0 0 4.5720 13.8602 5.1229 H 0 0 0 0 0 0 0 0 0 3.1989 9.4670 4.6284 H 0 0 0 0 0 0 0 0 0 5.2214 7.8748 2.0765 H 0 0 0 0 0 0 0 0 0 5.9687 5.5824 2.0250 H 0 0 0 0 0 0 0 0 0 4.6158 5.0407 5.9807 H 0 0 0 0 0 0 0 0 0 3.8985 7.3646 6.0558 H 0 0 0 0 0 0 0 0 0 8.3021 4.7151 4.5367 H 0 0 0 0 0 0 0 0 0 9.1994 3.3061 2.0535 H 0 0 0 0 0 0 0 0 0 5.3401 16.8479 2.3085 H 0 0 0 0 0 0 0 0 0 4.8610 15.2945 1.6668 H 0 0 0 0 0 0 0 0 0 3.6919 16.2843 2.5343 H 0 0 0 0 0 0 0 0 0 4.1721 16.6354 5.1091 H 0 0 0 0 0 0 0 0 0 5.6174 15.8390 5.7231 H 0 0 0 0 0 0 0 0 0 5.7690 17.1572 4.5845 H 0 0 0 0 0 0 0 0 0 11.5047 3.6814 1.4047 H 0 0 0 0 0 0 0 0 0 13.7679 4.4505 1.8277 H 0 0 0 0 0 0 0 0 0 14.3020 5.6006 3.9117 H 0 0 0 0 0 0 0 0 0 12.5524 5.9813 5.5670 H 0 0 0 0 0 0 0 0 0 10.2922 5.2206 5.1554 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 6 0 0 0 2 32 1 1 0 0 0 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 21 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 20 24 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 M END > 697443 > K $$$$ 697569 1016 111283D 697569 31 33 0 1 V2000 4.4446 -0.2953 -7.6657 C 0 0 0 0 0 0 0 0 0 5.1883 0.7492 -7.1247 C 0 0 0 0 0 0 0 0 0 5.6796 0.6900 -5.8257 C 0 0 0 0 0 0 0 0 0 5.4105 -0.4429 -5.0736 C 0 0 0 0 0 0 0 0 0 4.6706 -1.4920 -5.5994 C 0 0 0 0 0 0 0 0 0 4.1824 -1.4283 -6.8963 C 0 0 0 0 0 0 0 0 0 5.7817 -0.7107 -3.8121 N 0 0 0 0 0 0 0 0 0 5.3698 -1.8898 -3.3580 C 0 0 0 0 0 0 0 0 0 4.4629 -2.7870 -4.4910 S 0 0 0 0 0 0 0 0 0 6.4783 -0.0957 -2.8485 C 0 0 0 0 0 0 0 0 0 6.4699 -0.9692 -1.7721 C 0 0 0 0 0 0 0 0 0 5.7761 -2.0919 -2.0920 N 0 0 0 0 0 0 0 0 0 7.1384 -0.6883 -0.4581 C 0 0 0 0 0 0 0 0 0 7.7252 0.3582 -0.3050 O 0 0 0 0 0 0 0 0 0 7.0816 -1.6048 0.5464 O 0 0 0 0 0 0 0 0 0 7.7527 -1.1898 1.7176 C 0 0 0 0 0 0 0 0 0 7.5993 -2.3073 2.7409 C 0 0 0 0 0 0 0 0 0 4.0218 -0.1118 -8.9501 O 0 0 0 0 0 0 0 0 0 3.2593 -1.1316 -9.5646 C 0 0 0 0 0 0 0 0 0 5.3784 1.5964 -7.7149 H 0 0 0 0 0 0 0 0 0 6.2400 1.4812 -5.4230 H 0 0 0 0 0 0 0 0 0 3.6247 -2.2298 -7.2790 H 0 0 0 0 0 0 0 0 0 6.9363 0.8487 -2.8928 H 0 0 0 0 0 0 0 0 0 8.8038 -1.0255 1.5209 H 0 0 0 0 0 0 0 0 0 7.3148 -0.2818 2.1103 H 0 0 0 0 0 0 0 0 0 6.5491 -2.4725 2.9322 H 0 0 0 0 0 0 0 0 0 8.0357 -3.2131 2.3466 H 0 0 0 0 0 0 0 0 0 8.0959 -2.0383 3.6616 H 0 0 0 0 0 0 0 0 0 3.0141 -0.8167 -10.5684 H 0 0 0 0 0 0 0 0 0 3.8268 -2.0496 -9.6219 H 0 0 0 0 0 0 0 0 0 2.3390 -1.2981 -9.0228 H 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > 697569 > K $$$$ 697726 1016 111283D 697726 31 33 0 1 V2000 0.4904 -0.1602 -1.2188 C 0 0 0 0 0 0 0 0 0 0.2725 -0.7180 -0.0166 C 0 0 0 0 0 0 0 0 0 0.7586 -0.0057 1.2227 C 0 0 0 0 0 0 0 0 0 1.4780 1.3071 1.1211 C 0 0 0 0 0 0 0 0 0 1.7104 1.8598 -0.0797 C 0 0 0 0 0 0 0 0 0 1.2249 1.1493 -1.3196 C 0 0 0 0 0 0 0 0 0 1.4228 1.6282 -2.4105 O 0 0 0 0 0 0 0 0 0 0.5768 -0.4796 2.3195 O 0 0 0 0 0 0 0 0 0 1.9263 1.9704 2.3942 C 0 0 0 0 0 0 0 0 0 3.2270 1.5267 2.7178 O 0 0 0 0 0 0 0 0 0 0.0097 -0.8263 -2.4802 C 0 0 0 0 0 0 0 0 0 2.4107 3.1189 -0.1705 N 0 0 0 0 0 0 0 0 0 3.8269 3.0638 0.1847 C 0 0 0 0 0 0 0 0 0 3.3851 3.2510 -1.2507 C 0 0 0 0 0 0 0 0 0 0.3359 -3.1504 -0.3583 C 0 0 0 0 0 0 0 0 0 0.0259 -2.9146 1.1037 C 0 0 0 0 0 0 0 0 0 -0.4237 -1.9803 0.0738 N 0 0 0 0 0 0 0 0 0 1.9397 3.0444 2.2711 H 0 0 0 0 0 0 0 0 0 1.2414 1.7355 3.1979 H 0 0 0 0 0 0 0 0 0 3.1876 0.6139 2.9908 H 0 0 0 0 0 0 0 0 0 0.1895 -0.1954 -3.3385 H 0 0 0 0 0 0 0 0 0 0.5349 -1.7580 -2.6285 H 0 0 0 0 0 0 0 0 0 -1.0500 -1.0226 -2.4062 H 0 0 0 0 0 0 0 0 0 4.2308 3.9460 0.6598 H 0 0 0 0 0 0 0 0 0 4.2514 2.0966 0.4167 H 0 0 0 0 0 0 0 0 0 3.5719 2.4007 -1.8911 H 0 0 0 0 0 0 0 0 0 3.5150 4.2482 -1.6452 H 0 0 0 0 0 0 0 0 0 1.3702 -3.0064 -0.6387 H 0 0 0 0 0 0 0 0 0 -0.2351 -3.9400 -0.8252 H 0 0 0 0 0 0 0 0 0 -0.7282 -3.5687 1.5166 H 0 0 0 0 0 0 0 0 0 0.8956 -2.6723 1.6978 H 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 1 2 2 0 0 0 0 2 17 1 0 0 0 0 2 3 1 0 0 0 0 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 M END > 697726 > K $$$$ 697855 1016 111283D 697855 30 31 0 2 V2000 1.1123 2.5741 2.7522 S 0 0 0 0 0 0 0 0 0 -0.5547 2.8427 2.9600 C 0 0 0 0 0 0 0 0 0 -0.9948 3.9172 2.2115 C 0 0 0 0 0 0 0 0 0 -0.0182 4.4963 1.4819 N 0 0 0 0 0 0 0 0 0 1.1753 3.8978 1.6664 C 0 0 0 0 0 0 0 0 0 7.1085 4.3217 0.1090 C 0 0 0 0 0 0 0 0 0 6.0112 4.0015 0.8974 C 0 0 0 0 0 0 0 0 0 4.7197 4.2091 0.4157 C 0 0 0 0 0 0 0 0 0 4.5462 4.7382 -0.8601 C 0 0 0 0 0 0 0 0 0 5.6450 5.0617 -1.6452 C 0 0 0 0 0 0 0 0 0 6.9290 4.8538 -1.1607 C 0 0 0 0 0 0 0 0 0 3.5261 3.8588 1.2716 C 0 0 0 0 0 0 0 0 0 3.6632 3.1203 2.2171 O 0 0 0 0 0 0 0 0 0 2.2811 4.3482 1.0231 N 0 0 0 0 0 0 0 0 0 -1.3830 2.1207 3.7477 N 0 3 0 0 0 0 0 0 0 -0.9650 1.1354 4.3937 O 0 0 0 0 0 0 0 0 0 -2.7826 2.5256 3.8217 O 0 5 0 0 0 0 0 0 0 6.2443 3.4869 2.1348 O 0 0 0 0 0 0 0 0 0 5.8366 4.3149 3.1346 C 0 0 0 0 0 0 0 0 0 5.5293 5.4624 2.9112 O 0 0 0 0 0 0 0 0 0 5.7694 3.7960 4.5336 C 0 0 0 0 0 0 0 0 0 -1.9953 4.2407 2.2190 H 0 0 0 0 0 0 0 0 0 8.0769 4.1597 0.4806 H 0 0 0 0 0 0 0 0 0 3.5827 4.8970 -1.2456 H 0 0 0 0 0 0 0 0 0 5.5047 5.4632 -2.6062 H 0 0 0 0 0 0 0 0 0 7.7620 5.0986 -1.7525 H 0 0 0 0 0 0 0 0 0 2.1648 5.0494 0.3663 H 0 0 0 0 0 0 0 0 0 6.7719 3.6705 4.9133 H 0 0 0 0 0 0 0 0 0 5.2312 4.4995 5.1507 H 0 0 0 0 0 0 0 0 0 5.2574 2.8458 4.5326 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 2 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 7 18 1 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 M CHG 2 15 1 17 -1 M END > 697855 > K $$$$ 697875 1016 111283D 697875 37 38 1 1 V2000 1.7034 5.8170 -1.5156 C 0 0 0 0 0 0 0 0 0 0.9511 6.1334 -0.4035 C 0 0 0 0 0 0 0 0 0 0.0627 4.9947 0.0173 C 0 0 0 0 0 0 0 0 0 0.6003 3.7781 -0.7755 C 0 0 1 0 0 0 0 0 0 1.3891 4.4138 -1.8882 C 0 0 0 0 0 0 0 0 0 2.5756 6.7252 -2.0970 C 0 0 0 0 0 0 0 0 0 2.6972 7.9781 -1.5049 C 0 0 0 0 0 0 0 0 0 1.9521 8.3018 -0.3735 C 0 0 0 0 0 0 0 0 0 1.0701 7.3831 0.1870 C 0 0 0 0 0 0 0 0 0 1.7262 3.8767 -2.9162 O 0 0 0 0 0 0 0 0 0 1.6058 2.9814 0.0759 C 0 0 0 0 0 0 0 0 0 -0.5267 2.9224 -1.2899 C 0 0 0 0 0 0 0 0 0 -0.7066 1.8184 -0.8306 O 0 0 0 0 0 0 0 0 0 -1.3421 3.4021 -2.2690 O 0 0 0 0 0 0 0 0 0 -2.2000 2.4334 -2.8417 C 0 0 0 0 0 0 0 0 0 -2.9525 3.1234 -3.9743 C 0 0 0 0 0 0 0 0 0 2.6893 3.8918 0.5960 C 0 0 0 0 0 0 0 0 0 3.8106 4.0971 -0.1087 C 0 0 0 0 0 0 0 0 0 4.8630 5.0450 0.3781 C 0 0 0 0 0 0 0 0 0 5.9113 5.6988 -1.1525 Br 0 0 0 0 0 0 0 0 0 0.1018 4.8294 1.0849 H 0 0 0 0 0 0 0 0 0 -0.9507 5.2319 -0.2745 H 0 0 0 0 0 0 0 0 0 3.1280 6.4719 -2.9548 H 0 0 0 0 0 0 0 0 0 3.3562 8.6873 -1.9133 H 0 0 0 0 0 0 0 0 0 2.0576 9.2515 0.0621 H 0 0 0 0 0 0 0 0 0 0.5067 7.6299 1.0386 H 0 0 0 0 0 0 0 0 0 1.0912 2.5367 0.9154 H 0 0 0 0 0 0 0 0 0 2.0428 2.1854 -0.5121 H 0 0 0 0 0 0 0 0 0 -1.6441 1.5972 -3.2468 H 0 0 0 0 0 0 0 0 0 -2.9090 2.0680 -2.1111 H 0 0 0 0 0 0 0 0 0 -2.2467 3.4766 -4.7122 H 0 0 0 0 0 0 0 0 0 -3.6419 2.4341 -4.4398 H 0 0 0 0 0 0 0 0 0 -3.4998 3.9655 -3.5770 H 0 0 0 0 0 0 0 0 0 2.5506 4.3766 1.5183 H 0 0 0 0 0 0 0 0 0 3.9608 3.5910 -1.0183 H 0 0 0 0 0 0 0 0 0 4.3996 5.8866 0.8721 H 0 0 0 0 0 0 0 0 0 5.5124 4.5271 1.0687 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 12 1 6 0 0 0 4 5 1 0 0 0 0 4 11 1 1 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 M END > 697875 > K $$$$ 697923 1016 111283D 697923 27 28 0 2 V2000 -3.3858 -0.4344 1.8736 O 0 0 0 0 0 0 0 0 0 -5.1721 -1.6243 1.0428 C 0 0 0 0 0 0 0 0 0 -4.1058 -1.8434 0.1999 C 0 0 0 0 0 0 0 0 0 -1.4265 -1.0680 -0.0037 S 0 0 0 0 0 0 0 0 0 -0.8950 -2.3937 -0.0762 O 0 0 0 0 0 0 0 0 0 -1.5093 -0.5037 -1.3150 O 0 0 0 0 0 0 0 0 0 -3.0514 -1.1191 0.7232 C 0 0 0 0 0 0 0 0 0 -0.4067 -0.0494 1.0427 C 0 0 0 0 0 0 0 0 0 -0.3920 1.3284 0.8689 C 0 0 0 0 0 0 0 0 0 0.4063 2.1226 1.6818 C 0 0 0 0 0 0 0 0 0 1.1942 1.5423 2.6692 C 0 0 0 0 0 0 0 0 0 1.1703 0.1636 2.8467 C 0 0 0 0 0 0 0 0 0 0.3723 -0.6314 2.0343 C 0 0 0 0 0 0 0 0 0 -4.7121 -0.7794 2.0334 C 0 0 0 0 0 0 0 0 0 -5.5031 -0.3503 3.0444 N 0 3 0 0 0 0 0 0 0 -5.0456 0.4142 3.9211 O 0 0 0 0 0 0 0 0 0 -6.8943 -0.7959 3.0902 O 0 5 0 0 0 0 0 0 0 2.0664 2.4006 3.5407 C 0 0 0 0 0 0 0 0 0 -6.1439 -2.0145 0.9606 H 0 0 0 0 0 0 0 0 0 -4.0930 -2.4391 -0.6653 H 0 0 0 0 0 0 0 0 0 -0.9838 1.7696 0.1214 H 0 0 0 0 0 0 0 0 0 0.4129 3.1646 1.5463 H 0 0 0 0 0 0 0 0 0 1.7572 -0.2820 3.5958 H 0 0 0 0 0 0 0 0 0 0.3587 -1.6733 2.1687 H 0 0 0 0 0 0 0 0 0 1.5072 2.7013 4.4149 H 0 0 0 0 0 0 0 0 0 2.9424 1.8504 3.8527 H 0 0 0 0 0 0 0 0 0 2.3831 3.2823 3.0024 H 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 7 2 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 16 2 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 M CHG 2 15 1 17 -1 M END > 697923 > K $$$$ 698031 1016 111283D 698031 55 58 0 1 V2000 -1.0531 1.5478 -3.2503 C 0 0 0 0 0 0 0 0 0 -1.9337 1.6055 -2.2242 N 0 0 0 0 0 0 0 0 0 -3.2107 1.9963 -2.4251 C 0 0 0 0 0 0 0 0 0 -3.5938 2.3646 -3.6675 N 0 0 0 0 0 0 0 0 0 -2.6873 2.4836 -4.6636 N 0 0 0 0 0 0 0 0 0 -1.4110 2.0864 -4.4822 C 0 0 0 0 0 0 0 0 0 -0.4451 2.2454 -5.6186 C 0 0 0 0 0 0 0 0 0 1.9862 -0.3275 -1.6732 C 0 0 0 0 0 0 0 0 0 2.2927 -0.8191 -0.4116 C 0 0 0 0 0 0 0 0 0 3.4970 -1.4697 -0.1727 C 0 0 0 0 0 0 0 0 0 4.4411 -1.6569 -1.1817 C 0 0 0 0 0 0 0 0 0 4.1149 -1.1642 -2.4441 C 0 0 0 0 0 0 0 0 0 2.9134 -0.5142 -2.6921 C 0 0 0 0 0 0 0 0 0 0.2924 0.9044 -3.0500 C 0 0 0 0 0 0 0 0 0 0.6671 0.3799 -1.8743 C 0 0 0 0 0 0 0 0 0 5.6499 -2.2949 -0.9749 N 0 0 0 0 0 0 0 0 0 6.1237 -2.7441 0.3163 C 0 0 0 0 0 0 0 0 0 6.5474 -2.5599 -2.0780 C 0 0 0 0 0 0 0 0 0 -4.1156 2.0217 -1.4137 N 0 0 0 0 0 0 0 0 0 -3.7925 2.7083 -0.2809 C 0 0 0 0 0 0 0 0 0 -4.6707 2.7977 0.7258 C 0 0 0 0 0 0 0 0 0 -5.9991 2.1431 0.5487 C 0 0 0 0 0 0 0 0 0 -6.2798 1.4830 -0.6074 N 0 0 0 0 0 0 0 0 0 -5.3092 1.3670 -1.5647 C 0 0 0 0 0 0 0 0 0 -5.5648 0.4765 -2.8290 S 0 0 0 0 0 0 0 0 0 -7.5242 0.9519 -0.7883 C 0 0 0 0 0 0 0 0 0 -8.0277 -0.0020 0.0888 C 0 0 0 0 0 0 0 0 0 -9.2892 -0.5464 -0.1172 C 0 0 0 0 0 0 0 0 0 -10.0568 -0.1339 -1.1987 C 0 0 0 0 0 0 0 0 0 -9.5641 0.8274 -2.0710 C 0 0 0 0 0 0 0 0 0 -8.3019 1.3673 -1.8638 C 0 0 0 0 0 0 0 0 0 -6.8123 2.2114 1.4386 O 0 0 0 0 0 0 0 0 0 -2.5672 3.2942 -0.2112 O 0 0 0 0 0 0 0 0 0 -0.3925 1.3215 -6.1743 H 0 0 0 0 0 0 0 0 0 -0.7822 3.0398 -6.2683 H 0 0 0 0 0 0 0 0 0 0.5333 2.5078 -5.2440 H 0 0 0 0 0 0 0 0 0 1.6075 -0.6998 0.3756 H 0 0 0 0 0 0 0 0 0 3.6678 -1.8159 0.7991 H 0 0 0 0 0 0 0 0 0 4.7827 -1.2766 -3.2442 H 0 0 0 0 0 0 0 0 0 2.7241 -0.1694 -3.6639 H 0 0 0 0 0 0 0 0 0 0.9494 0.8648 -3.8638 H 0 0 0 0 0 0 0 0 0 0.0137 0.4626 -1.0548 H 0 0 0 0 0 0 0 0 0 5.4463 -2.5796 1.1359 H 0 0 0 0 0 0 0 0 0 6.3277 -3.8046 0.2727 H 0 0 0 0 0 0 0 0 0 7.0439 -2.2283 0.5521 H 0 0 0 0 0 0 0 0 0 6.0372 -3.1370 -2.8362 H 0 0 0 0 0 0 0 0 0 6.8898 -1.6286 -2.5068 H 0 0 0 0 0 0 0 0 0 7.4177 -3.1212 -1.7672 H 0 0 0 0 0 0 0 0 0 -4.4425 3.3093 1.6117 H 0 0 0 0 0 0 0 0 0 -7.4509 -0.3139 0.9087 H 0 0 0 0 0 0 0 0 0 -9.6630 -1.2708 0.5451 H 0 0 0 0 0 0 0 0 0 -11.0092 -0.5477 -1.3571 H 0 0 0 0 0 0 0 0 0 -10.1444 1.1463 -2.8866 H 0 0 0 0 0 0 0 0 0 -7.9325 2.0962 -2.5234 H 0 0 0 0 0 0 0 0 0 -2.4394 3.7525 0.6116 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 14 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 19 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 15 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 24 1 0 0 0 0 19 20 1 0 0 0 0 20 33 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 32 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 33 55 1 0 0 0 0 M END > 698031 > K $$$$ 698573 1016 111283D 698573 29 32 0 1 V2000 0.0731 1.2767 0.0388 C 0 0 0 0 0 0 0 0 0 0.2298 -0.0901 -0.0181 C 0 0 0 0 0 0 0 0 0 1.4871 -0.6786 -0.0642 C 0 0 0 0 0 0 0 0 0 2.5874 0.1740 -0.0500 C 0 0 0 0 0 0 0 0 0 2.4291 1.5556 0.0077 C 0 0 0 0 0 0 0 0 0 1.1645 2.1357 0.0534 C 0 0 0 0 0 0 0 0 0 -1.2399 1.5457 0.0729 N 0 0 0 0 0 0 0 0 0 -2.0021 0.3452 0.0393 S 0 0 0 0 0 0 0 0 0 -0.9880 -0.6507 -0.0182 N 0 0 0 0 0 0 0 0 0 1.6817 -2.1714 -0.1273 C 0 0 0 0 0 0 0 0 0 2.6739 -4.1846 -0.2261 C 0 0 0 0 0 0 0 0 0 1.3060 -4.3846 -0.2091 C 0 0 0 0 0 0 0 0 0 0.6954 -3.1445 -0.1480 C 0 0 0 0 0 0 0 0 0 1.0163 3.6338 0.1155 C 0 0 0 0 0 0 0 0 0 -0.1647 4.3576 0.1565 C 0 0 0 0 0 0 0 0 0 0.1495 5.7041 0.2084 C 0 0 0 0 0 0 0 0 0 1.5272 5.8200 0.1995 C 0 0 0 0 0 0 0 0 0 2.9007 -2.8245 -0.1755 N 0 0 0 0 0 0 0 0 0 2.0558 4.5467 0.1422 N 0 0 0 0 0 0 0 0 0 3.5582 -0.2237 -0.0832 H 0 0 0 0 0 0 0 0 0 3.2845 2.1636 0.0166 H 0 0 0 0 0 0 0 0 0 3.4076 -4.9363 -0.2698 H 0 0 0 0 0 0 0 0 0 0.8181 -5.3137 -0.2375 H 0 0 0 0 0 0 0 0 0 -0.3403 -2.9791 -0.1222 H 0 0 0 0 0 0 0 0 0 -1.1362 3.9615 0.1496 H 0 0 0 0 0 0 0 0 0 -0.5359 6.4983 0.2476 H 0 0 0 0 0 0 0 0 0 2.0715 6.7187 0.2308 H 0 0 0 0 0 0 0 0 0 3.7752 -2.4049 -0.1745 H 0 0 0 0 0 0 0 0 0 3.0027 4.3366 0.1241 H 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 9 2 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 18 1 0 0 0 0 10 13 2 0 0 0 0 11 18 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 19 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END > 698573 > K $$$$ 699479 1016 111283D 699479 53 57 0 2 V2000 0.9510 4.2735 -1.5523 C 0 0 0 0 0 0 0 0 0 1.4997 4.8241 -2.7079 C 0 0 0 0 0 0 0 0 0 1.7964 4.0237 -3.8060 C 0 0 0 0 0 0 0 0 0 1.5330 2.6658 -3.7082 C 0 0 0 0 0 0 0 0 0 0.9874 2.1073 -2.5602 C 0 0 0 0 0 0 0 0 0 0.6857 2.9103 -1.4664 C 0 0 0 0 0 0 0 0 0 1.7192 1.6606 -4.5797 N 0 0 0 0 0 0 0 0 0 1.3632 0.5214 -4.0087 C 0 0 0 0 0 0 0 0 0 0.8337 0.7369 -2.7461 C 0 3 0 0 0 0 0 0 0 2.1513 1.4487 -5.8412 N 0 0 0 0 0 0 0 0 0 2.1685 0.0943 -6.0196 C 0 0 0 0 0 0 0 0 0 1.6535 -0.5075 -4.8816 C 0 0 0 0 0 0 0 0 0 0.2973 -0.1525 -1.8935 C 0 0 0 0 0 0 0 0 0 -0.0620 -1.5659 -2.2779 C 0 0 0 0 0 0 0 0 0 0.1848 -2.5931 -1.3771 C 0 0 0 0 0 0 0 0 0 -0.1020 -3.9077 -1.7180 C 0 0 0 0 0 0 0 0 0 -0.6462 -4.2311 -2.9578 C 0 0 0 0 0 0 0 0 0 -0.9179 -3.1935 -3.8448 C 0 0 0 0 0 0 0 0 0 -0.6377 -1.8756 -3.5069 C 0 0 0 0 0 0 0 0 0 2.4987 2.4862 -6.7781 C 0 0 0 0 0 0 0 0 0 -0.9041 -5.5383 -3.2870 N 0 0 0 0 0 0 0 0 0 -0.2729 -6.6174 -2.5623 C 0 0 0 0 0 0 0 0 0 -1.8088 -5.8812 -4.3604 C 0 0 0 0 0 0 0 0 0 2.6413 -0.7170 -7.1967 C 0 0 0 0 0 0 0 0 0 3.7370 -0.3065 -7.9473 C 0 0 0 0 0 0 0 0 0 4.1759 -1.0709 -9.0208 C 0 0 0 0 0 0 0 0 0 3.5188 -2.2481 -9.3527 C 0 0 0 0 0 0 0 0 0 2.4209 -2.6607 -8.6103 C 0 0 0 0 0 0 0 0 0 1.9839 -1.8960 -7.5365 C 0 0 0 0 0 0 0 0 0 4.0711 -3.2043 -10.6965 Cl 0 0 0 0 0 0 0 0 0 0.7347 4.8989 -0.7346 H 0 0 0 0 0 0 0 0 0 1.6924 5.8574 -2.7501 H 0 0 0 0 0 0 0 0 0 2.2075 4.4358 -4.6800 H 0 0 0 0 0 0 0 0 0 0.2684 2.5103 -0.5886 H 0 0 0 0 0 0 0 0 0 1.5260 -1.5371 -4.7306 H 0 0 0 0 0 0 0 0 0 0.1114 0.1415 -0.9012 H 0 0 0 0 0 0 0 0 0 0.5929 -2.3872 -0.4310 H 0 0 0 0 0 0 0 0 0 0.0990 -4.6648 -1.0191 H 0 0 0 0 0 0 0 0 0 -1.3384 -3.4008 -4.7853 H 0 0 0 0 0 0 0 0 0 -0.8716 -1.1198 -4.1984 H 0 0 0 0 0 0 0 0 0 3.4235 2.9615 -6.4874 H 0 0 0 0 0 0 0 0 0 2.5911 2.1079 -7.7854 H 0 0 0 0 0 0 0 0 0 1.7113 3.2279 -6.7870 H 0 0 0 0 0 0 0 0 0 0.7772 -6.4078 -2.4143 H 0 0 0 0 0 0 0 0 0 -0.7466 -6.7325 -1.5975 H 0 0 0 0 0 0 0 0 0 -0.3472 -7.5542 -3.0953 H 0 0 0 0 0 0 0 0 0 -2.7293 -5.3235 -4.2595 H 0 0 0 0 0 0 0 0 0 -1.3533 -5.6491 -5.3128 H 0 0 0 0 0 0 0 0 0 -2.0588 -6.9334 -4.3527 H 0 0 0 0 0 0 0 0 0 4.2425 0.5815 -7.7056 H 0 0 0 0 0 0 0 0 0 5.0067 -0.7600 -9.5833 H 0 0 0 0 0 0 0 0 0 1.9224 -3.5510 -8.8624 H 0 0 0 0 0 0 0 0 0 1.1488 -2.2184 -6.9866 H 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 7 1 0 0 0 0 4 5 2 0 0 0 0 5 9 1 0 0 0 0 5 6 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 20 1 0 0 0 0 10 11 1 0 0 0 0 11 24 1 0 0 0 0 11 12 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 9 1 M END > 699479 > K $$$$ 700323 1016 111283D 700323 93 96 0 1 V2000 34.8591 -10.1878 -10.6279 C 0 0 0 0 0 0 0 0 0 34.2328 -11.5331 -8.5487 C 0 0 0 0 0 0 0 0 0 35.1078 -10.6846 -9.2262 C 0 0 0 0 0 0 0 0 0 33.6389 -12.8725 -6.4872 C 0 0 0 0 0 0 0 0 0 33.5535 -10.5309 -11.1933 N 0 0 0 0 0 0 0 0 0 32.8645 -9.4179 -11.8462 C 0 0 0 0 0 0 0 0 0 30.4844 -9.9178 -11.1432 C 0 0 0 0 0 0 0 0 0 31.3711 -13.1166 -5.6977 C 0 0 0 0 0 0 0 0 0 32.4522 -12.1615 -5.9914 N 0 0 0 0 0 0 0 0 0 29.1617 -10.1834 -11.4757 C 0 0 0 0 0 0 0 0 0 28.1372 -10.3739 -10.3883 C 0 0 0 0 0 0 0 0 0 28.1699 -11.6968 -9.7585 N 0 0 0 0 0 0 0 0 0 27.3466 -11.8459 -8.5559 C 0 0 0 0 0 0 0 0 0 28.0808 -12.0080 -7.2414 C 0 0 0 0 0 0 0 0 0 29.3930 -12.4699 -7.1070 C 0 0 0 0 0 0 0 0 0 34.5467 -11.9475 -7.2541 C 0 0 0 0 0 0 0 0 0 35.7164 -11.5091 -6.6448 C 0 0 0 0 0 0 0 0 0 36.5829 -10.6563 -7.3141 C 0 0 0 0 0 0 0 0 0 36.2749 -10.2559 -8.6075 C 0 0 0 0 0 0 0 0 0 31.4249 -9.7275 -12.1562 C 0 0 0 0 0 0 0 0 0 31.0374 -9.8226 -13.4873 C 0 0 0 0 0 0 0 0 0 29.7163 -10.0891 -13.8208 C 0 0 0 0 0 0 0 0 0 28.7820 -10.2779 -12.8114 C 0 0 0 0 0 0 0 0 0 27.3703 -11.6636 -6.0948 C 0 0 0 0 0 0 0 0 0 27.9442 -11.7687 -4.8349 C 0 0 0 0 0 0 0 0 0 29.2464 -12.2323 -4.7127 C 0 0 0 0 0 0 0 0 0 29.9670 -12.5932 -5.8447 C 0 0 0 0 0 0 0 0 0 30.1662 -12.8270 -8.1669 O 0 0 0 0 0 0 0 0 0 33.0936 -11.9291 -9.1803 O 0 0 0 0 0 0 0 0 0 30.7994 -9.8499 -9.8198 O 0 0 0 0 0 0 0 0 0 29.3143 -10.1722 -15.2660 C 0 0 0 0 0 0 0 0 0 27.1709 -11.3839 -3.6060 C 0 0 0 0 0 0 0 0 0 37.8356 -10.1724 -6.6431 C 0 0 0 0 0 0 0 0 0 32.8239 -11.2236 -4.9112 C 0 0 0 0 0 0 0 0 0 33.5172 -11.8166 -11.9019 C 0 0 0 0 0 0 0 0 0 28.2157 -12.8774 -10.6295 C 0 0 0 0 0 0 0 0 0 31.9814 -10.0210 -4.5704 C 0 0 0 0 0 0 0 0 0 31.6806 -9.8709 -3.4102 O 0 0 0 0 0 0 0 0 0 31.5366 -9.0789 -5.4508 O 0 0 0 0 0 0 0 0 0 31.7564 -9.3222 -6.8256 C 0 0 0 0 0 0 0 0 0 26.9787 -13.0603 -11.4621 C 0 0 0 0 0 0 0 0 0 27.0375 -12.8958 -12.6586 O 0 0 0 0 0 0 0 0 0 25.8055 -13.4082 -10.8643 O 0 0 0 0 0 0 0 0 0 24.7467 -13.5789 -11.7858 C 0 0 0 0 0 0 0 0 0 34.2213 -11.7914 -13.2293 C 0 0 0 0 0 0 0 0 0 35.3799 -12.1300 -13.2962 O 0 0 0 0 0 0 0 0 0 33.5551 -11.3862 -14.3458 O 0 0 0 0 0 0 0 0 0 34.1964 -11.7964 -15.5379 C 0 0 0 0 0 0 0 0 0 34.9692 -9.1131 -10.5889 H 0 0 0 0 0 0 0 0 0 35.6489 -10.5619 -11.2652 H 0 0 0 0 0 0 0 0 0 34.1694 -13.3181 -5.6561 H 0 0 0 0 0 0 0 0 0 33.3748 -13.6805 -7.1553 H 0 0 0 0 0 0 0 0 0 32.8740 -8.5541 -11.1963 H 0 0 0 0 0 0 0 0 0 33.3946 -9.1544 -12.7514 H 0 0 0 0 0 0 0 0 0 31.4150 -13.9490 -6.3870 H 0 0 0 0 0 0 0 0 0 31.5073 -13.5268 -4.7068 H 0 0 0 0 0 0 0 0 0 28.3197 -9.6245 -9.6301 H 0 0 0 0 0 0 0 0 0 27.1507 -10.1980 -10.7951 H 0 0 0 0 0 0 0 0 0 26.7006 -10.9824 -8.4693 H 0 0 0 0 0 0 0 0 0 26.6909 -12.7001 -8.6580 H 0 0 0 0 0 0 0 0 0 35.9516 -11.8224 -5.6694 H 0 0 0 0 0 0 0 0 0 36.9354 -9.6210 -9.1229 H 0 0 0 0 0 0 0 0 0 31.7483 -9.6901 -14.2503 H 0 0 0 0 0 0 0 0 0 27.7830 -10.4891 -13.0590 H 0 0 0 0 0 0 0 0 0 26.3809 -11.3196 -6.1809 H 0 0 0 0 0 0 0 0 0 29.6857 -12.3133 -3.7620 H 0 0 0 0 0 0 0 0 0 30.0960 -12.1606 -8.8411 H 0 0 0 0 0 0 0 0 0 32.4884 -12.3797 -8.6017 H 0 0 0 0 0 0 0 0 0 31.7405 -9.8969 -9.6917 H 0 0 0 0 0 0 0 0 0 29.5734 -11.1468 -15.6532 H 0 0 0 0 0 0 0 0 0 28.2503 -10.0195 -15.3739 H 0 0 0 0 0 0 0 0 0 29.8340 -9.4159 -15.8367 H 0 0 0 0 0 0 0 0 0 26.8887 -12.2793 -3.0714 H 0 0 0 0 0 0 0 0 0 27.7857 -10.7665 -2.9674 H 0 0 0 0 0 0 0 0 0 26.2783 -10.8343 -3.8681 H 0 0 0 0 0 0 0 0 0 38.6010 -10.9296 -6.7338 H 0 0 0 0 0 0 0 0 0 38.1834 -9.2601 -7.1057 H 0 0 0 0 0 0 0 0 0 37.6464 -9.9816 -5.5967 H 0 0 0 0 0 0 0 0 0 32.9566 -11.7832 -3.9969 H 0 0 0 0 0 0 0 0 0 33.7723 -10.7632 -5.1349 H 0 0 0 0 0 0 0 0 0 33.9805 -12.5828 -11.2982 H 0 0 0 0 0 0 0 0 0 32.4941 -12.1145 -12.0758 H 0 0 0 0 0 0 0 0 0 29.0612 -12.8118 -11.2976 H 0 0 0 0 0 0 0 0 0 28.3458 -13.7640 -10.0263 H 0 0 0 0 0 0 0 0 0 32.8137 -9.3182 -7.0468 H 0 0 0 0 0 0 0 0 0 31.3158 -10.2590 -7.1361 H 0 0 0 0 0 0 0 0 0 31.2873 -8.5275 -7.3879 H 0 0 0 0 0 0 0 0 0 24.9796 -14.3627 -12.4939 H 0 0 0 0 0 0 0 0 0 23.8525 -13.8552 -11.2465 H 0 0 0 0 0 0 0 0 0 24.5555 -12.6589 -12.3206 H 0 0 0 0 0 0 0 0 0 34.2986 -12.8734 -15.5626 H 0 0 0 0 0 0 0 0 0 33.5917 -11.4958 -16.3811 H 0 0 0 0 0 0 0 0 0 35.1745 -11.3441 -15.6268 H 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 3 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 29 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 19 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 4 51 1 0 0 0 0 4 52 1 0 0 0 0 5 35 1 0 0 0 0 5 6 1 0 0 0 0 6 20 1 0 0 0 0 6 53 1 0 0 0 0 6 54 1 0 0 0 0 7 30 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 36 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 28 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 61 1 0 0 0 0 18 33 1 0 0 0 0 18 19 2 0 0 0 0 19 62 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 22 31 1 0 0 0 0 22 23 2 0 0 0 0 23 64 1 0 0 0 0 24 25 2 0 0 0 0 24 65 1 0 0 0 0 25 32 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 34 37 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 45 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 41 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 37 39 1 0 0 0 0 37 38 2 0 0 0 0 39 40 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 41 43 1 0 0 0 0 41 42 2 0 0 0 0 43 44 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 47 1 0 0 0 0 45 46 2 0 0 0 0 47 48 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 48 93 1 0 0 0 0 M END > 700323 > K $$$$ 700582 1016 111283D 700582 68 70 0 1 V2000 1.5278 -7.4302 2.3134 S 0 0 0 0 0 0 0 0 0 1.2452 -6.4972 0.5255 S 0 0 0 0 0 0 0 0 0 2.6014 -7.0395 -0.4952 C 0 0 0 0 0 0 0 0 0 2.5253 -7.9860 -1.4357 C 0 0 0 0 0 0 0 0 0 1.2711 -8.7577 -1.7330 C 0 0 0 0 0 0 0 0 0 0.7647 -9.6756 -0.9037 C 0 0 0 0 0 0 0 0 0 1.4912 -10.1706 0.6485 S 0 0 0 0 0 0 0 0 0 0.4719 -9.1610 2.0978 S 0 0 0 0 0 0 0 0 0 3.8712 -6.5654 -0.4571 N 0 0 0 0 0 0 0 0 0 4.5788 -7.2172 -1.4140 C 0 0 0 0 0 0 0 0 0 3.7471 -8.1001 -2.0263 N 0 0 0 0 0 0 0 0 0 0.4615 -8.6722 -2.8268 N 0 0 0 0 0 0 0 0 0 -0.5657 -9.5421 -2.6356 C 0 0 0 0 0 0 0 0 0 -0.3797 -10.1635 -1.4435 N 0 0 0 0 0 0 0 0 0 4.1043 -8.9905 -3.0980 C 0 0 0 0 0 0 0 0 0 4.1184 -10.4446 -2.6198 C 0 0 0 0 0 0 0 0 0 3.1012 -11.3080 -3.3684 C 0 0 0 0 0 0 0 0 0 6.0870 -6.9845 -1.7478 S 0 0 0 0 0 0 0 0 0 4.3721 -5.5591 0.4377 C 0 0 0 0 0 0 0 0 0 5.0830 -6.2607 1.5949 C 0 0 0 0 0 0 0 0 0 5.6648 -5.2677 2.6017 C 0 0 0 0 0 0 0 0 0 6.3733 -5.9952 3.7431 C 0 0 0 0 0 0 0 0 0 0.6404 -7.8249 -3.9786 C 0 0 0 0 0 0 0 0 0 0.6576 -6.3401 -3.6191 C 0 0 0 0 0 0 0 0 0 -0.6659 -5.9107 -2.9862 C 0 0 0 0 0 0 0 0 0 3.1616 -12.7585 -2.8969 C 0 0 0 0 0 0 0 0 0 -0.6425 -4.4245 -2.6401 C 0 0 0 0 0 0 0 0 0 -1.2340 -11.1563 -0.8514 C 0 0 0 0 0 0 0 0 0 -2.2895 -10.4448 -0.0026 C 0 0 0 0 0 0 0 0 0 -3.2927 -11.3831 0.6725 C 0 0 0 0 0 0 0 0 0 -2.6397 -12.3571 1.6521 C 0 0 0 0 0 0 0 0 0 -1.7583 -9.7918 -3.6129 S 0 0 0 0 0 0 0 0 0 3.4188 -8.8661 -3.9210 H 0 0 0 0 0 0 0 0 0 5.0890 -8.7441 -3.4694 H 0 0 0 0 0 0 0 0 0 5.1064 -10.8515 -2.7820 H 0 0 0 0 0 0 0 0 0 3.9062 -10.4815 -1.5605 H 0 0 0 0 0 0 0 0 0 2.1054 -10.9246 -3.2003 H 0 0 0 0 0 0 0 0 0 3.3124 -11.2760 -4.4280 H 0 0 0 0 0 0 0 0 0 5.0639 -4.9110 -0.0823 H 0 0 0 0 0 0 0 0 0 3.5603 -4.9571 0.8216 H 0 0 0 0 0 0 0 0 0 4.3763 -6.9062 2.0963 H 0 0 0 0 0 0 0 0 0 5.8822 -6.8685 1.1952 H 0 0 0 0 0 0 0 0 0 6.3754 -4.6244 2.1024 H 0 0 0 0 0 0 0 0 0 4.8694 -4.6618 3.0121 H 0 0 0 0 0 0 0 0 0 5.6737 -6.6297 4.2681 H 0 0 0 0 0 0 0 0 0 7.1795 -6.6002 3.3535 H 0 0 0 0 0 0 0 0 0 6.7797 -5.2715 4.4347 H 0 0 0 0 0 0 0 0 0 1.5629 -8.0785 -4.4757 H 0 0 0 0 0 0 0 0 0 -0.1584 -7.9823 -4.6895 H 0 0 0 0 0 0 0 0 0 1.4710 -6.1364 -2.9391 H 0 0 0 0 0 0 0 0 0 0.8191 -5.7693 -4.5224 H 0 0 0 0 0 0 0 0 0 -1.4725 -6.0987 -3.6807 H 0 0 0 0 0 0 0 0 0 -0.8399 -6.4814 -2.0849 H 0 0 0 0 0 0 0 0 0 4.1452 -13.1650 -3.0840 H 0 0 0 0 0 0 0 0 0 2.9478 -12.8118 -1.8391 H 0 0 0 0 0 0 0 0 0 2.4301 -13.3427 -3.4358 H 0 0 0 0 0 0 0 0 0 -1.5963 -4.1367 -2.2228 H 0 0 0 0 0 0 0 0 0 0.1352 -4.2300 -1.9157 H 0 0 0 0 0 0 0 0 0 -0.4560 -3.8416 -3.5307 H 0 0 0 0 0 0 0 0 0 -1.7176 -11.7433 -1.6196 H 0 0 0 0 0 0 0 0 0 -0.6467 -11.8190 -0.2321 H 0 0 0 0 0 0 0 0 0 -1.7922 -9.8611 0.7574 H 0 0 0 0 0 0 0 0 0 -2.8386 -9.7672 -0.6405 H 0 0 0 0 0 0 0 0 0 -3.9990 -10.7768 1.2222 H 0 0 0 0 0 0 0 0 0 -3.8339 -11.9398 -0.0792 H 0 0 0 0 0 0 0 0 0 -2.0043 -13.0508 1.1215 H 0 0 0 0 0 0 0 0 0 -2.0514 -11.8136 2.3773 H 0 0 0 0 0 0 0 0 0 -3.4076 -12.9150 2.1682 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 3 1 0 0 0 0 3 9 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 4 5 1 0 0 0 0 5 12 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 18 2 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 32 2 0 0 0 0 13 14 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 26 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 M END > 700582 > K $$$$