SciTegic12181810132D 33 35 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 -3.0000 0.0000 N 0 0 -2.5981 -3.0000 0.0000 N 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.6060 6.0003 0.0000 C 0 0 2.6060 7.5003 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 0.0079 6.0003 0.0000 C 0 0 1.3070 8.2503 0.0000 C 0 0 0.0079 7.5003 0.0000 C 0 0 -1.3038 14.2500 0.0000 C 0 0 -1.3007 12.7491 0.0000 C 0 0 0.0001 12.0006 0.0000 C 0 0 2 0 0 0 1.3039 9.7511 0.0000 C 0 0 2.3421 10.3529 0.0000 O 0 0 1.3039 3.7494 0.0000 N 0 0 0.0031 3.0008 0.0000 C 0 0 2.3421 3.1476 0.0000 C 0 0 0.0031 10.4997 0.0000 N 0 0 -1.2990 -4.9500 0.0000 N 0 0 -3.6373 -0.9000 0.0000 N 0 0 1.3001 12.7505 0.0000 C 0 0 1.3001 13.9505 0.0000 O 0 0 2.3395 12.1508 0.0000 O 0 0 -2.6046 14.9985 0.0000 C 0 0 -3.6428 14.3967 0.0000 O 0 0 -2.6071 16.1985 0.0000 O 0 0 1 9 2 0 1 6 1 0 2 10 2 0 2 7 1 0 3 5 2 0 3 6 1 0 4 8 2 0 4 5 1 0 5 26 1 0 6 7 2 0 7 8 1 0 8 27 1 0 9 10 1 0 10 23 1 0 11 12 2 0 11 13 1 0 12 15 1 0 13 14 2 0 13 22 1 0 14 16 1 0 15 16 2 0 15 20 1 0 17 18 1 0 17 31 1 0 19 18 1 1 19 25 1 0 19 28 1 0 20 21 2 0 20 25 1 0 22 23 1 0 22 24 1 0 28 29 1 0 28 30 2 0 31 32 1 0 31 33 2 0 M END > 740 > 59-05-2 $$$$ SciTegic12181810132D 14 13 0 0 1 0 999 V2000 1.3000 0.7500 0.0000 S 0 0 0.2606 0.1503 0.0000 O 0 0 1.3000 1.9500 0.0000 O 0 0 2.6000 0.0000 0.0000 O 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 O 0 0 10.3999 0.0000 0.0000 S 0 0 11.4393 0.5997 0.0000 O 0 0 10.3999 -1.2000 0.0000 O 0 0 11.4391 -0.6002 0.0000 C 0 0 0.2609 1.3502 0.0000 C 0 0 1 2 2 0 1 3 2 0 1 4 1 0 1 14 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 M END > 750 > 55-98-1 $$$$ SciTegic12181810132D 13 14 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -2.7000 0.0000 S 0 0 0.0000 2.5000 0.0000 H 0 0 -3.0337 -2.1646 0.0000 H 0 0 -2.7248 -1.2135 0.0000 N 0 0 -2.7248 1.2135 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 1 12 2 0 1 8 1 0 2 10 1 0 2 12 1 0 2 4 1 0 3 8 2 0 5 6 1 0 6 9 1 0 6 11 1 0 7 11 2 0 7 10 1 0 8 9 1 0 9 10 2 0 12 13 1 0 M END > 752 > 154-42-7 $$$$ SciTegic12181810132D 12 13 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 -2.7000 0.0000 S 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 2.5000 0.0000 H 0 0 -2.7248 -1.2135 0.0000 N 0 0 -3.0337 -2.1646 0.0000 H 0 0 -2.7248 1.2135 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 12 2 0 1 8 1 0 2 8 2 0 3 10 1 0 3 12 1 0 3 4 1 0 5 9 1 0 5 11 1 0 5 6 1 0 7 11 2 0 7 10 1 0 8 9 1 0 9 10 2 0 M END > 755 > 50-44-2 $$$$ SciTegic12181810132D 8 7 0 0 1 0 999 V2000 0.2606 0.1503 0.0000 Cl 0 0 1.3000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 N 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 7.5394 0.1503 0.0000 Cl 0 0 3.9000 1.9500 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 8 1 0 5 6 1 0 6 7 1 0 M END > 762 > 55-86-7 $$$$ SciTegic12181810132D 10 11 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -2.3383 1.3500 0.0000 O 0 0 -1.8032 -3.1233 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -0.3114 -2.9665 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 1 8 2 0 1 4 1 0 2 6 2 0 3 7 2 0 3 9 1 0 4 5 2 0 4 9 1 0 5 6 1 0 5 7 1 0 6 10 1 0 8 10 1 0 M END > 1390 > 315-30-0 $$$$ SciTegic12181810132D 90 96 0 0 1 0 999 V2000 -2.5604 -3.3999 0.0000 C 0 0 -2.5604 -2.5920 0.0000 C 0 0 -4.1614 4.6469 0.0000 C 0 0 -4.9695 4.6469 0.0000 C 0 0 -3.9114 3.8789 0.0000 C 0 0 -6.7024 1.4619 0.0000 C 0 0 -1.8615 -3.8040 0.0000 C 0 0 0.9334 -3.8170 0.0000 C 0 0 -1.8615 -2.1890 0.0000 C 0 0 1.6335 -2.6060 0.0000 C 0 0 -1.1615 -2.5920 0.0000 C 0 0 1.6335 -3.4129 0.0000 C 0 0 -1.1615 -3.3999 0.0000 C 0 0 0.2374 -2.5920 0.0000 C 0 0 0.2374 -3.3999 0.0000 C 0 0 -3.9564 -0.9640 0.0000 C 0 0 1 0 0 0 -5.2185 3.8789 0.0000 C 0 0 1 0 0 0 -3.2604 -0.5729 0.0000 C 0 0 1 0 0 0 -3.9284 2.2079 0.0000 C 0 0 1 0 0 0 -6.0244 -0.5410 0.0000 C 0 0 2 0 0 0 -6.7024 0.6639 0.0000 C 0 0 -5.9885 3.4289 0.0000 C 0 0 -3.2604 0.2249 0.0000 C 0 0 -4.5655 2.6139 0.0000 C 0 0 -5.3385 -0.9479 0.0000 C 0 0 -3.2295 2.6119 0.0000 C 0 0 -6.7245 -0.9449 0.0000 C 0 0 -1.8615 -1.3810 0.0000 C 0 0 -0.4624 -2.1890 0.0000 N 0 0 -5.9885 1.8529 0.0000 N 0 0 -6.0244 0.2570 0.0000 N 0 0 -4.5655 3.4039 0.0000 N 0 0 2.3325 -3.8170 0.0000 O 0 0 -7.4025 0.2599 0.0000 O 0 0 -6.6875 3.8329 0.0000 O 0 0 -2.5615 0.6289 0.0000 O 0 0 -5.2655 2.2100 0.0000 O 0 0 -5.3385 -1.7560 0.0000 O 0 0 -1.1615 -0.9770 0.0000 O 0 0 -0.4624 -3.8040 0.0000 O 0 0 -4.6424 -0.5570 0.0000 O 0 0 0.9334 -4.6250 0.0000 C 0 0 -1.8615 -4.6120 0.0000 C 0 0 -3.9564 -1.7720 0.0000 C 0 0 -6.7245 -1.7529 0.0000 C 0 0 -7.4244 -0.5410 0.0000 C 0 0 -5.3255 0.6609 0.0000 C 0 0 -3.2295 3.4199 0.0000 C 0 0 -2.5295 2.2079 0.0000 C 0 0 -5.2884 1.4489 0.0000 C 0 0 2.3325 -2.2020 0.0000 N 0 0 -2.5615 -0.9770 0.0000 N 0 0 7.2544 0.4359 0.0000 C 0 0 7.2544 1.2439 0.0000 C 0 0 6.4864 0.1870 0.0000 C 0 0 4.0694 2.9769 0.0000 C 0 0 0.9334 -2.2020 0.0000 C 0 0 1.6435 0.2309 0.0000 C 0 0 1 0 0 0 6.4864 1.4939 0.0000 C 0 0 1 0 0 0 2.0354 -0.4640 0.0000 C 0 0 1 0 0 0 4.8154 0.2029 0.0000 C 0 0 1 0 0 0 2.0664 2.2999 0.0000 C 0 0 2 0 0 0 3.2725 2.9769 0.0000 C 0 0 6.0364 2.2629 0.0000 C 0 0 2.8325 -0.4640 0.0000 C 0 0 5.2214 0.8399 0.0000 C 0 0 1.6604 1.6129 0.0000 C 0 0 5.2195 -0.4960 0.0000 C 0 0 1.6625 2.9989 0.0000 C 0 0 0.9634 -1.4420 0.0000 C 0 0 4.4604 2.2629 0.0000 N 0 0 2.8645 2.2999 0.0000 N 0 0 6.0114 0.8399 0.0000 N 0 0 2.8685 3.6769 0.0000 O 0 0 6.4404 2.9619 0.0000 O 0 0 3.2364 -1.1640 0.0000 O 0 0 4.8175 1.5399 0.0000 O 0 0 0.8524 1.6129 0.0000 O 0 0 0.2634 -1.0379 0.0000 O 0 0 2.0504 0.9170 0.0000 O 0 0 0.8354 0.2309 0.0000 C 0 0 0.8545 2.9989 0.0000 C 0 0 2.0664 3.6989 0.0000 C 0 0 3.2685 1.5999 0.0000 C 0 0 6.0275 -0.4960 0.0000 C 0 0 4.8154 -1.1960 0.0000 C 0 0 4.0864 1.6029 0.0000 C 0 0 -3.9284 0.6320 0.0000 N 0 0 3.2395 0.2029 0.0000 N 0 0 1.6635 -1.0379 0.0000 N 0 0 1 2 2 0 1 7 1 0 2 9 1 0 3 4 1 0 3 5 1 0 17 4 1 6 5 32 1 0 6 21 1 0 6 30 1 0 7 13 2 0 7 43 1 0 8 12 1 0 8 15 2 0 8 42 1 0 9 11 2 0 9 28 1 0 10 12 1 0 10 51 1 0 10 57 2 0 11 13 1 0 11 29 1 0 12 33 2 0 13 40 1 0 14 15 1 0 14 29 2 0 14 57 1 0 15 40 1 0 16 18 1 0 16 41 1 0 16 44 1 6 17 22 1 0 17 32 1 0 18 23 1 0 18 52 1 1 19 24 1 0 19 26 1 1 19 88 1 0 20 25 1 0 20 27 1 6 20 31 1 0 21 31 1 0 21 34 2 0 22 30 1 0 22 35 2 0 23 36 2 0 23 88 1 0 24 32 1 0 24 37 2 0 25 38 2 0 25 41 1 0 26 48 1 0 26 49 1 0 27 45 1 0 27 46 1 0 28 39 2 0 28 52 1 0 30 50 1 0 31 47 1 0 53 54 1 0 53 55 1 0 59 54 1 6 55 73 1 0 56 63 1 0 56 71 1 0 57 70 1 0 58 60 1 0 58 80 1 0 58 81 1 6 59 64 1 0 59 73 1 0 60 65 1 0 60 90 1 1 61 66 1 0 61 68 1 1 61 89 1 0 62 67 1 0 62 69 1 6 62 72 1 0 63 72 1 0 63 74 2 0 64 71 1 0 64 75 2 0 65 76 2 0 65 89 1 0 66 73 1 0 66 77 2 0 67 78 2 0 67 80 1 0 68 85 1 0 68 86 1 0 69 82 1 0 69 83 1 0 70 79 2 0 70 90 1 0 71 87 1 0 72 84 1 0 M END > 3053 > 50-76-0 $$$$ SciTegic12181810132D 19 19 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.3471 -5.8487 0.0000 Cl 0 0 1.2938 -3.7562 0.0000 C 0 0 1.2891 -5.2570 0.0000 C 0 0 2.3260 -5.8609 0.0000 Cl 0 0 -0.0031 3.0008 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -2.6078 5.9988 0.0000 C 0 0 -3.6460 5.3969 0.0000 O 0 0 -2.6103 7.1988 0.0000 O 0 0 1 2 2 0 1 3 1 0 2 5 1 0 3 4 2 0 3 7 1 0 4 6 1 0 5 6 2 0 5 14 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 M END > 3088 > 305-03-3 $$$$ SciTegic12181810132D 11 13 0 0 1 0 999 V2000 -0.7500 -0.4330 0.0000 N 0 0 -2.0404 -1.1781 0.0000 P 0 0 -3.0795 -0.5777 0.0000 S 0 0 -2.0402 0.3227 0.0000 N 0 0 -2.0414 -2.6789 0.0000 N 0 0 -1.2921 -3.8869 0.0000 C 0 0 -2.7921 -3.8859 0.0000 C 0 0 0.7500 -0.4330 0.0000 C 0 0 0.0000 0.8660 0.0000 C 0 0 -1.2900 1.5301 0.0000 C 0 0 -2.7900 1.5303 0.0000 C 0 0 1 2 1 0 1 8 1 0 1 9 1 0 2 3 2 0 2 5 1 0 2 4 1 0 4 10 1 0 4 11 1 0 5 6 1 0 5 7 1 0 6 7 1 0 8 9 1 0 10 11 1 0 M END > 6396 > 52-24-4 $$$$ SciTegic12181810132D 19 19 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5972 -1.5031 0.0000 N 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8999 -0.7576 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 -3.8916 -4.9570 0.0000 Cl 0 0 -5.1972 -1.5122 0.0000 C 0 0 -6.2387 -0.9161 0.0000 Cl 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 2 0 0 0 1.5548 3.6021 0.0000 N 0 0 3.8933 3.7570 0.0000 C 0 0 4.9336 3.1588 0.0000 O 0 0 3.8916 4.9570 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 14 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 9 1 0 8 10 1 0 9 12 1 0 10 11 1 0 12 13 1 0 14 15 1 0 15 16 1 6 15 17 1 0 17 18 1 0 17 19 2 0 M END > 8806 > 3223-07-2 $$$$ SciTegic12181810132D 15 18 0 0 1 0 999 V2000 2.5987 1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -3.0008 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.2716 2.7526 0.0000 C 0 0 -4.0195 1.4524 0.0000 C 0 0 4.0196 1.4570 0.0000 C 0 0 3.2676 2.7548 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.7481 -4.2096 0.0000 C 0 0 0.7519 -4.2072 0.0000 C 0 0 1 9 1 0 1 10 1 0 1 12 1 0 2 12 2 0 2 13 1 0 3 11 2 0 3 12 1 0 4 13 1 0 4 14 1 0 4 15 1 0 5 13 2 0 5 11 1 0 6 7 1 0 6 8 1 0 6 11 1 0 7 8 1 0 9 10 1 0 14 15 1 0 M END > 9706 > 51-18-3 $$$$ SciTegic12181810132D 15 15 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5955 2.7031 0.0000 C 0 0 3.6375 0.9049 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -1.0432 -3.5994 0.0000 C 0 0 1.0351 -3.6026 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.6387 0.8962 0.0000 C 0 0 -2.6024 2.6977 0.0000 C 0 0 1 5 2 0 1 6 1 0 2 4 2 0 2 5 1 0 3 6 2 0 3 4 1 0 4 13 1 0 5 7 1 0 6 10 1 0 7 8 1 0 7 9 1 0 10 11 1 0 10 12 1 0 13 14 1 0 13 15 1 0 M END > 13875 > 645-05-6 $$$$ SciTegic12181810132D 9 8 0 0 1 0 999 V2000 5.2000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 2.6000 -1.2000 0.0000 O 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 N 0 0 6.5000 0.7500 0.0000 C 0 0 6.5000 1.9500 0.0000 O 0 0 7.5394 0.1503 0.0000 O 0 0 1 2 1 0 1 7 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 7 8 1 0 7 9 2 0 M END > 18509 > 5451-09-2 $$$$ SciTegic12181810132D 9 9 0 0 1 0 999 V2000 -2.3383 1.3500 0.0000 F 0 0 0.0000 2.7000 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 1 6 1 0 2 7 2 0 3 4 2 0 4 8 1 0 4 9 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 M END > 19893 > 51-21-8 $$$$ SciTegic12181810132D 77 84 0 0 1 0 999 V2000 -0.8515 2.9040 0.0000 C 0 0 -0.2015 2.5240 0.0000 C 0 0 0.4474 2.9019 0.0000 C 0 0 0.4484 3.6540 0.0000 C 0 0 -0.2015 4.0240 0.0000 C 0 0 -0.8515 3.6540 0.0000 C 0 0 1.0984 2.5240 0.0000 C 0 0 1.7384 2.9040 0.0000 C 0 0 1.7384 3.6540 0.0000 C 0 0 1.0984 4.0240 0.0000 C 0 0 2.3885 2.5340 0.0000 C 0 0 3.0285 2.9040 0.0000 C 0 0 2 0 0 0 3.0285 3.6540 0.0000 C 0 0 1 0 0 0 2.3885 4.0240 0.0000 C 0 0 2.3885 1.7640 0.0000 O 0 0 1.0984 1.7640 0.0000 O 0 0 -0.2015 1.7640 0.0000 O 0 0 3.7385 4.0640 0.0000 C 0 0 1 0 0 0 4.4285 3.6640 0.0000 C 0 0 5.1185 4.0640 0.0000 C 0 0 2 0 0 0 5.8085 3.6640 0.0000 C 0 0 1 0 0 0 4.4285 2.9140 0.0000 O 0 0 6.4985 4.0640 0.0000 C 0 0 5.8085 2.9140 0.0000 O 0 0 5.1185 4.8140 0.0000 O 0 0 3.7385 4.8140 0.0000 O 0 0 3.0370 5.2190 0.0000 C 0 0 4.4485 2.0240 0.0000 O 0 0 -2.3415 4.3340 0.0000 O 0 0 -1.5015 2.5240 0.0000 C 0 0 3.0014 4.4089 0.0000 H 0 0 4.4814 0.1590 0.0000 C 0 0 3.9135 0.7270 0.0000 O 0 0 2.9585 0.7270 0.0000 C 0 0 2.3654 0.1340 0.0000 C 0 0 2.9085 -0.4089 0.0000 C 0 0 3.9135 -0.4089 0.0000 C 0 0 2.2614 -1.9709 0.0000 C 0 0 1.6934 -1.4029 0.0000 O 0 0 0.7384 -1.4029 0.0000 C 0 0 0.1454 -1.9959 0.0000 C 0 0 0.6884 -2.5389 0.0000 C 0 0 1.6934 -2.5389 0.0000 C 0 0 0.0914 -3.8209 0.0000 C 0 0 -0.4765 -3.2529 0.0000 O 0 0 -1.4315 -3.2529 0.0000 C 0 0 -2.0245 -3.8459 0.0000 C 0 0 -1.4815 -4.3889 0.0000 C 0 0 -0.4765 -4.3889 0.0000 C 0 0 -2.3485 2.5890 0.0000 C 0 0 -2.9165 3.1570 0.0000 O 0 0 -3.8715 3.1570 0.0000 C 0 0 -4.4645 2.5640 0.0000 C 0 0 -3.9215 2.0209 0.0000 C 0 0 -2.9165 2.0209 0.0000 C 0 0 -4.5185 1.3690 0.0000 C 0 0 -5.0865 1.9370 0.0000 O 0 0 -6.0415 1.9370 0.0000 C 0 0 -6.6345 1.3440 0.0000 C 0 0 -6.0915 0.8010 0.0000 C 0 0 -5.0865 0.8010 0.0000 C 0 0 -3.8985 2.6490 0.0000 O 0 0 -6.0885 1.3390 0.0000 O 0 0 -6.0085 2.5590 0.0000 C 0 0 -3.8695 3.8940 0.0000 C 0 0 -4.5785 3.2690 0.0000 O 0 0 2.9314 0.1890 0.0000 O 0 0 0.7414 -1.9809 0.0000 O 0 0 2.9614 1.4090 0.0000 C 0 0 0.7714 -0.6709 0.0000 C 0 0 -1.4285 -2.5109 0.0000 C 0 0 -1.4815 -3.5790 0.0000 C 0 0 -6.7785 0.5990 0.0000 O 0 0 2.2414 -0.5809 0.0000 O 0 0 0.0214 -2.6909 0.0000 O 0 0 -2.1045 -4.6559 0.0000 O 0 0 -1.5615 -5.1990 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 30 1 0 2 3 1 0 2 17 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 10 1 0 5 6 2 0 6 29 1 0 7 8 2 0 7 16 1 0 8 9 1 0 8 11 1 0 9 10 2 0 9 14 1 0 11 12 1 0 11 15 2 0 12 13 1 0 12 28 1 6 13 14 1 0 13 18 1 0 13 31 1 6 18 19 1 0 18 26 1 6 19 20 1 0 19 22 2 0 20 21 1 0 20 25 1 1 21 23 1 1 21 24 1 0 26 27 1 0 28 32 1 0 29 50 1 0 32 33 1 0 32 37 1 0 33 34 1 0 34 35 1 0 34 69 1 0 35 36 1 0 35 74 1 0 36 37 1 0 36 67 1 0 38 39 1 0 38 43 1 0 38 67 1 0 39 40 1 0 40 41 1 0 40 70 1 0 41 42 1 0 41 75 1 0 42 43 1 0 42 68 1 0 44 45 1 0 44 49 1 0 44 68 1 0 45 46 1 0 46 47 1 0 46 71 1 0 47 48 1 0 47 76 1 0 48 49 1 0 48 72 1 0 48 77 1 0 50 51 1 0 50 55 1 0 51 52 1 0 52 53 1 0 52 65 1 0 53 54 1 0 53 66 1 0 54 55 1 0 54 62 1 0 56 57 1 0 56 61 1 0 56 62 1 0 57 58 1 0 58 59 1 0 58 64 1 0 59 60 1 0 59 73 1 0 60 61 1 0 60 63 1 0 M END > 24559 > 18378-89-7 $$$$ SciTegic12181810132D 16 16 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8916 -4.9570 0.0000 Br 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 -2.6003 1.4977 0.0000 C 0 0 -2.6024 2.6977 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2387 0.8917 0.0000 Br 0 0 1 4 1 0 1 6 1 0 1 10 1 0 2 3 1 0 2 5 1 0 2 12 1 0 3 4 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 M END > 25154 > 54-91-1 $$$$ SciTegic12181810132D 14 14 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.6000 -1.4586 0.0000 C 0 0 3.8999 -2.2087 0.0000 C 0 0 4.9394 -1.6091 0.0000 Cl 0 0 1.2999 -2.2084 0.0000 N 0 0 1.3029 -3.7093 0.0000 C 0 0 2.6036 -4.4579 0.0000 C 0 0 2.6060 -5.6579 0.0000 Cl 0 0 0.0000 -1.5000 0.0000 P 0 0 -1.0536 -2.0744 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 1 2 1 0 1 12 1 0 2 3 1 0 3 4 1 0 4 14 1 0 5 6 1 0 5 8 1 0 6 7 1 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 12 13 2 0 12 14 1 0 M END > 26271 > 6055-19-2 $$$$ SciTegic12181810132D 26 29 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 C 0 0 2 0 0 0 -3.6065 0.0000 0.0000 C 0 0 2 0 0 0 -2.7248 -1.2135 0.0000 N 0 0 -5.0354 -0.4219 0.0000 C 0 0 2 0 0 0 -5.0501 -1.9218 0.0000 C 0 0 2 0 0 0 -3.6281 -2.3993 0.0000 C 0 0 0.0000 -2.7000 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 -3.1845 2.6395 0.0000 C 0 0 -2.1785 3.7532 0.0000 O 0 0 -2.6390 5.1816 0.0000 C 0 0 -1.8346 6.0720 0.0000 O 0 0 -6.3358 -1.0497 0.0000 N 0 0 -2.1092 0.1384 0.0000 O 0 0 -1.6099 1.2296 0.0000 C 0 0 -5.8648 -2.5017 0.0000 H 0 0 -5.5712 -1.2663 0.0000 H 0 0 -3.8123 5.4334 0.0000 N 0 0 2.3383 1.3500 0.0000 N 0 0 2.3383 -1.3500 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 26 1 0 2 3 1 0 2 25 1 0 3 4 1 0 3 14 2 0 4 5 2 0 4 7 1 0 5 6 1 0 5 9 1 0 6 13 2 0 7 8 1 0 7 15 1 6 8 9 1 0 8 10 1 0 8 20 1 1 9 12 1 0 10 11 1 0 10 19 1 0 10 23 1 1 11 12 1 0 11 19 1 0 11 22 1 1 15 16 1 0 16 17 1 0 17 18 2 0 17 24 1 0 20 21 1 0 M END > 26980 > 50-07-7 $$$$ SciTegic12181810132D 17 18 0 0 1 0 999 V2000 0.0000 2.7000 0.0000 F 0 0 3.9511 -0.8815 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.6873 -4.3927 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 6.4430 -1.8405 0.0000 C 0 0 6.9313 -0.7443 0.0000 O 0 0 1 7 1 0 2 10 1 0 2 13 1 0 3 6 2 0 4 8 1 0 4 9 1 0 4 10 1 0 5 9 2 0 6 7 1 0 6 15 1 0 7 8 2 0 9 15 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 13 16 1 0 16 17 1 0 M END > 27640 > 50-91-9 $$$$ SciTegic12181810132D 5 4 0 0 1 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 O 0 0 2.6000 0.0000 0.0000 N 0 0 3.6394 0.5997 0.0000 O 0 0 1.3000 1.9500 0.0000 N 0 0 1 2 2 0 1 3 1 0 1 5 1 0 3 4 1 0 M END > 32065 > 127-07-1 $$$$ SciTegic12181810132D 15 15 0 0 1 0 999 V2000 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 3.8916 4.9570 0.0000 Cl 0 0 2.5972 1.5031 0.0000 N 0 0 3.8999 0.7576 0.0000 C 0 0 5.1972 1.5122 0.0000 C 0 0 6.2387 0.9161 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 1 2 1 0 1 4 1 0 2 3 1 0 4 5 1 0 4 11 1 0 5 6 1 0 6 7 1 0 8 11 1 0 8 12 2 0 8 14 1 0 9 13 2 0 9 14 1 0 9 15 1 0 10 11 2 0 10 15 1 0 M END > 34462 > 66-75-1 $$$$ SciTegic12181810132D 18 19 0 0 1 0 999 V2000 2.5973 -1.5031 0.0000 C 0 0 3.8999 -0.7576 0.0000 C 0 0 4.9372 -1.3609 0.0000 Cl 0 0 3.9040 0.4424 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 4.9329 -3.1621 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1 2 1 0 1 5 1 0 1 11 1 0 2 3 1 0 2 4 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 18 1 0 9 10 2 0 11 12 1 0 11 16 2 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 M END > 38721 > 53-19-0 $$$$ SciTegic12181810132D 13 13 0 0 1 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 N 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 N 0 0 2.6375 0.8603 0.0000 C 0 0 2.8853 2.0344 0.0000 O 0 0 3.5307 0.0589 0.0000 N 0 0 1.6281 -2.2462 0.0000 N 0 0 1.0157 -3.6164 0.0000 N 0 0 1.8954 -4.8324 0.0000 N 0 0 1.4057 -5.9280 0.0000 C 0 0 3.0890 -4.7091 0.0000 C 0 0 1 2 2 0 1 5 1 0 1 9 1 0 2 3 1 0 2 6 1 0 3 4 2 0 4 5 1 0 6 7 2 0 6 8 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 M END > 45388 > 4342-03-4 $$$$ SciTegic12181810132D 16 18 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 O 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.3229 1.2135 0.0000 C 0 0 -6.2045 0.0000 0.0000 C 0 0 -5.3229 -1.2135 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 -2.6012 -3.0008 0.0000 O 0 0 -3.6412 -3.5994 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 14 2 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 10 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 9 13 1 0 10 15 1 0 11 12 2 0 12 13 1 0 15 16 1 0 M END > 45923 > 298-81-7 $$$$ SciTegic12181810132D 62 70 0 0 1 0 999 V2000 -2.1479 1.0993 0.0000 N 0 0 -2.1479 0.7293 0.0000 H 0 0 -1.2139 -2.2306 0.0000 N 0 0 -0.9060 3.3123 0.0000 N 0 0 -0.5799 -2.6516 0.0000 H 0 0 0.0310 -0.0206 0.0000 N 0 0 0.0310 -1.5506 0.0000 H 0 0 -0.2709 3.6783 0.0000 C 0 0 0.3640 3.3123 0.0000 C 0 0 1 0 0 0 0.3640 2.5783 0.0000 C 0 0 -0.2709 2.2123 0.0000 C 0 0 2 0 0 0 -0.2709 1.4573 0.0000 C 0 0 -0.8860 1.1023 0.0000 C 0 0 1 0 0 0 -1.5149 1.4653 0.0000 C 0 0 -2.1459 3.3123 0.0000 C 0 0 -2.1459 2.5663 0.0000 C 0 0 -1.5149 2.2023 0.0000 C 0 0 -2.7860 2.2023 0.0000 C 0 0 -3.4219 2.5683 0.0000 C 0 0 -4.0569 2.2023 0.0000 C 0 0 -2.7860 1.4683 0.0000 C 0 0 -4.0569 1.4683 0.0000 C 0 0 -3.4219 1.1023 0.0000 C 0 0 0.6660 0.3453 0.0000 C 0 0 1.3010 -0.0206 0.0000 C 0 0 1.3010 -0.7546 0.0000 C 0 0 0.6660 -1.1206 0.0000 C 0 0 2 0 0 0 0.0310 -0.7546 0.0000 C 0 0 1 0 0 0 -1.2389 -0.0206 0.0000 C 0 0 -1.2389 -0.7496 0.0000 C 0 0 -0.5799 -1.1306 0.0000 C 0 0 2 0 0 0 0.6910 -1.8646 0.0000 C 0 0 2 0 0 0 -0.5799 -1.8646 0.0000 C 0 0 2 0 0 0 -1.8489 -1.1306 0.0000 C 0 0 -2.4839 -0.7646 0.0000 C 0 0 -3.1199 -1.1306 0.0000 C 0 0 -1.8489 -1.8646 0.0000 C 0 0 -3.1199 -1.8646 0.0000 C 0 0 0.0560 -2.2306 0.0000 C 0 0 2 0 0 0 -2.4839 -2.2306 0.0000 C 0 0 -0.9060 2.5783 0.0000 C 0 0 -3.7649 -2.2366 0.0000 O 0 0 -4.4056 -1.8663 0.0000 C 0 0 -1.2139 -3.0206 0.0000 C 0 0 -0.2070 -3.2116 0.0000 O 0 0 1.0410 2.9203 0.0000 C 0 0 1.6823 3.2895 0.0000 C 0 0 1.0779 3.7243 0.0000 O 0 0 1.3590 -2.2506 0.0000 O 0 0 1.9999 -1.8808 0.0000 C 0 0 2.6407 -2.2510 0.0000 O 0 0 2.0002 -1.1408 0.0000 C 0 0 1.3070 -1.4916 0.0000 C 0 0 0.9376 -0.8503 0.0000 C 0 0 -0.3409 0.5563 0.0000 C 0 0 0.3739 0.7472 0.0000 O 0 0 -0.5331 -0.1582 0.0000 O 0 0 -1.2481 -0.3490 0.0000 C 0 0 0.5579 -3.1006 0.0000 C 0 0 1.2979 -3.1008 0.0000 O 0 0 0.1878 -3.7413 0.0000 O 0 0 -0.5521 -3.7411 0.0000 C 0 0 1 14 1 0 1 21 1 0 1 2 1 0 3 33 1 0 3 37 1 0 3 44 1 0 41 4 1 0 4 8 1 0 4 15 1 0 33 5 1 1 6 24 1 0 6 29 1 0 6 28 1 0 28 7 1 6 8 9 1 0 9 10 1 0 9 46 1 0 9 48 1 1 11 10 1 6 11 41 1 0 11 12 1 0 12 13 1 0 13 36 1 6 13 14 1 0 13 55 1 0 14 17 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 21 2 0 18 19 1 0 19 20 2 0 20 22 1 0 21 23 1 0 22 23 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 32 1 0 27 53 1 6 28 31 1 0 29 30 1 0 31 30 1 1 31 33 1 0 31 34 1 0 32 39 1 0 32 49 1 1 33 39 1 0 34 37 2 0 34 35 1 0 35 36 2 0 36 38 1 0 37 40 1 0 38 40 2 0 38 42 1 0 39 45 1 1 39 59 1 0 42 43 1 0 46 47 1 0 49 50 1 0 50 51 2 0 50 52 1 0 53 54 1 0 55 56 2 0 55 57 1 0 57 58 1 0 59 60 2 0 59 61 1 0 61 62 1 0 M END > 49842 > 143-67-9 $$$$ SciTegic12181810132D 17 18 0 0 1 0 999 V2000 2.7343 -2.9815 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.0971 -5.6353 0.0000 O 0 0 4.8054 -4.6666 0.0000 C 0 0 6.1467 -1.8742 0.0000 O 0 0 4.1955 0.2934 0.0000 O 0 0 -2.3383 1.3500 0.0000 N 0 0 1 9 1 0 1 12 1 0 2 7 1 0 2 8 1 0 2 9 1 0 3 5 2 0 3 8 1 0 4 8 2 0 5 6 1 0 5 17 1 0 6 7 2 0 9 10 1 0 10 11 1 0 10 16 1 0 11 12 1 0 11 15 1 0 12 14 1 0 13 14 1 0 M END > 63878 > 69-74-9 $$$$ SciTegic12181810132D 19 21 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 C 0 0 -3.6065 0.0000 0.0000 N 0 0 -2.7248 -1.2135 0.0000 C 0 0 -5.1072 0.0000 0.0000 C 0 0 -5.9493 -1.2353 0.0000 C 0 0 -8.0952 0.2293 0.0000 C 0 0 -7.2496 1.4682 0.0000 C 0 0 -5.7538 1.3554 0.0000 C 0 0 -3.0955 -2.3548 0.0000 O 0 0 -3.0955 2.3548 0.0000 O 0 0 -5.4289 -2.3166 0.0000 O 0 0 -9.2918 0.3196 0.0000 O 0 0 -7.4450 -1.1225 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 9 1 0 7 8 1 0 7 16 2 0 8 9 1 0 10 8 1 0 9 15 2 0 10 11 1 0 10 14 1 0 11 17 2 0 11 19 1 0 12 13 1 0 12 18 2 0 12 19 1 0 13 14 1 0 M END > 66847 > 50-35-1 $$$$ SciTegic12181810132D 62 70 0 0 1 0 999 V2000 1.2337 -1.9950 0.0000 N 0 0 -2.1712 3.5499 0.0000 N 0 0 2.0477 -2.4749 0.0000 H 0 0 2.8667 0.8399 0.0000 N 0 0 2.8667 -1.0560 0.0000 H 0 0 -1.3522 4.0229 0.0000 C 0 0 -0.5332 3.5499 0.0000 C 0 0 1 0 0 0 -0.5332 2.6039 0.0000 C 0 0 -1.3522 2.1309 0.0000 C 0 0 2 0 0 0 -1.3522 1.1569 0.0000 C 0 0 -2.1452 0.6989 0.0000 C 0 0 1 0 0 0 -2.9572 1.1679 0.0000 C 0 0 -3.7712 3.5499 0.0000 C 0 0 -3.7712 2.5879 0.0000 C 0 0 -2.9572 2.1179 0.0000 C 0 0 -4.5962 2.1179 0.0000 C 0 0 -5.4152 2.5909 0.0000 C 0 0 -6.2352 2.1179 0.0000 C 0 0 -4.5962 1.1719 0.0000 C 0 0 -6.2352 1.1719 0.0000 C 0 0 -5.4152 0.6989 0.0000 C 0 0 3.6857 1.3129 0.0000 C 0 0 4.5057 0.8399 0.0000 C 0 0 4.5057 -0.1060 0.0000 C 0 0 3.6857 -0.5790 0.0000 C 0 0 2 0 0 0 2.8667 -0.1060 0.0000 C 0 0 1 0 0 0 1.2287 0.8399 0.0000 C 0 0 1.2287 -0.1190 0.0000 C 0 0 2.0477 -0.5920 0.0000 C 0 0 2 0 0 0 3.6857 -1.5249 0.0000 C 0 0 2 0 0 0 2.0477 -1.5249 0.0000 C 0 0 2 0 0 0 0.4417 -0.5920 0.0000 C 0 0 -0.3772 -0.1190 0.0000 C 0 0 -1.1962 -0.5920 0.0000 C 0 0 0.4417 -1.5380 0.0000 C 0 0 -1.1962 -1.5380 0.0000 C 0 0 2.8667 -1.9980 0.0000 C 0 0 2 0 0 0 -0.3772 -2.0099 0.0000 C 0 0 -2.1712 2.6039 0.0000 C 0 0 -2.0192 -2.0130 0.0000 O 0 0 -2.8412 -1.5390 0.0000 C 0 0 2.6207 -2.9149 0.0000 O 0 0 0.2897 3.0749 0.0000 C 0 0 1.1127 3.5489 0.0000 C 0 0 0.2897 4.0249 0.0000 O 0 0 4.5087 -1.0540 0.0000 C 0 0 5.3314 -0.5788 0.0000 C 0 0 4.5087 -2.0000 0.0000 O 0 0 5.3314 -1.5248 0.0000 C 0 0 6.1542 -1.9997 0.0000 O 0 0 5.3315 -2.4748 0.0000 C 0 0 3.3417 -2.8199 0.0000 C 0 0 4.2917 -2.8199 0.0000 O 0 0 2.8677 -3.6429 0.0000 O 0 0 1.9177 -3.6429 0.0000 C 0 0 -2.6202 -0.1230 0.0000 C 0 0 -3.5692 -0.1230 0.0000 O 0 0 -2.1452 -0.9460 0.0000 O 0 0 -1.1952 -0.9460 0.0000 C 0 0 -3.7722 0.6969 0.0000 N 0 0 1.1067 -2.9449 0.0000 C 0 0 0.2277 -3.3059 0.0000 O 0 0 1 31 1 0 1 35 1 0 1 61 1 0 39 2 1 0 2 6 1 0 2 13 1 0 31 3 1 1 4 22 1 0 4 27 1 0 4 26 1 0 26 5 1 6 6 7 1 0 7 8 1 0 7 43 1 0 7 45 1 1 9 8 1 6 9 39 1 0 9 10 1 0 10 11 1 0 11 34 1 6 11 12 1 0 11 56 1 0 12 15 2 0 12 60 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 19 2 0 16 17 1 0 17 18 2 0 18 20 1 0 19 21 1 0 19 60 1 0 20 21 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 30 1 0 25 46 1 6 26 29 1 0 27 28 1 0 29 28 1 1 29 31 1 0 29 32 1 0 30 37 1 0 30 48 1 1 31 37 1 0 32 35 2 0 32 33 1 0 33 34 2 0 34 36 1 0 35 38 1 0 36 38 2 0 36 40 1 0 37 42 1 1 37 52 1 0 40 41 1 0 43 44 1 0 46 47 1 0 48 49 1 0 49 50 2 0 49 51 1 0 52 53 2 0 52 54 1 0 54 55 1 0 56 57 2 0 56 58 1 0 58 59 1 0 61 62 2 0 M END > 67574 > 2068-78-2 $$$$ SciTegic12181810132D 31 34 0 0 1 0 999 V2000 -6.2354 3.6000 0.0000 O 0 0 -1.2990 1.7500 0.0000 H 0 0 -1.2990 -1.7500 0.0000 H 0 0 -0.8097 -2.0868 0.0000 H 0 0 2.4080 -1.7436 0.0000 C 0 0 1 0 0 0 1.7979 -3.1140 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.3061 -2.9572 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5981 1.5000 0.0000 C 0 0 1 0 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -1.5589 2.1000 0.0000 C 0 0 -4.9363 -1.3500 0.0000 C 0 0 2.3947 -0.2606 0.0000 C 0 0 3.3874 -2.8638 0.0000 C 0 0 4.5610 -2.6137 0.0000 O 0 0 3.0175 -4.0053 0.0000 C 0 0 2.8434 -0.3212 0.0000 O 0 0 1.8382 0.7933 0.0000 C 0 0 2.2074 1.9351 0.0000 O 0 0 0.6647 0.5425 0.0000 C 0 0 1 19 2 0 12 2 1 6 13 3 1 1 11 4 1 6 5 6 1 0 5 7 1 0 5 25 1 0 5 28 1 6 6 10 1 0 7 8 1 0 7 11 1 0 7 24 1 1 8 9 1 0 9 12 1 0 10 11 1 0 11 13 1 0 12 14 1 0 12 13 1 0 13 17 1 0 14 15 1 0 14 18 1 0 14 22 1 1 15 16 1 0 16 19 1 0 17 20 2 0 18 21 2 0 18 20 1 0 19 21 1 0 20 23 1 0 25 26 2 0 25 27 1 0 28 29 1 0 29 30 2 0 29 31 1 0 M END > 71423 > 595-33-5 $$$$ SciTegic12181810132D 20 21 0 0 1 0 999 V2000 0.0000 -2.7000 0.0000 O 0 0 3.9511 -0.8815 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 6.9313 -0.7443 0.0000 O 0 0 6.4430 -1.8405 0.0000 C 0 0 4.6873 -4.3927 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 3.0008 0.0000 C 0 0 -1.0389 3.6015 0.0000 F 0 0 1.0394 3.6005 0.0000 F 0 0 0.0005 4.2008 0.0000 F 0 0 1 8 2 0 2 9 1 0 2 12 1 0 3 5 2 0 4 7 1 0 4 8 1 0 4 9 1 0 5 6 1 0 5 16 1 0 6 7 2 0 6 17 1 0 8 16 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 15 1 0 12 14 1 0 13 14 1 0 17 18 1 0 17 19 1 0 17 20 1 0 M END > 75520 > 70-00-8 $$$$ SciTegic12181810132D 16 16 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -2.6024 2.6977 0.0000 O 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2387 0.8917 0.0000 C 0 0 -5.2024 2.6932 0.0000 C 0 0 3.8916 -4.9570 0.0000 C 0 0 -3.8990 0.7455 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 N 0 0 1 2 1 0 1 6 2 0 1 8 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 9 2 0 7 14 1 0 8 16 1 0 10 11 1 0 10 12 1 0 10 14 1 0 13 15 1 0 15 16 1 0 M END > 77213 > 366-70-1 $$$$ SciTegic12181810132D 15 15 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -2.3421 -3.1476 0.0000 O 0 0 -1.3070 -5.2502 0.0000 N 0 0 -2.6078 -5.9988 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.6510 -8.0981 0.0000 Cl 0 0 -0.0101 -6.0056 0.0000 N 0 0 -0.0139 -7.2056 0.0000 O 0 0 1 2 1 0 1 3 1 0 2 5 1 0 3 4 1 0 3 11 1 0 4 6 1 0 5 6 1 0 7 8 2 0 7 9 1 0 7 11 1 0 9 10 1 0 9 14 1 0 10 12 1 0 12 13 1 0 14 15 2 0 M END > 79037 > 13010-47-4 $$$$ SciTegic12181810132D 38 42 0 0 1 0 999 V2000 -1.0393 3.6000 0.0000 O 0 0 3.6373 0.9000 0.0000 O 0 0 -6.4998 -0.7591 0.0000 O 0 0 -3.8994 -0.7523 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2 0 0 0 0.0000 -3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 3.8971 3.7500 0.0000 C 0 0 3.8971 5.2500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 2.5980 6.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 -5.1981 -1.5045 0.0000 C 0 0 -5.1929 -3.0046 0.0000 C 0 0 -6.4894 -3.7591 0.0000 C 0 0 -7.7962 -1.5136 0.0000 C 0 0 -7.7910 -3.0136 0.0000 C 0 0 0.0008 6.0031 0.0000 O 0 0 0.0025 7.2031 0.0000 C 0 0 -8.8281 -3.6172 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 -8.8375 -0.9172 0.0000 C 0 0 -6.4852 -4.9591 0.0000 N 0 0 0.0009 -4.4584 0.0000 C 0 0 1.0404 -3.8589 0.0000 O 0 0 0.0008 -5.6584 0.0000 C 0 0 -2.3526 -4.3244 0.0000 O 0 0 1 21 2 0 2 10 2 0 3 23 1 0 3 26 1 0 19 4 1 6 4 23 1 0 5 9 2 0 5 6 1 0 5 32 1 0 6 15 2 0 6 8 1 0 7 8 1 0 7 14 1 0 7 35 1 0 7 38 1 6 9 10 1 0 9 16 1 0 10 11 1 0 11 17 2 0 11 12 1 0 12 13 2 0 13 18 1 0 14 19 1 0 15 19 1 0 15 20 1 0 16 20 2 0 16 21 1 0 17 21 1 0 17 22 1 0 18 22 2 0 20 31 1 0 22 28 1 0 23 24 1 0 24 25 1 0 25 27 1 0 25 34 1 0 26 27 1 0 26 33 1 0 27 30 1 0 28 29 1 0 35 36 2 0 35 37 1 0 M END > 82151 > 23541-50-6 $$$$ SciTegic12181810132D 18 17 0 0 1 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 2 0 0 0 3.9000 0.7500 0.0000 C 0 0 2 0 0 0 5.2000 0.0000 0.0000 C 0 0 1 0 0 0 6.5000 0.7500 0.0000 C 0 0 1 0 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 N 0 0 9.0999 1.9500 0.0000 O 0 0 2.6000 -1.2000 0.0000 O 0 0 3.9000 1.9500 0.0000 O 0 0 5.2000 -1.2000 0.0000 O 0 0 10.3999 -1.2000 0.0000 C 0 0 7.7999 0.0000 0.0000 N 0 0 6.4969 2.2508 0.0000 C 0 0 5.4568 2.8494 0.0000 O 0 0 0.2606 0.1503 0.0000 O 0 0 11.6999 0.7500 0.0000 N 0 0 12.7393 0.1503 0.0000 O 0 0 1 2 1 0 1 16 1 0 2 3 1 0 2 9 1 6 3 4 1 0 3 10 1 1 4 5 1 0 4 11 1 1 5 13 1 6 5 14 1 0 6 7 1 0 6 8 2 0 6 13 1 0 7 12 1 0 7 17 1 0 14 15 2 0 17 18 2 0 M END > 85998 > 18883-66-4 $$$$ SciTegic12181810132D 0 0 0 0 0 0 999 V2000 M END > 92859 > 1327-53-3 $$$$ SciTegic12181810132D 17 18 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2149 3.8587 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2121 3.8625 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 -0.7536 5.2860 0.0000 C 0 0 1.4501 6.2603 0.0000 O 0 0 2.3518 3.4867 0.0000 O 0 0 0.0000 -2.7000 0.0000 N 0 0 -1.6387 6.4949 0.0000 C 0 0 -2.8318 6.3658 0.0000 O 0 0 1 8 2 0 1 6 1 0 2 9 1 0 2 12 1 0 3 7 1 0 3 8 1 0 3 9 1 0 4 6 2 0 4 7 1 0 5 7 2 0 6 15 1 0 9 10 1 0 10 11 1 0 10 14 1 0 11 12 1 0 11 13 1 0 12 16 1 0 16 17 1 0 M END > 102816 > 320-67-2 $$$$ SciTegic12181810132D 20 22 0 0 1 0 999 V2000 -4.6405 -2.9668 0.0000 O 0 0 -4.7578 -4.4622 0.0000 C 0 0 -3.3718 -5.0359 0.0000 C 0 0 -2.3979 -3.8950 0.0000 C 0 0 -3.1884 -2.6409 0.0000 C 0 0 -1.4005 -3.9670 0.0000 H 0 0 -6.0366 -5.2428 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 N 0 0 -7.0905 -4.6689 0.0000 O 0 0 2.3383 -1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 N 0 0 -3.0913 -6.2027 0.0000 O 0 0 1 2 1 0 1 5 1 0 2 3 1 0 2 7 1 0 3 4 1 0 3 20 1 0 4 5 1 0 4 6 1 0 5 16 1 0 7 17 1 0 8 9 2 0 8 13 1 0 8 18 1 0 9 10 1 0 10 11 2 0 10 19 1 0 11 12 1 0 11 14 1 0 12 13 2 0 12 16 1 0 14 15 2 0 15 16 1 0 M END > 105014 > 4291-63-8 $$$$ SciTegic12181810132D 14 14 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 P 0 0 -1.2990 0.7500 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.6003 1.4978 0.0000 C 0 0 3.8990 0.7455 0.0000 C 0 0 4.9395 1.3434 0.0000 Cl 0 0 -2.6000 1.4585 0.0000 C 0 0 -3.8999 2.2087 0.0000 C 0 0 -4.9394 1.6091 0.0000 Cl 0 0 1.0536 2.0744 0.0000 O 0 0 -1.2999 2.2084 0.0000 N 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 1 0 3 13 2 0 3 14 1 0 4 5 1 0 5 6 1 0 7 8 1 0 8 9 1 0 10 11 1 0 10 14 1 0 11 12 1 0 M END > 109724 > 3778-73-2 $$$$ SciTegic12181810132D 0 0 0 0 0 0 999 V2000 M END > 119875 > 15663-27-1 $$$$ SciTegic12181810132D 22 22 0 0 1 0 999 V2000 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9117 -8.2482 0.0000 C 0 0 -3.9148 -9.7490 0.0000 C 0 0 -5.2156 -10.4976 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2707 -1.9497 0.0000 C 0 0 2.3239 -0.1258 0.0000 C 0 0 -2.3383 -1.3500 0.0000 C 0 0 -0.2688 -5.8520 0.0000 C 0 0 -2.8766 -10.3508 0.0000 C 0 0 -5.2187 -11.9984 0.0000 C 0 0 -6.2588 -12.5969 0.0000 O 0 0 -4.1805 -12.6002 0.0000 O 0 0 1 2 2 0 1 11 1 0 2 3 1 0 3 4 2 0 3 18 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 19 1 0 8 20 1 0 9 10 1 0 9 11 1 0 9 15 1 0 9 16 1 0 10 13 1 0 11 12 2 0 12 14 1 0 12 17 1 0 13 14 1 0 20 21 2 0 20 22 1 0 M END > 122758 > 302-79-4 $$$$ SciTegic12181810132D 49 56 0 0 1 0 999 V2000 1.3576 8.2973 0.0000 S 0 0 1.6105 5.2165 0.0000 O 0 0 -1.2780 8.2495 0.0000 C 0 0 2 0 0 0 3.7123 4.0030 0.0000 O 0 0 0.0185 7.4950 0.0000 O 0 0 -2.5796 7.5040 0.0000 O 0 0 0.0133 5.9950 0.0000 C 0 0 -1.2935 3.7495 0.0000 O 0 0 -2.5973 1.5031 0.0000 O 0 0 0.8097 -2.0868 0.0000 H 0 0 -2.2121 -0.3422 0.0000 H 0 0 0.4980 -3.8480 0.0000 O 0 0 -1.7978 -3.1140 0.0000 O 0 0 5.1993 -2.9963 0.0000 C 0 0 5.1969 -1.4963 0.0000 C 0 0 3.9014 -3.7484 0.0000 C 0 0 2.6012 -3.0004 0.0000 C 0 0 3.8967 -0.7484 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -0.3061 -2.9572 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -2.4080 -1.7437 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 3.0000 0.0000 C 0 0 3.1022 5.3733 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5848 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 0.0235 8.9547 0.0000 C 0 0 0.2013 10.4312 0.0000 C 0 0 1.6765 10.7033 0.0000 C 0 0 2.3910 9.3844 0.0000 C 0 0 6.4939 -0.7411 0.0000 O 0 0 6.4903 0.4589 0.0000 C 0 0 -4.9235 5.8620 0.0000 O 0 0 -4.9329 3.1621 0.0000 O 0 0 6.2395 -3.5946 0.0000 O 0 0 3.9007 -5.2492 0.0000 O 0 0 2.8616 -5.8494 0.0000 C 0 0 -2.1538 8.7320 0.0000 H 0 0 1 38 1 0 1 41 1 0 2 28 1 0 2 32 1 0 3 5 1 0 3 6 1 0 3 38 1 0 3 49 1 1 4 25 1 0 4 32 1 0 5 7 1 0 6 34 1 0 7 33 1 0 8 33 1 0 8 37 1 0 30 9 1 6 9 37 1 0 22 10 1 6 26 11 1 1 12 23 2 0 13 23 1 0 13 29 1 0 14 16 2 0 14 15 1 0 14 46 1 0 15 18 2 0 15 42 1 0 16 17 1 0 16 47 1 0 17 19 2 0 18 19 1 0 20 19 1 1 20 21 1 0 20 22 1 0 21 27 2 0 21 24 1 0 22 23 1 0 22 26 1 0 24 25 2 0 25 28 1 0 26 29 1 0 26 30 1 0 27 30 1 0 27 31 1 0 28 31 2 0 33 34 1 0 34 35 1 0 35 36 1 0 35 44 1 0 36 37 1 0 36 45 1 0 38 39 2 0 39 40 1 0 40 41 2 0 42 43 1 0 47 48 1 0 M END > 122819 > 29767-20-2 $$$$ SciTegic12181810132D 39 43 0 0 1 0 999 V2000 -3.6373 -0.9000 0.0000 O 0 0 1.0392 -3.6000 0.0000 O 0 0 -2.5925 6.0085 0.0000 O 0 0 -1.2982 3.7531 0.0000 O 0 0 3.8615 2.2285 0.0000 C 0 0 3.8622 0.7276 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 2 0 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -1.2961 5.2539 0.0000 C 0 0 0.0055 5.9995 0.0000 C 0 0 0.0107 7.4995 0.0000 C 0 0 -2.5874 7.5085 0.0000 C 0 0 -1.2857 8.2540 0.0000 C 0 0 -5.1984 -3.0023 0.0000 O 0 0 -6.2368 -3.6038 0.0000 C 0 0 -1.2816 9.4540 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 -3.6245 8.1121 0.0000 C 0 0 1.0520 8.0959 0.0000 N 0 0 2.5686 4.1997 0.0000 O 0 0 4.9013 0.1274 0.0000 O 0 0 4.9007 2.8286 0.0000 O 0 0 1 23 2 0 2 12 2 0 3 25 1 0 3 28 1 0 21 4 1 1 4 25 1 0 9 5 1 0 5 39 2 0 5 6 1 0 6 38 1 0 7 8 2 0 7 11 1 0 7 34 1 0 8 10 1 0 8 17 1 0 9 10 1 0 9 16 1 0 9 37 1 1 11 18 2 0 11 12 1 0 12 13 1 0 13 19 2 0 13 14 1 0 14 15 2 0 15 20 1 0 16 21 1 0 17 22 2 0 17 21 1 0 18 22 1 0 18 23 1 0 19 23 1 0 19 24 1 0 20 24 2 0 22 33 1 0 24 30 1 0 25 26 1 0 26 27 1 0 27 29 1 0 27 36 1 0 28 29 1 0 28 35 1 0 29 32 1 0 30 31 1 0 M END > 123127 > 25316-40-9 $$$$ SciTegic12181810132D 105110 0 0 1 0 999 V2000 -7.4244 5.4215 0.0000 O 0 0 -6.8164 5.0704 0.0000 C 0 0 -6.2084 4.0175 0.0000 C 0 0 1 0 0 0 -4.9914 4.0164 0.0000 C 0 0 -4.3834 4.3685 0.0000 C 0 0 1 0 0 0 -3.7754 4.0164 0.0000 C 0 0 -6.8164 4.3685 0.0000 C 0 0 -6.2084 5.4215 0.0000 N 0 0 -6.2084 4.7214 0.0000 H 0 0 -4.3834 3.6644 0.0000 H 0 0 -3.7754 3.3125 0.0000 O 0 0 -4.3834 5.0725 0.0000 N 0 0 -3.1675 4.3685 0.0000 N 0 0 -6.2084 3.3134 0.0000 C 0 0 -6.8174 2.9615 0.0000 N 0 0 -6.8174 2.2575 0.0000 C 0 0 -6.2084 1.9055 0.0000 C 0 0 -5.5984 2.2575 0.0000 C 0 0 -5.5984 2.9615 0.0000 N 0 0 -5.5994 4.3685 0.0000 N 0 0 -4.9884 1.9055 0.0000 C 0 0 -4.3794 2.2575 0.0000 O 0 0 -4.3794 0.8495 0.0000 C 0 0 2 0 0 0 -3.7694 1.2015 0.0000 C 0 0 -4.3794 0.1454 0.0000 C 0 0 -4.3794 1.5535 0.0000 H 0 0 -3.7694 1.9055 0.0000 O 0 0 -2.5504 1.2015 0.0000 C 0 0 2 0 0 0 -2.5504 1.9055 0.0000 C 0 0 2 0 0 0 -2.5504 0.4975 0.0000 H 0 0 -1.9404 2.2565 0.0000 C 0 0 1 0 0 0 -2.5504 2.6095 0.0000 H 0 0 -1.3304 1.9055 0.0000 C 0 0 -1.9404 1.5535 0.0000 H 0 0 -1.3304 1.2015 0.0000 O 0 0 -0.1114 1.9055 0.0000 C 0 0 2 0 0 0 0.4985 2.2565 0.0000 C 0 0 -0.1114 1.2015 0.0000 C 0 0 1 0 0 0 -0.1114 2.6085 0.0000 H 0 0 -0.1114 0.4965 0.0000 H 0 0 0.4985 2.9615 0.0000 O 0 0 1.1074 1.2015 0.0000 C 0 0 1.7175 0.8485 0.0000 C 0 0 2.8965 0.7874 0.0000 S 0 0 2.3275 1.2015 0.0000 C 0 0 2.5445 1.8705 0.0000 N 0 0 3.4665 1.2015 0.0000 C 0 0 3.2485 1.8705 0.0000 C 0 0 4.2395 2.5134 0.0000 S 0 0 3.5354 2.5134 0.0000 C 0 0 3.3175 3.1835 0.0000 N 0 0 3.8875 3.5965 0.0000 C 0 0 4.4565 3.1835 0.0000 C 0 0 3.8875 4.3015 0.0000 C 0 0 3.2775 4.6535 0.0000 O 0 0 5.1065 4.3015 0.0000 C 0 0 5.7165 4.6525 0.0000 C 0 0 6.3254 4.3015 0.0000 C 0 0 6.9354 4.6525 0.0000 S 0 3 -4.9884 1.2015 0.0000 N 0 0 -3.1594 0.8495 0.0000 N 0 0 -0.7204 2.2565 0.0000 N 0 0 1.1074 1.9055 0.0000 N 0 0 4.4965 4.6525 0.0000 N 0 0 -4.9884 -0.2064 0.0000 O 0 0 -4.3794 -0.5584 0.0000 H 0 0 -3.7694 -0.2064 0.0000 C 0 0 -3.7694 -0.9104 0.0000 C 0 0 -2.6864 -0.5584 0.0000 C 0 0 -3.0994 0.0104 0.0000 N 0 0 -3.0994 -1.1284 0.0000 N 0 0 -5.6224 -1.2254 0.0000 O 0 0 -5.0124 -0.8734 0.0000 C 0 0 -5.3094 -1.7564 0.0000 C 0 0 -6.0574 -1.5884 0.0000 C 0 0 -6.7014 -2.0284 0.0000 C 0 0 -6.9354 -1.5774 0.0000 C 0 0 -6.3264 -1.2254 0.0000 C 0 0 -4.7094 -2.1114 0.0000 O 0 0 -4.7224 -2.8274 0.0000 C 0 0 -4.0414 -3.1795 0.0000 O 0 0 -2.9534 -4.1144 0.0000 C 0 0 -4.3994 -3.7534 0.0000 C 0 0 -2.7984 -3.5315 0.0000 C 0 0 -3.4084 -3.1795 0.0000 C 0 0 -3.7394 -5.0655 0.0000 C 0 0 -4.3515 -5.4124 0.0000 O 0 0 -6.0344 -0.6214 0.0000 O 0 0 -6.7024 -2.7044 0.0000 O 0 0 -2.1884 -3.1795 0.0000 O 0 0 -2.3724 -3.7774 0.0000 O 0 0 -4.3964 -4.3324 0.0000 O 0 0 -3.1314 -5.4215 0.0000 N 0 0 -3.7344 -4.3615 0.0000 O 0 0 -3.7654 -3.5774 0.0000 C 0 0 -6.2084 1.2015 0.0000 C 0 0 -1.9404 0.8485 0.0000 C 0 0 -1.9404 2.9615 0.0000 C 0 0 0.4985 0.8485 0.0000 C 0 0 7.5454 4.3015 0.0000 C 0 0 6.9354 5.3565 0.0000 C 0 0 -7.5454 -1.2254 0.0000 O 0 0 -3.1594 2.2575 0.0000 O 0 0 -0.7204 0.8485 0.0000 O 0 0 -7.4274 1.9055 0.0000 N 0 0 1 2 2 0 2 7 1 0 2 8 1 0 3 7 1 0 3 9 1 1 3 14 1 0 3 20 1 0 4 5 1 0 4 20 1 0 5 6 1 0 5 10 1 1 5 12 1 0 6 11 2 0 6 13 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 16105 1 0 17 18 1 0 17 96 1 0 18 19 2 0 18 21 1 0 21 22 2 0 21 60 1 0 23 24 1 0 23 25 1 0 23 26 1 1 23 60 1 0 24 27 2 0 24 61 1 0 25 65 1 0 25 66 1 0 25 67 1 0 28 29 1 0 28 30 1 6 28 61 1 0 28 97 1 0 29 31 1 0 29 32 1 6 29103 1 0 31 33 1 0 31 34 1 1 31 98 1 0 33 35 2 0 33 62 1 0 36 37 1 0 36 38 1 0 36 39 1 1 36 62 1 0 37 41 2 0 37 63 1 0 38 40 1 6 38104 1 0 38 99 1 0 42 43 1 0 42 63 1 0 43 45 1 0 44 45 1 0 44 47 1 0 45 46 2 0 46 48 1 0 47 48 2 0 48 50 1 0 49 50 1 0 49 53 1 0 50 51 2 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 2 0 54 64 1 0 56 57 1 0 56 64 1 0 57 58 1 0 58 59 1 0 59100 1 0 59101 1 0 65 73 1 0 67 68 2 0 67 70 1 0 68 71 1 0 69 70 2 0 69 71 1 0 72 73 1 0 72 78 1 0 73 74 1 0 74 75 1 0 74 79 1 0 75 76 1 0 75 88 1 0 76 78 1 0 76 89 1 0 77 78 1 0 77102 1 0 79 80 1 0 80 81 1 0 80 83 1 0 81 85 1 0 82 85 1 0 82 91 1 0 82 95 1 0 83 92 1 0 83 95 1 0 84 85 1 0 84 90 1 0 86 87 2 0 86 93 1 0 86 94 1 0 94 95 1 0 M CHG 1 59 1 M END > 125066 > 9041-93-4 $$$$ SciTegic12181810132D 63 69 0 0 1 0 999 V2000 1.7293 1.2365 0.0000 C 0 0 1 0 0 0 2.6843 -1.0684 0.0000 C 0 0 1 0 0 0 3.3593 -0.3984 0.0000 C 0 0 1 0 0 0 3.3593 0.5615 0.0000 C 0 0 2 0 0 0 2.6843 1.2365 0.0000 C 0 0 2.9793 2.0865 0.0000 O 0 0 4.1913 -0.8784 0.0000 C 0 0 1 0 0 0 5.0223 -0.3984 0.0000 C 0 0 1 0 0 0 5.0223 0.5615 0.0000 C 0 0 4.1913 1.0415 0.0000 C 0 0 2 0 0 0 1.8323 -0.0754 0.0000 C 0 0 1.0543 0.5615 0.0000 C 0 0 0.2023 0.1535 0.0000 C 0 0 0.0703 -0.7874 0.0000 C 0 0 2 0 0 0 0.8193 -1.3724 0.0000 C 0 0 1.7293 -1.0684 0.0000 C 0 0 1 0 0 0 5.6793 -1.2134 0.0000 O 0 0 4.9693 -1.6334 0.0000 C 0 0 3.4493 -1.1834 0.0000 H 0 0 2.9493 -2.1234 0.0000 O 0 0 -0.8106 -1.1434 0.0000 O 0 0 -1.5586 -0.5584 0.0000 C 0 0 -2.4396 -0.9145 0.0000 C 0 0 1 0 0 0 -1.4266 0.3825 0.0000 O 0 0 -3.1886 -0.3295 0.0000 C 0 0 2 0 0 0 -3.8046 1.1965 0.0000 C 0 0 -4.6856 0.8405 0.0000 O 0 0 1.3653 2.1145 0.0000 O 0 0 0.4134 2.2395 0.0000 C 0 0 -0.1706 1.4777 0.0000 O 0 0 0.0458 3.1263 0.0000 C 0 0 4.2293 1.8465 0.0000 O 0 0 4.2293 -1.8134 0.0000 O 0 0 5.0794 -2.2593 0.0000 C 0 0 5.8906 -1.7459 0.0000 O 0 0 5.1184 -3.2185 0.0000 C 0 0 2.2673 -2.7845 0.0000 C 0 0 2.4983 -3.7064 0.0000 O 0 0 1.5193 -1.8434 0.0000 O 0 0 1.3533 -2.5245 0.0000 C 0 0 0.6641 -3.1928 0.0000 C 0 0 -0.2592 -2.9301 0.0000 C 0 0 -0.4934 -1.9991 0.0000 C 0 0 0.1957 -1.3308 0.0000 C 0 0 1.1190 -1.5935 0.0000 C 0 0 -3.6726 2.1365 0.0000 C 0 0 -4.4292 2.7274 0.0000 C 0 0 -4.2957 3.6781 0.0000 C 0 0 -3.4057 4.0378 0.0000 C 0 0 -2.6491 3.4468 0.0000 C 0 0 -2.7826 2.4962 0.0000 C 0 0 -4.0686 -0.6854 0.0000 C 0 0 -4.2018 -1.6361 0.0000 C 0 0 -5.0918 -1.9962 0.0000 C 0 0 -5.8485 -1.4055 0.0000 C 0 0 -5.7153 -0.4548 0.0000 C 0 0 -4.8254 -0.0948 0.0000 C 0 0 -3.0556 0.6115 0.0000 N 0 0 -2.7236 -1.8554 0.0000 O 0 0 3.4193 1.2965 0.0000 C 0 0 2.7693 -0.1234 0.0000 C 0 0 2.3293 0.6965 0.0000 C 0 0 -0.5636 0.7145 0.0000 C 0 0 1 5 1 0 1 12 1 0 1 28 1 1 2 3 1 0 2 16 1 0 2 20 1 6 3 4 1 0 3 7 1 0 3 19 1 6 4 5 1 0 4 10 1 0 4 60 1 1 5 6 2 0 7 8 1 0 7 18 1 0 7 33 1 6 8 9 1 1 8 17 1 0 9 10 1 0 10 32 1 1 11 12 1 0 11 16 1 0 11 61 1 0 11 62 1 0 12 13 2 0 13 14 1 0 13 63 1 0 14 15 1 0 14 21 1 6 15 16 1 0 16 39 1 1 17 18 1 0 20 37 1 0 21 22 1 0 22 23 1 0 22 24 2 0 23 25 1 0 23 59 1 6 25 52 1 0 25 58 1 6 26 27 2 0 26 46 1 0 26 58 1 0 28 29 1 0 29 30 2 0 29 31 1 0 33 34 1 0 34 35 2 0 34 36 1 0 37 38 2 0 37 40 1 0 40 41 2 0 40 45 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 46 47 2 0 46 51 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 52 53 2 0 52 57 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 M END > 125973 > 33069-62-4 $$$$ SciTegic12181810132D 16 17 0 0 1 0 999 V2000 0.0000 -2.7000 0.0000 O 0 0 -6.4430 -1.8405 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -3.9511 -0.8815 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.7343 -2.9815 0.0000 C 0 0 -4.2010 -3.2957 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 -6.9313 -0.7443 0.0000 O 0 0 -4.6873 -4.3927 0.0000 O 0 0 2.3383 1.3500 0.0000 N 0 0 1 9 2 0 2 13 1 0 2 14 1 0 3 7 2 0 3 9 1 0 4 10 1 0 4 13 1 0 5 8 1 0 5 9 1 0 5 10 1 0 6 8 2 0 6 7 1 0 7 16 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 15 1 0 M END > 127716 > 2353-33-5 $$$$ SciTegic12181810132D 23 24 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 N 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 3.8999 0.7576 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 3.8916 4.9570 0.0000 Cl 0 0 5.1972 1.5122 0.0000 C 0 0 6.2387 0.9161 0.0000 Cl 0 0 -5.1047 0.0031 0.0000 C 0 0 -5.8532 1.3039 0.0000 C 0 0 -7.3541 1.3070 0.0000 C 0 0 -3.0955 -2.3548 0.0000 C 0 0 -8.1026 2.6079 0.0000 C 0 0 -9.3026 2.6104 0.0000 O 0 0 -7.5008 3.6460 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 10 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 9 1 0 7 8 2 0 8 9 1 0 8 17 1 0 9 20 1 0 10 11 1 0 10 12 1 0 11 13 1 0 12 15 1 0 13 14 1 0 15 16 1 0 17 18 1 0 18 19 1 0 19 21 1 0 21 22 2 0 21 23 1 0 M END > 138783 > 3543-75-7 $$$$ SciTegic12181810132D 46 52 0 0 1 0 999 V2000 -2.8199 0.0749 0.0000 O 0 0 -2.0199 1.4349 0.0000 O 0 0 -1.1679 -1.6549 0.0000 O 0 0 -0.7779 -4.1549 0.0000 O 0 0 0.5420 -2.4749 0.0000 O 0 0 0.9820 -2.1849 0.0000 O 0 0 0.9820 0.5049 0.0000 H 0 0 1.4110 -1.1079 0.0000 H 0 0 1.7429 1.7749 0.0000 H 0 0 1.7429 -0.8650 0.0000 H 0 0 2.5399 2.2449 0.0000 O 0 0 3.2799 0.9350 0.0000 O 0 0 0.9820 4.0450 0.0000 C 0 0 1.7429 3.6059 0.0000 C 0 0 0.2199 3.6059 0.0000 C 0 0 1.7429 2.7260 0.0000 C 0 0 0.2199 2.7260 0.0000 C 0 0 0.9820 2.2860 0.0000 C 0 0 0.9820 1.3949 0.0000 C 0 0 2 0 0 0 0.2199 0.9549 0.0000 C 0 0 1.7429 0.9549 0.0000 C 0 0 1 0 0 0 2.5399 1.3550 0.0000 C 0 0 -0.5419 1.3949 0.0000 C 0 0 -1.3039 0.9549 0.0000 C 0 0 1.7429 0.0749 0.0000 C 0 0 1 0 0 0 0.2199 0.0749 0.0000 C 0 0 -1.3039 0.0749 0.0000 C 0 0 0.9820 -0.3640 0.0000 C 0 0 1 0 0 0 -0.5419 -0.3640 0.0000 C 0 0 -2.8199 0.9549 0.0000 C 0 0 3.2799 0.0749 0.0000 C 0 0 -2.0979 -2.5249 0.0000 C 0 0 -0.3379 -2.4749 0.0000 C 0 0 -0.7779 -3.2369 0.0000 C 0 0 -0.3379 -3.9990 0.0000 C 0 0 0.5420 -3.9990 0.0000 C 0 0 0.9820 -3.2369 0.0000 C 0 0 -3.0680 -2.5249 0.0000 C 0 0 -0.6160 4.0879 0.0000 O 0 0 -1.3778 3.6475 0.0000 C 0 0 -0.3379 -1.6549 0.0000 C 0 0 -0.3379 -3.1849 0.0000 O 0 0 0.5420 -4.9249 0.0000 O 0 0 0.9820 4.8859 0.0000 O 0 0 2.4470 4.0120 0.0000 O 0 0 3.2088 3.5716 0.0000 C 0 0 1 27 1 0 1 30 1 0 2 24 1 0 2 30 1 0 3 32 1 0 3 41 1 0 4 32 1 0 4 34 1 0 5 33 1 0 5 37 1 0 28 6 1 0 6 37 1 0 19 7 1 6 28 8 1 1 21 9 1 6 25 10 1 1 11 22 2 0 12 22 1 0 12 31 1 0 13 14 2 0 13 15 1 0 13 44 1 0 14 16 1 0 14 45 1 0 15 17 2 0 15 39 1 0 16 18 2 0 17 18 1 0 19 18 1 0 19 20 1 0 19 21 1 0 20 26 2 0 20 23 1 0 21 22 1 0 21 25 1 0 23 24 2 0 24 27 1 0 25 31 1 0 25 28 1 0 26 28 1 0 26 29 1 0 27 29 2 0 32 38 1 0 33 34 1 0 33 41 1 0 34 35 1 0 35 36 1 0 35 42 1 0 36 37 1 0 36 43 1 0 39 40 1 0 45 46 1 0 M END > 141540 > 33419-42-0 $$$$ SciTegic12181810132D 20 21 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 0.0031 3.0008 0.0000 C 0 0 1.3039 3.7494 0.0000 C 0 0 1 0 0 0 1.3070 5.2502 0.0000 N 0 0 2.6075 5.9976 0.0000 C 0 0 2.6106 7.4976 0.0000 C 0 0 0.0125 7.5029 0.0000 C 0 0 0.0095 6.0029 0.0000 C 0 0 -1.0254 8.1050 0.0000 O 0 0 3.6511 8.0954 0.0000 O 0 0 2.3421 3.1476 0.0000 C 0 0 1.3131 8.2502 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 1.3023 2.7494 0.0000 H 0 0 1 5 1 0 1 6 2 0 1 19 1 0 2 3 1 0 2 7 2 0 2 19 1 0 3 4 1 0 4 5 1 0 4 8 1 0 8 9 1 0 9 10 1 0 9 17 1 0 9 20 1 6 10 11 1 0 10 14 1 0 11 12 1 0 12 16 2 0 12 18 1 0 13 14 1 0 13 15 2 0 13 18 1 0 M END > 169780 > 24584-09-6 $$$$ SciTegic12181810132D 28 30 0 0 1 0 999 V2000 -0.0031 -3.0008 0.0000 O 0 0 -0.0031 3.0008 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3025 5.2502 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.2631 5.8499 0.0000 C 0 0 -2.6031 2.9979 0.0000 C 0 0 -3.9043 3.7442 0.0000 C 0 0 -5.2012 2.9905 0.0000 C 0 0 -5.1970 1.4905 0.0000 C 0 0 -3.8958 0.7442 0.0000 C 0 0 -2.5989 1.4979 0.0000 C 0 0 1.2953 3.7535 0.0000 C 0 0 1.2948 5.2536 0.0000 C 0 0 2.5936 6.0040 0.0000 C 0 0 3.8929 5.2545 0.0000 C 0 0 3.8935 3.7545 0.0000 C 0 0 2.5947 3.0040 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6078 -5.9988 0.0000 N 0 0 -2.6103 -7.1988 0.0000 C 0 0 -3.6460 -5.3970 0.0000 C 0 0 1 6 1 0 1 24 1 0 2 3 2 0 2 8 1 0 2 18 1 0 3 4 1 0 3 12 1 0 4 11 1 0 5 7 2 0 5 6 1 0 6 9 2 0 7 8 1 0 8 10 2 0 9 10 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 M END > 180973 > 54965-24-1 $$$$ SciTegic12181810132D 20 22 0 0 1 0 999 V2000 5.6565 -5.8492 0.0000 C 0 0 3.1908 -4.8249 0.0000 O 0 0 2.6408 -3.4482 0.0000 C 0 0 3.7580 -2.4651 0.0000 C 0 0 5.0368 -3.2492 0.0000 C 0 0 4.6862 -4.7076 0.0000 C 0 0 5.2540 -6.9797 0.0000 O 0 0 6.1456 -2.7903 0.0000 O 0 0 1.2135 -2.9844 0.0000 N 0 0 0.0000 -3.8661 0.0000 C 0 0 -1.2135 -2.9844 0.0000 N 0 0 1.6852 -0.3846 0.0000 N 0 0 1.3514 1.0778 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 2 0 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -2.3430 0.3686 0.0000 H 0 0 0.0000 1.7286 0.0000 N 0 0 -2.0043 -1.5415 0.0000 O 0 0 1 6 1 0 1 7 1 0 2 3 1 0 2 6 1 0 3 4 1 0 3 9 1 0 4 5 1 0 5 6 1 0 5 8 1 0 9 10 1 0 9 17 1 0 10 11 2 0 11 16 1 0 12 13 2 0 12 17 1 0 13 19 1 0 14 15 1 0 14 19 1 0 15 16 1 0 15 18 1 1 15 20 1 0 16 17 2 0 M END > 218321 > 53910-25-1 $$$$ SciTegic12181810132D 65 68 0 0 1 0 999 V2000 4.9903 8.0525 0.0000 C 0 0 1 0 0 0 5.2453 6.5743 0.0000 C 0 0 1 0 0 0 4.0927 5.6144 0.0000 C 0 0 2.6850 6.1326 0.0000 C 0 0 1 0 0 0 2.4301 7.6108 0.0000 C 0 0 3.5827 8.5707 0.0000 C 0 0 5.9124 8.8204 0.0000 O 0 0 6.6548 6.0587 0.0000 O 0 0 7.5758 6.8280 0.0000 C 0 0 1.5337 5.1698 0.0000 C 0 0 1.7909 3.6911 0.0000 C 0 0 2 0 0 0 0.6400 2.7300 0.0000 C 0 0 2 0 0 0 2.9178 3.2785 0.0000 C 0 0 0.8000 1.1200 0.0000 C 0 0 -0.7100 3.2100 0.0000 O 0 0 2.0600 0.3500 0.0000 C 0 0 3.4300 0.8000 0.0000 C 0 0 1 0 0 0 1.9216 -0.8420 0.0000 O 0 0 4.3600 -0.3900 0.0000 C 0 0 5.8000 -0.4000 0.0000 C 0 0 3.7789 1.9482 0.0000 C 0 0 6.4400 -1.8000 0.0000 C 0 0 2 0 0 0 5.5100 -3.1600 0.0000 C 0 0 2 0 0 0 6.4521 0.6074 0.0000 C 0 0 7.6356 -1.9025 0.0000 O 0 0 6.5100 -4.2800 0.0000 C 0 0 7.6623 -3.9451 0.0000 O 0 0 6.2500 -5.8600 0.0000 C 0 0 1 0 0 0 4.8700 -6.7500 0.0000 C 0 0 -1.9000 2.2900 0.0000 C 0 0 -1.8636 1.0906 0.0000 O 0 0 -3.1200 3.1200 0.0000 C 0 0 2 0 0 0 -2.6400 4.4900 0.0000 C 0 0 -3.4600 5.5000 0.0000 C 0 0 -4.8400 5.2900 0.0000 C 0 0 -5.4800 3.8300 0.0000 C 0 0 -4.5400 2.3900 0.0000 N 0 0 -6.1000 2.2500 0.0000 C 0 0 -6.8303 3.2022 0.0000 O 0 0 -6.6100 0.8600 0.0000 C 0 0 -5.7904 -0.0165 0.0000 O 0 0 -8.0800 0.4300 0.0000 C 0 0 1 0 0 0 -9.7100 0.0100 0.0000 C 0 0 1 0 0 0 -10.1800 -1.4400 0.0000 C 0 0 -9.2500 -2.5000 0.0000 C 0 0 -7.8600 -2.2400 0.0000 C 0 0 2 0 0 0 -7.2300 -0.9300 0.0000 O 0 0 -6.8600 -3.4400 0.0000 C 0 0 -5.3700 -2.8300 0.0000 C 0 0 1 0 0 0 -4.1200 -3.7800 0.0000 C 0 0 -2.6300 -3.1700 0.0000 C 0 0 -1.4100 -4.1500 0.0000 C 0 0 0.1200 -3.6900 0.0000 C 0 0 1.1200 -4.8600 0.0000 C 0 0 2.7800 -4.7900 0.0000 C 0 0 3.3400 -6.2300 0.0000 C 0 0 1 0 0 0 -8.3982 1.5870 0.0000 O 0 0 -4.2763 -4.9698 0.0000 C 0 0 2.5100 -7.0967 0.0000 C 0 0 7.2534 -6.5182 0.0000 C 0 0 -5.1674 -1.3437 0.0000 O 0 0 -6.1155 -0.6081 0.0000 C 0 0 4.0182 -3.2790 0.0000 O 0 0 3.3364 -2.2915 0.0000 C 0 0 -10.5321 0.8841 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 7 1 1 2 3 1 0 2 8 1 6 3 4 1 0 4 5 1 0 4 10 1 6 5 6 1 0 8 9 1 0 10 11 1 0 11 12 1 0 11 13 1 1 12 14 1 6 12 15 1 0 14 16 1 0 15 30 1 0 16 17 1 0 16 18 2 0 17 19 1 0 17 21 1 6 19 20 2 0 20 22 1 0 20 24 1 0 22 23 1 0 22 25 1 1 23 26 1 0 23 63 1 6 26 27 2 0 26 28 1 0 28 29 1 0 28 60 1 6 29 56 1 0 30 31 2 0 32 30 1 0 32 33 1 1 32 37 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 42 47 1 0 42 57 1 1 43 44 1 0 43 65 1 1 44 45 1 0 46 45 1 6 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 49 61 1 6 50 51 2 0 50 58 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 55 56 1 0 56 59 1 6 61 62 1 0 63 64 1 0 M END > 226080 > 53123-88-9 $$$$ SciTegic12181810132D 0 0 0 0 0 0 999 V2000 M END > 241240 > 41575-94-4 $$$$ SciTegic12181810132D 51 55 0 0 1 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 -1.2935 8.2585 0.0000 O 0 0 0.0008 6.0031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 3.8971 3.7500 0.0000 C 0 0 3.8971 5.2500 0.0000 C 0 0 1 0 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 2.5980 6.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 2 0 0 0 0.0029 7.5039 0.0000 C 0 0 1.3046 8.2495 0.0000 C 0 0 1.3097 9.7495 0.0000 C 0 0 -1.2883 9.7585 0.0000 C 0 0 0.0133 10.5040 0.0000 C 0 0 -3.8994 -0.7523 0.0000 O 0 0 -4.9378 -1.3537 0.0000 C 0 0 0.0174 11.7040 0.0000 O 0 0 -1.0393 3.6000 0.0000 O 0 0 3.6373 0.9000 0.0000 O 0 0 -2.3255 10.3621 0.0000 C 0 0 3.8677 6.4497 0.0000 O 0 0 5.1606 4.4785 0.0000 C 0 0 5.1612 2.9777 0.0000 C 0 0 6.4608 2.2270 0.0000 O 0 0 6.4615 0.7262 0.0000 C 0 0 7.7611 -0.0245 0.0000 C 0 0 7.7617 -1.5253 0.0000 C 0 0 9.0613 -2.2760 0.0000 C 0 0 6.1997 5.0786 0.0000 O 0 0 5.4223 0.1260 0.0000 O 0 0 3.9097 9.7360 0.0000 C 0 0 3.9035 8.5360 0.0000 O 0 0 5.2135 10.4793 0.0000 C 0 0 6.2498 9.8742 0.0000 F 0 0 6.2558 11.0740 0.0000 F 0 0 5.2198 11.6792 0.0000 F 0 0 9.0618 -3.4760 0.0000 C 0 0 2.6136 10.4928 0.0000 N 0 0 1 20 2 0 2 5 2 0 3 23 1 0 3 26 1 0 22 4 1 1 4 23 1 0 5 6 1 0 5 9 1 0 6 16 2 0 6 10 1 0 7 8 2 0 7 9 1 0 8 14 1 0 9 15 2 0 10 11 2 0 10 32 1 0 11 12 1 0 11 17 1 0 12 13 1 0 13 18 1 0 13 34 1 1 13 35 1 0 14 19 2 0 15 19 1 0 15 20 1 0 16 20 1 0 16 21 1 0 17 21 2 0 17 22 1 0 18 22 1 0 19 28 1 0 21 31 1 0 23 24 1 0 24 25 1 0 25 27 1 0 25 51 1 0 26 27 1 0 26 33 1 0 27 30 1 0 28 29 1 0 35 36 1 0 35 42 2 0 36 37 1 0 37 38 1 0 38 39 1 0 38 43 2 0 39 40 1 0 40 41 1 0 41 50 1 0 44 45 2 0 44 46 1 0 44 51 1 0 46 47 1 0 46 48 1 0 46 49 1 0 M END > 246131 > 56124-62-0 $$$$ SciTegic12181810132D 36 40 0 0 1 0 999 V2000 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 1.2935 -3.7495 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 3.8971 3.7500 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 4.9363 3.1500 0.0000 O 0 0 3.8971 5.2500 0.0000 C 0 0 0.2598 5.8500 0.0000 O 0 0 2.5980 6.0000 0.0000 C 0 0 5.1961 6.0000 0.0000 C 0 0 2.5980 7.5000 0.0000 C 0 0 5.1961 7.5000 0.0000 C 0 0 3.8971 8.2500 0.0000 C 0 0 3.6373 0.9000 0.0000 O 0 0 -1.0393 3.6000 0.0000 O 0 0 -2.3233 -0.1247 0.0000 O 0 0 -1.2626 -2.2300 0.0000 C 0 0 -0.2236 -2.8304 0.0000 O 0 0 -2.3019 -2.8299 0.0000 C 0 0 4.9235 -5.8621 0.0000 N 0 0 2.5806 -7.2040 0.0000 O 0 0 0.2470 -5.8459 0.0000 C 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 1 0 4 8 2 0 4 9 1 0 5 10 1 0 6 11 1 0 7 12 1 0 8 13 1 0 8 14 1 0 9 15 2 0 9 28 1 0 10 14 1 0 10 30 1 0 10 31 1 0 11 16 1 0 11 34 1 0 12 16 1 0 12 36 1 0 13 17 2 0 13 29 1 0 15 18 1 0 15 17 1 0 16 35 1 0 17 19 1 0 18 20 2 0 18 21 1 0 19 22 2 0 19 23 1 0 21 24 2 0 21 23 1 0 23 25 2 0 24 26 1 0 25 27 1 0 26 27 2 0 31 32 2 0 31 33 1 0 M END > 256439 > 57852-57-0 $$$$ SciTegic12181810132D 39 43 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -7.7942 1.5000 0.0000 C 0 0 2 0 0 0 -9.0933 0.7500 0.0000 C 0 0 -9.0933 -0.7500 0.0000 C 0 0 1 0 0 0 -7.7942 -1.5000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 O 0 0 -10.3567 0.0215 0.0000 C 0 0 -10.3574 1.5223 0.0000 C 0 0 -11.3959 -0.5786 0.0000 O 0 0 -5.1834 5.9949 0.0000 C 0 0 -6.4851 5.2494 0.0000 O 0 0 -6.4903 3.7494 0.0000 C 0 0 -5.1938 2.9949 0.0000 C 0 0 -3.8922 3.7404 0.0000 C 0 0 -3.8870 5.2404 0.0000 C 0 0 -7.7912 3.0008 0.0000 O 0 0 -2.5981 2.7000 0.0000 O 0 0 0.0031 3.0008 0.0000 O 0 0 1.0432 3.5994 0.0000 C 0 0 -5.1962 2.7000 0.0000 O 0 0 -5.1961 -2.7000 0.0000 O 0 0 -9.0639 -1.9497 0.0000 O 0 0 -11.3965 2.1226 0.0000 O 0 0 -2.8457 5.8368 0.0000 O 0 0 -5.1793 7.1949 0.0000 C 0 0 -2.8550 3.1368 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 31 1 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 1 0 7 30 2 0 8 9 2 0 8 11 1 0 9 10 1 0 9 14 1 0 10 19 2 0 11 12 2 0 11 33 1 0 12 13 1 0 12 15 1 0 13 14 2 0 13 18 1 0 14 34 1 0 15 16 1 0 15 29 1 6 16 17 1 0 17 18 1 0 17 20 1 0 17 35 1 6 20 21 1 0 20 22 2 0 21 36 1 0 23 24 1 0 23 28 1 0 23 38 1 0 24 25 1 0 25 26 1 0 25 29 1 0 26 27 1 0 27 28 1 0 27 39 1 0 28 37 1 0 31 32 1 0 M END > 256942 > 56390-09-1 $$$$ SciTegic12181810132D 0 0 0 0 0 0 999 V2000 M END > 266046 > 61825-94-3 $$$$ SciTegic12181810132D 32 34 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 O 0 0 -2.5981 2.7000 0.0000 O 0 0 1.3039 -3.7494 0.0000 C 0 0 1.3039 3.7494 0.0000 C 0 0 1.3070 -5.2502 0.0000 C 0 0 2.6109 -7.4996 0.0000 C 0 0 3.9117 -8.2481 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 2.6109 7.4996 0.0000 C 0 0 3.9117 8.2482 0.0000 C 0 0 -5.1961 -2.7000 0.0000 O 0 0 -5.1962 2.7000 0.0000 O 0 0 3.9142 -9.4481 0.0000 O 0 0 3.9141 9.4482 0.0000 O 0 0 0.0031 3.0008 0.0000 N 0 0 0.0031 -3.0008 0.0000 N 0 0 2.6078 -5.9988 0.0000 N 0 0 2.6078 5.9988 0.0000 N 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 3 29 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 10 1 0 6 30 1 0 7 8 1 0 7 16 2 0 8 9 2 0 8 11 1 0 9 10 1 0 9 14 1 0 10 15 2 0 11 12 2 0 11 26 1 0 12 13 1 0 13 14 2 0 14 25 1 0 17 19 1 0 17 30 1 0 18 22 1 0 18 29 1 0 19 31 1 0 20 21 1 0 20 31 1 0 21 27 1 0 22 32 1 0 23 24 1 0 23 32 1 0 24 28 1 0 M END > 279836 > 65271-80-9 $$$$ SciTegic12181810132D 12 11 0 0 1 0 999 V2000 2.6000 0.0000 0.0000 S 0 0 1.3000 0.7500 0.0000 P 0 0 0.2606 0.1503 0.0000 O 0 0 10.3999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 6.5000 0.7500 0.0000 N 0 0 1.3000 1.9500 0.0000 O 0 0 0.2609 1.3502 0.0000 O 0 0 11.4393 0.5997 0.0000 N 0 0 1 2 1 0 1 8 1 0 2 3 2 0 2 10 1 0 2 11 1 0 4 5 1 0 4 12 1 0 5 6 1 0 6 9 1 0 7 8 1 0 7 9 1 0 M END > 296961 > 20537-88-6 $$$$ SciTegic12181810132D 24 26 0 0 1 0 999 V2000 0.0000 -2.7000 0.0000 F 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -7.5587 2.6065 0.0000 C 0 0 -4.8896 2.5353 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -4.5721 0.1291 0.0000 C 0 0 -6.0471 0.4021 0.0000 C 0 0 -6.2433 1.8892 0.0000 C 0 0 -7.5962 4.1069 0.0000 O 0 0 -8.9139 4.8254 0.0000 P 0 0 -8.9439 6.0250 0.0000 O 0 0 2.3383 1.3500 0.0000 N 0 0 -6.9173 -0.4242 0.0000 O 0 0 -4.0485 -0.9506 0.0000 O 0 0 -0.3115 2.9665 0.0000 N 0 0 -1.8032 3.1233 0.0000 C 0 0 -2.4133 1.7530 0.0000 N 0 0 -9.9380 4.1999 0.0000 O 0 0 -9.9677 5.3994 0.0000 O 0 0 1 9 1 0 2 6 2 0 2 9 1 0 3 9 2 0 3 8 1 0 4 13 1 0 4 14 1 0 5 10 1 0 5 13 1 0 6 7 1 0 6 17 1 0 7 8 2 0 7 20 1 0 8 22 1 0 10 11 1 0 10 22 1 0 11 12 1 0 11 19 1 0 12 13 1 0 12 18 1 0 14 15 1 0 15 16 2 0 15 23 1 0 15 24 1 0 20 21 2 0 21 22 1 0 M END > 312887 > 75607-67-9 $$$$ SciTegic12181810132D 14 15 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 3.6065 0.0000 0.0000 N 0 0 2.7248 1.2135 0.0000 C 0 0 3.1905 -2.6376 0.0000 C 0 0 4.3645 -2.8856 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 2.3889 -3.5306 0.0000 N 0 0 -2.3383 1.3500 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 7 2 0 2 3 1 0 2 9 1 0 3 4 1 0 3 12 2 0 4 5 1 0 4 14 1 0 5 6 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 11 2 0 10 13 1 0 M END > 362856 > 85622-93-1 $$$$ SciTegic12181810132D 18 20 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 N 0 0 -4.0238 -1.0365 0.0000 N 0 0 -4.9055 -2.2500 0.0000 C 0 0 -4.0238 -3.4635 0.0000 N 0 0 -1.2990 -4.9500 0.0000 N 0 0 -4.4895 0.3876 0.0000 C 0 0 -5.9579 0.6978 0.0000 C 0 0 -6.3309 1.8383 0.0000 C 0 0 -6.7595 -0.1953 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 6 10 1 0 7 8 2 0 7 11 1 0 8 9 1 0 8 13 1 0 9 10 2 0 9 14 1 0 11 12 1 0 11 15 1 0 12 13 2 0 15 16 1 0 16 17 1 0 16 18 1 0 M END > 369100 > 99011-02-6 $$$$ SciTegic12181810132D 12 11 0 0 1 0 999 V2000 0.2606 0.1503 0.0000 Cl 0 0 1.3000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 N 0 0 5.2000 0.0000 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 3.8969 2.2508 0.0000 N 0 0 2.8568 2.8494 0.0000 O 0 0 5.2000 -1.2000 0.0000 O 0 0 6.5000 0.7500 0.0000 N 0 0 10.1394 0.1503 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 8 1 0 5 10 2 0 5 11 1 0 6 7 1 0 6 11 1 0 7 12 1 0 8 9 2 0 M END > 409962 > 154-93-8 $$$$ SciTegic12181810132D 20 22 0 0 1 0 999 V2000 4.7578 -4.4622 0.0000 C 0 0 3.3718 -5.0359 0.0000 C 0 0 2.3980 -3.8950 0.0000 C 0 0 3.1884 -2.6408 0.0000 C 0 0 4.6405 -2.9668 0.0000 O 0 0 6.0367 -5.2427 0.0000 C 0 0 1.2011 -3.9814 0.0000 F 0 0 3.0914 -6.2026 0.0000 O 0 0 2.7248 -1.2135 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 3.6065 0.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 N 0 0 7.0906 -4.6688 0.0000 O 0 0 1 2 1 0 1 5 1 0 1 6 1 0 2 3 1 0 2 8 1 0 3 4 1 0 3 7 1 0 4 5 1 0 4 9 1 0 6 20 1 0 9 10 1 0 9 13 1 0 10 11 2 0 10 14 1 0 11 12 1 0 11 17 1 0 12 13 2 0 14 15 2 0 15 16 1 0 15 18 1 0 16 17 2 0 17 19 1 0 M END > 606869 > 123318-82-1 $$$$ SciTegic12181810132D 0 0 0 0 0 0 999 V2000 M END > 608210 > 125317-39-7 $$$$ SciTegic12181810132D 31 35 0 0 1 0 999 V2000 3.8280 -1.1399 0.0000 C 0 0 3.8280 -0.3599 0.0000 O 0 0 3.1519 0.0299 0.0000 C 0 0 2.4769 -0.3599 0.0000 C 0 0 2.4769 -1.1399 0.0000 C 0 0 3.1519 -1.5299 0.0000 C 0 0 2 0 0 0 1.1260 -0.3599 0.0000 N 0 0 1.1260 -1.1399 0.0000 C 0 0 1.8010 -1.5299 0.0000 C 0 0 -0.1899 -1.1399 0.0000 C 0 0 -0.1899 -0.3599 0.0000 C 0 0 0.4529 0.0260 0.0000 C 0 0 -0.8650 0.0299 0.0000 C 0 0 -1.5410 -0.3599 0.0000 C 0 0 -1.5410 -1.1399 0.0000 C 0 0 -0.8650 -1.5299 0.0000 N 0 0 -2.2160 0.0299 0.0000 C 0 0 -2.8919 -0.3599 0.0000 C 0 0 -2.8919 -1.1399 0.0000 C 0 0 -2.2160 -1.5299 0.0000 C 0 0 4.5030 -1.5299 0.0000 O 0 0 3.7120 -2.2300 0.0000 O 0 0 2.7020 -2.2200 0.0000 C 0 0 1.9231 -2.1776 0.0000 C 0 0 1.8310 0.8999 0.0000 O 0 0 1.8549 0.0599 0.0000 C 0 0 -2.2160 0.8100 0.0000 C 0 0 -1.5410 1.1999 0.0000 N 0 0 -3.5669 0.0299 0.0000 O 0 0 -1.5410 1.9799 0.0000 C 0 0 -0.8650 0.8100 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 21 2 0 2 3 1 0 3 4 1 0 4 5 2 0 4 26 1 0 5 6 1 0 5 9 1 0 6 22 1 1 6 23 1 0 7 8 1 0 7 12 1 0 7 26 1 0 8 9 2 0 8 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 2 0 15 20 1 0 17 18 2 0 17 27 1 0 18 19 1 0 18 29 1 0 19 20 2 0 23 24 1 0 25 26 2 0 27 28 1 0 28 30 1 0 28 31 1 0 M END > 609699 > 119413-54-6 $$$$ SciTegic12181810132D 18 19 0 0 1 0 999 V2000 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 O 0 0 3.0443 -0.0955 0.0000 F 0 0 5.0960 -0.5221 0.0000 F 0 0 4.8054 -4.6666 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 O 0 0 4.0971 -5.6353 0.0000 O 0 0 6.1467 -1.8742 0.0000 O 0 0 -2.3383 1.3500 0.0000 N 0 0 1 2 1 0 1 5 1 0 1 8 1 0 2 3 1 0 2 17 1 0 3 4 1 0 3 6 1 0 3 7 1 0 4 5 1 0 4 9 1 0 8 16 1 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 2 0 M END > 613327 > 122111-03-9 $$$$ SciTegic12181810132D 43 49 0 0 1 0 999 V2000 -1.5699 0.4599 0.0000 C 0 0 -1.5699 -0.3199 0.0000 C 0 0 -0.8949 -0.7099 0.0000 C 0 0 -0.2189 -0.3199 0.0000 C 0 0 -0.2189 0.4599 0.0000 C 0 0 -0.8949 0.8499 0.0000 N 0 0 0.4560 -0.7099 0.0000 C 0 0 1.1320 -0.3199 0.0000 C 0 0 1.1320 0.4599 0.0000 C 0 0 0.4560 0.8499 0.0000 C 0 0 -2.3119 0.7010 0.0000 C 0 0 -2.7699 0.0700 0.0000 N 0 0 -2.3119 -0.5610 0.0000 C 0 0 -2.6289 1.4139 0.0000 C 0 0 -3.4049 1.4950 0.0000 C 0 0 -3.8629 0.8639 0.0000 C 0 0 -3.5460 0.1520 0.0000 C 0 0 -3.7219 2.2079 0.0000 C 0 0 2 0 0 0 -4.4979 2.2889 0.0000 C 0 0 -4.9559 1.6579 0.0000 O 0 0 -4.6389 0.9460 0.0000 C 0 0 -2.9709 2.4769 0.0000 C 0 0 -4.8150 3.0019 0.0000 O 0 0 -2.3759 1.9719 0.0000 C 0 0 -3.5639 2.9889 0.0000 O 0 0 -4.0050 -0.4799 0.0000 O 0 0 -0.8949 -1.4900 0.0000 C 0 0 -1.5699 -1.8799 0.0000 C 0 0 1.8070 -0.7099 0.0000 O 0 0 1.8070 -1.4900 0.0000 C 0 0 1.1320 -1.8799 0.0000 O 0 0 2.4829 -1.8799 0.0000 N 0 0 2.4829 -2.6599 0.0000 C 0 0 3.1580 -3.0499 0.0000 C 0 0 3.8340 -2.6599 0.0000 C 0 0 3.8340 -1.8799 0.0000 C 0 0 3.1580 -1.4900 0.0000 C 0 0 4.5090 -3.0499 0.0000 N 0 0 4.5090 -3.8299 0.0000 C 0 0 5.1849 -4.2199 0.0000 C 0 0 5.8599 -3.8299 0.0000 C 0 0 5.8599 -3.0499 0.0000 C 0 0 5.1849 -2.6599 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 11 1 0 2 3 1 0 2 13 1 0 3 4 2 0 3 27 1 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 8 9 1 0 8 29 1 0 9 10 2 0 11 12 1 0 11 14 2 0 12 13 1 0 12 17 1 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 16 21 1 0 17 26 2 0 18 19 1 0 18 22 1 0 18 25 1 1 19 20 1 0 19 23 2 0 20 21 1 0 22 24 1 0 27 28 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 32 37 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 38 1 0 36 37 1 0 38 39 1 0 38 43 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 M END > 616348 > 100286-90-6 $$$$ SciTegic12181810132D 59 64 0 0 1 0 999 V2000 -4.7315 2.0349 0.0000 C 0 0 -5.1814 1.2560 0.0000 C 0 0 -4.7315 0.4759 0.0000 C 0 0 -3.8314 0.4759 0.0000 C 0 0 -3.3814 1.2560 0.0000 C 0 0 -3.8314 2.0349 0.0000 C 0 0 -2.4814 1.2560 0.0000 C 0 0 1 0 0 0 -2.0315 0.4759 0.0000 C 0 0 2 0 0 0 -2.4814 2.8149 0.0000 C 0 0 -3.3814 2.8149 0.0000 O 0 0 -2.0315 3.5939 0.0000 O 0 0 -3.8314 3.5939 0.0000 C 0 0 -1.1315 0.4759 0.0000 C 0 0 0.2184 -0.3029 0.0000 C 0 0 1 0 0 0 -0.6815 1.2560 0.0000 O 0 0 2.1784 1.1139 0.0000 C 0 0 2 0 0 0 1.5425 0.4779 0.0000 C 0 0 1.5425 -0.4220 0.0000 C 0 0 2.1784 -1.0590 0.0000 C 0 0 2 0 0 0 3.0785 -1.0590 0.0000 C 0 0 2 0 0 0 3.7154 -0.4220 0.0000 C 0 0 1 0 0 0 3.7154 0.4779 0.0000 C 0 0 2 0 0 0 3.0785 1.1139 0.0000 C 0 0 4.4945 -0.8720 0.0000 C 0 0 1 0 0 0 5.2744 -0.4220 0.0000 C 0 0 1 0 0 0 5.2744 0.4779 0.0000 C 0 0 4.4945 0.9279 0.0000 C 0 0 2 0 0 0 4.9444 -1.6520 0.0000 C 0 0 5.7245 -1.2020 0.0000 O 0 0 3.2114 1.9839 0.0000 O 0 0 3.7154 -1.3220 0.0000 H 0 0 0.7084 -1.0590 0.0000 C 0 0 0.6274 0.4779 0.0000 C 0 0 -3.3814 4.3730 0.0000 C 0 0 -4.2814 4.3730 0.0000 C 0 0 -2.0315 2.0349 0.0000 N 0 0 0.1615 1.2479 0.0000 C 0 0 0.7154 -0.3790 0.0000 C 0 0 2.3854 0.0209 0.0000 C 0 0 3.8554 1.4379 0.0000 C 0 0 4.4945 1.8279 0.0000 O 0 0 2.4554 -2.9090 0.0000 O 0 0 1.6825 -3.3699 0.0000 C 0 0 1.6945 -4.2699 0.0000 O 0 0 0.8965 -2.9310 0.0000 C 0 0 0.1254 -3.3940 0.0000 C 0 0 -0.6615 -2.9579 0.0000 C 0 0 -0.6775 -2.0579 0.0000 C 0 0 0.0945 -1.5949 0.0000 C 0 0 0.8815 -2.0310 0.0000 C 0 0 -0.6815 -0.3029 0.0000 O 0 0 -2.4814 -0.3029 0.0000 O 0 0 1.7854 -1.9279 0.0000 O 0 0 4.0154 -1.9490 0.0000 O 0 0 3.1204 -2.0434 0.0000 C 0 0 2.5911 -1.3155 0.0000 O 0 0 2.7547 -2.8657 0.0000 C 0 0 1.8154 1.8939 0.0000 O 0 0 -4.8994 3.5939 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 36 1 6 8 13 1 0 8 52 1 6 9 10 1 0 9 11 2 0 9 36 1 0 10 12 1 0 12 34 1 0 12 35 1 0 12 59 1 0 13 15 2 0 13 51 1 0 14 32 1 0 14 33 1 0 14 51 1 6 16 17 1 0 16 23 1 0 16 58 1 1 17 18 1 0 17 33 2 0 18 19 1 0 18 38 1 0 18 39 1 0 19 20 1 0 19 32 1 0 19 53 1 1 20 21 1 0 20 42 1 6 21 22 1 0 21 24 1 0 21 31 1 6 22 23 1 0 22 27 1 0 22 40 1 1 23 30 2 0 24 25 1 0 24 28 1 0 24 54 1 6 25 26 1 1 25 29 1 0 26 27 1 0 27 41 1 1 28 29 1 0 33 37 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 2 0 45 50 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 54 55 1 0 55 56 2 0 55 57 1 0 M END > 628503 > 114977-28-5 $$$$ SciTegic12181810132D 73 76 0 0 1 0 999 V2000 -9.7100 0.0100 0.0000 C 0 0 2 0 0 0 -10.1800 -1.4400 0.0000 C 0 0 -9.2500 -2.5000 0.0000 C 0 0 -7.8600 -2.2400 0.0000 C 0 0 2 0 0 0 -7.2300 -0.9300 0.0000 O 0 0 -8.0800 0.4300 0.0000 C 0 0 1 0 0 0 -6.8600 -3.4400 0.0000 C 0 0 -5.3700 -2.8300 0.0000 C 0 0 1 0 0 0 -4.1200 -3.7800 0.0000 C 0 0 -2.6300 -3.1700 0.0000 C 0 0 -1.4100 -4.1500 0.0000 C 0 0 0.1200 -3.6900 0.0000 C 0 0 1.1200 -4.8600 0.0000 C 0 0 2.7800 -4.7900 0.0000 C 0 0 3.3400 -6.2300 0.0000 C 0 0 2 0 0 0 -6.6100 0.8600 0.0000 C 0 0 -6.1000 2.2500 0.0000 C 0 0 -6.8303 3.2022 0.0000 O 0 0 -5.7904 -0.0165 0.0000 O 0 0 -4.5400 2.3900 0.0000 N 0 0 -3.1200 3.1200 0.0000 C 0 0 1 0 0 0 -2.6400 4.4900 0.0000 C 0 0 -3.4600 5.5000 0.0000 C 0 0 -4.8400 5.2900 0.0000 C 0 0 -5.4800 3.8300 0.0000 C 0 0 -1.9000 2.2900 0.0000 C 0 0 -0.7100 3.2100 0.0000 O 0 0 0.6400 2.7300 0.0000 C 0 0 2 0 0 0 1.7949 3.6864 0.0000 C 0 0 1 0 0 0 1.9216 -0.8420 0.0000 O 0 0 2.0600 0.3500 0.0000 C 0 0 0.8000 1.1200 0.0000 C 0 0 5.8000 -0.4000 0.0000 C 0 0 4.3600 -0.3900 0.0000 C 0 0 3.4300 0.8000 0.0000 C 0 0 1 0 0 0 3.2026 3.1658 0.0000 C 0 0 4.3578 4.1239 0.0000 C 0 0 1 0 0 0 5.7655 3.6056 0.0000 C 0 0 6.9182 4.5655 0.0000 C 0 0 2 0 0 0 6.6632 6.0437 0.0000 C 0 0 1 0 0 0 5.2556 6.5620 0.0000 C 0 0 4.1029 5.6021 0.0000 C 0 0 7.8185 7.0017 0.0000 O 0 0 6.2500 -5.8600 0.0000 C 0 0 1 0 0 0 6.5100 -4.2800 0.0000 C 0 0 5.5100 -3.1600 0.0000 C 0 0 1 0 0 0 6.4400 -1.8000 0.0000 C 0 0 2 0 0 0 7.6623 -3.9451 0.0000 O 0 0 9.2262 6.4811 0.0000 C 0 0 9.4280 5.2982 0.0000 O 0 0 10.3814 7.4391 0.0000 C 0 0 11.7891 6.9185 0.0000 C 0 0 10.6416 5.9314 0.0000 C 0 0 4.8700 -6.7500 0.0000 C 0 0 -1.8636 1.0906 0.0000 O 0 0 -8.3982 1.5870 0.0000 O 0 0 12.7128 7.6845 0.0000 O 0 0 7.6356 -1.9025 0.0000 O 0 0 8.3255 4.0440 0.0000 O 0 0 8.5277 2.8611 0.0000 C 0 0 -5.1674 -1.3437 0.0000 O 0 0 -6.1155 -0.6081 0.0000 C 0 0 4.0188 -3.2852 0.0000 O 0 0 3.5077 -4.3709 0.0000 C 0 0 10.1796 8.6220 0.0000 C 0 0 -4.2763 -4.9698 0.0000 C 0 0 -10.5321 0.8841 0.0000 C 0 0 7.2534 -6.5182 0.0000 C 0 0 6.4521 0.6074 0.0000 C 0 0 3.7789 1.9482 0.0000 C 0 0 1.5930 4.8693 0.0000 C 0 0 2.5100 -7.0967 0.0000 C 0 0 11.7675 5.5162 0.0000 O 0 0 1 2 1 0 1 6 1 0 1 67 1 1 2 3 1 0 4 3 1 6 4 5 1 0 4 7 1 0 5 6 1 0 6 16 1 0 6 56 1 1 7 8 1 0 8 9 1 0 8 61 1 6 9 10 2 0 9 66 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 54 1 0 15 72 1 6 16 17 1 0 16 19 2 0 17 18 2 0 17 20 1 0 20 21 1 0 20 25 1 0 21 22 1 1 21 26 1 0 22 23 1 0 23 24 1 0 24 25 1 0 26 27 1 0 26 55 2 0 28 27 1 6 28 29 1 0 28 32 1 0 29 36 1 0 29 71 1 6 30 31 2 0 31 32 1 0 31 35 1 0 33 34 2 0 33 47 1 0 33 69 1 0 34 35 1 0 35 70 1 6 37 36 1 6 37 38 1 0 37 42 1 0 38 39 1 0 39 40 1 0 39 59 1 6 40 41 1 0 40 43 1 1 41 42 1 0 43 49 1 0 44 45 1 0 44 54 1 0 44 68 1 6 45 46 1 0 45 48 2 0 46 47 1 0 46 63 1 6 47 58 1 1 49 50 2 0 49 51 1 0 51 52 1 0 51 53 1 0 51 65 1 0 52 57 1 0 53 73 1 0 59 60 1 0 61 62 1 0 63 64 1 0 M END > 683864 > 162635-04-3 $$$$ SciTegic12181810132D 19 19 0 0 1 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 6.4855 -8.2648 0.0000 C 0 0 6.4833 -9.7656 0.0000 C 0 0 7.7815 -10.5187 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 8.8218 -9.9205 0.0000 O 0 0 8.8174 -12.6217 0.0000 O 0 0 7.7794 -12.0195 0.0000 N 0 0 2.5973 -1.5031 0.0000 N 0 0 1 2 1 0 1 14 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 16 2 0 7 18 1 0 8 9 2 0 8 13 1 0 8 19 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 14 15 2 0 14 19 1 0 17 18 1 0 M END > 701852 > 149647-78-9 $$$$ SciTegic12181810132D 36 39 0 0 1 0 999 V2000 -1.2990 1.7500 0.0000 H 0 0 -1.2990 -1.7500 0.0000 H 0 0 2.3947 -0.2606 0.0000 C 0 0 -0.8097 -2.0868 0.0000 H 0 0 3.8733 -1.4312 0.0000 O 0 0 2.4080 -1.7436 0.0000 C 0 0 1 0 0 0 1.7979 -3.1140 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.3061 -2.9572 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 4.8790 -2.5452 0.0000 P 0 0 6.0526 -2.2949 0.0000 O 0 0 4.5093 -3.6868 0.0000 O 0 5 5.6827 -3.4363 0.0000 O 0 5 -6.4975 3.7477 0.0000 O 0 0 -7.7962 2.9954 0.0000 C 0 0 -9.0975 3.7432 0.0000 N 0 0 -7.7941 1.7954 0.0000 O 0 0 -10.3961 2.9909 0.0000 C 0 0 -9.1032 5.2440 0.0000 C 0 0 -10.4053 5.9903 0.0000 C 0 0 -10.4098 7.1903 0.0000 Cl 0 0 -11.6974 3.7386 0.0000 C 0 0 -12.7358 3.1372 0.0000 Cl 0 0 13 1 1 6 14 2 1 1 8 3 1 1 12 4 1 6 6 5 1 1 5 23 1 0 6 7 1 0 6 8 1 0 7 11 1 0 8 9 1 0 8 12 1 0 9 10 1 0 10 13 1 0 11 12 1 0 12 14 1 0 13 14 1 0 13 15 1 0 14 18 1 0 15 19 2 0 15 16 1 0 16 17 2 0 17 20 1 0 18 21 1 0 19 21 1 0 19 22 1 0 20 22 2 0 20 27 1 0 23 24 2 0 23 25 1 0 23 26 1 0 27 28 1 0 28 29 1 0 28 30 2 0 29 31 1 0 29 32 1 0 31 35 1 0 32 33 1 0 33 34 1 0 35 36 1 0 M CHG 2 25 -1 26 -1 M END > 702294 > 52205-73-9 $$$$ SciTegic12181810132D 25 26 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2149 3.8587 0.0000 O 0 0 -0.7536 5.2860 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 1.2121 3.8625 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -1.4605 6.2557 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1.3039 -3.7494 0.0000 C 0 0 1.3070 -5.2502 0.0000 O 0 0 2.3421 -3.1476 0.0000 O 0 0 2.6078 -5.9988 0.0000 C 0 0 2.6109 -7.4996 0.0000 C 0 0 3.9117 -8.2481 0.0000 C 0 0 3.9148 -9.7490 0.0000 C 0 0 4.9549 -10.3475 0.0000 C 0 0 2.3518 3.4867 0.0000 O 0 0 1.4501 6.2603 0.0000 O 0 0 0.0031 -3.0008 0.0000 N 0 0 1 2 1 0 1 6 2 0 2 3 1 0 2 12 2 0 3 4 1 0 3 11 1 0 4 5 2 0 5 6 1 0 5 14 1 0 6 25 1 0 7 8 1 0 7 11 1 0 8 9 1 0 8 13 1 0 9 10 1 0 9 24 1 0 10 11 1 0 10 23 1 0 15 16 1 0 15 17 2 0 15 25 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 M END > 712807 > 154361-50-9 $$$$ SciTegic12181810132D 25 28 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 2 0 0 0 -5.1961 -1.5000 0.0000 C 0 0 1 0 0 0 -5.1961 -3.0000 0.0000 C 0 0 2 0 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -6.6111 -1.0365 0.0000 C 0 0 -7.4928 -2.2500 0.0000 C 0 0 -6.6111 -3.4636 0.0000 C 0 0 -6.9806 -4.6053 0.0000 O 0 0 -5.3201 -4.1936 0.0000 C 0 0 -1.7320 -2.0000 0.0000 H 0 0 -5.2995 -0.5054 0.0000 H 0 0 -2.5981 2.7000 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -4.7631 -0.2500 0.0000 H 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 -1.9500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 2 0 0 0 1 2 1 0 1 5 2 0 2 3 1 0 2 21 2 0 3 4 2 0 4 6 1 0 4 23 1 0 5 23 1 0 6 7 1 0 6 20 2 0 7 25 1 0 8 12 1 0 8 18 1 6 8 23 1 0 8 25 1 0 9 10 1 0 9 13 1 0 9 19 1 6 9 25 1 0 10 11 1 0 10 15 1 0 10 17 1 1 11 12 1 0 13 14 1 0 14 15 1 0 15 16 2 0 25 22 1 1 23 24 1 1 M END > 713563 > 107868-30-4 $$$$ SciTegic12181810132D 31 34 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 -1.5000 0.0000 N 0 0 3.8971 -0.7500 0.0000 C 0 0 3.8971 0.7500 0.0000 N 0 0 2.5981 1.5000 0.0000 C 0 0 3.9020 3.7494 0.0000 C 0 0 3.9072 5.2494 0.0000 C 0 0 5.2089 5.9949 0.0000 C 0 0 6.5053 5.2405 0.0000 C 0 0 6.5001 3.7405 0.0000 C 0 0 5.1985 2.9950 0.0000 C 0 0 7.5466 5.8369 0.0000 F 0 0 5.2130 7.1949 0.0000 Cl 0 0 -2.5973 1.5031 0.0000 O 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 N 0 0 -5.1895 7.5109 0.0000 C 0 0 -6.4885 8.2609 0.0000 C 0 0 -7.7876 7.5110 0.0000 O 0 0 -7.7876 6.0110 0.0000 C 0 0 -6.4886 5.2609 0.0000 C 0 0 -2.5972 -1.5031 0.0000 O 0 0 -2.5955 -2.7031 0.0000 C 0 0 2.6012 3.0008 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 10 1 0 3 4 2 0 4 5 1 0 4 19 1 0 5 6 2 0 5 29 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 31 1 0 11 12 2 0 11 16 1 0 11 31 1 0 12 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 14 17 1 0 15 16 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 29 30 1 0 M END > 715055 > 184475-35-2 $$$$ SciTegic12181810132D 29 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 N 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.9020 -3.7494 0.0000 C 0 0 -3.9072 -5.2494 0.0000 C 0 0 -5.2089 -5.9949 0.0000 C 0 0 -6.5053 -5.2405 0.0000 C 0 0 -6.5001 -3.7405 0.0000 C 0 0 -5.1985 -2.9950 0.0000 C 0 0 -5.2141 -7.4958 0.0000 C 0 0 -5.2182 -8.6957 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8912 -5.2578 0.0000 O 0 0 4.9292 -5.8600 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 3.8912 5.2578 0.0000 O 0 0 4.9291 5.8600 0.0000 C 0 0 -2.6012 -3.0008 0.0000 N 0 0 1 2 1 0 1 6 2 0 1 19 1 0 2 3 2 0 2 21 1 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 10 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 29 1 0 11 12 2 0 11 16 1 0 11 29 1 0 12 13 1 0 13 14 2 0 13 17 1 0 14 15 1 0 15 16 2 0 17 18 3 0 19 20 1 0 20 23 1 0 21 22 1 0 22 26 1 0 23 24 1 0 24 25 1 0 26 27 1 0 27 28 1 0 M END > 718781 > 183319-69-9 $$$$ SciTegic12181810132D 44 47 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 2 0 0 0 -3.8971 -0.7500 0.0000 C 0 0 2 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 2 0 0 0 -5.1962 -1.5000 0.0000 C 0 0 1 0 0 0 -5.1961 -3.0000 0.0000 C 0 0 2 0 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -6.6111 -1.0365 0.0000 C 0 0 -7.4928 -2.2500 0.0000 C 0 0 -6.6111 -3.4636 0.0000 C 0 0 2 0 0 0 -5.1953 1.5031 0.0000 C 0 0 -5.1932 3.0039 0.0000 C 0 0 -6.4914 3.7570 0.0000 C 0 0 -6.4893 5.2578 0.0000 C 0 0 -7.7875 6.0109 0.0000 C 0 0 -7.7854 7.5117 0.0000 C 0 0 -9.0836 8.2648 0.0000 C 0 0 -9.0814 9.7656 0.0000 C 0 0 -1.7320 -2.0000 0.0000 H 0 0 -4.7631 -0.2500 0.0000 H 0 0 -5.2995 -0.5054 0.0000 H 0 0 -5.3201 -4.1936 0.0000 C 0 0 -6.9806 -4.6053 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 -10.3796 10.5187 0.0000 C 0 0 -10.3775 12.0195 0.0000 S 0 0 -11.6757 12.7726 0.0000 C 0 0 -9.3372 12.6177 0.0000 O 0 0 -11.6736 14.2734 0.0000 C 0 0 -12.9718 15.0265 0.0000 C 0 0 -12.9697 16.5273 0.0000 C 0 0 -14.2679 17.2804 0.0000 C 0 0 -11.9314 15.9257 0.0000 F 0 0 -11.9294 17.1255 0.0000 F 0 0 -14.2662 18.4804 0.0000 F 0 0 -15.3062 17.8820 0.0000 F 0 0 -15.3082 16.6822 0.0000 F 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 31 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 1 0 8 9 1 0 8 18 1 6 9 10 1 0 9 11 1 0 9 27 1 1 10 14 1 0 10 26 1 6 11 12 1 0 11 15 1 0 11 28 1 6 12 13 1 0 12 17 1 0 12 29 1 1 13 14 1 0 15 16 1 0 16 17 1 0 17 30 1 1 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 32 1 0 32 33 1 0 33 34 1 0 33 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 40 1 0 38 41 1 0 38 39 1 0 39 42 1 0 39 43 1 0 39 44 1 0 M END > 719276 > 129453-61-8 $$$$ SciTegic12181810132D 22 23 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 N 0 0 3.8056 3.8680 0.0000 N 0 0 3.3371 5.2929 0.0000 C 0 0 1.8371 5.2877 0.0000 N 0 0 1.3786 3.8595 0.0000 C 0 0 -2.5998 3.0012 0.0000 C 0 0 -1.0394 -3.6005 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 -0.0006 -4.2008 0.0000 C 0 0 1.2993 -3.7521 0.0000 C 0 0 -3.6378 0.9001 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 -3.6383 2.0999 0.0000 C 0 0 2.3381 -4.3527 0.0000 N 0 0 -2.6005 4.2012 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 4 5 1 0 4 19 1 0 5 6 2 0 6 15 1 0 7 8 1 0 8 9 1 0 8 12 1 0 9 10 2 0 10 11 1 0 11 12 2 0 13 19 1 0 13 22 3 0 14 15 1 0 15 17 1 0 15 16 1 0 17 21 3 0 18 19 1 0 19 20 1 0 M END > 719344 > 120511-73-1 $$$$ SciTegic12181810132D 22 24 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -3.8982 -0.7550 0.0000 C 0 0 -5.1971 -1.5054 0.0000 C 0 0 -6.4964 -0.7559 0.0000 C 0 0 -6.4970 0.7441 0.0000 C 0 0 -5.1983 1.4946 0.0000 C 0 0 -3.8989 0.7451 0.0000 C 0 0 -2.5951 -3.0039 0.0000 N 0 0 -3.8056 -3.8680 0.0000 C 0 0 -3.3371 -5.2929 0.0000 N 0 0 -1.8371 -5.2877 0.0000 C 0 0 -1.3786 -3.8595 0.0000 N 0 0 2.5988 1.5004 0.0000 C 0 0 -7.7970 1.4940 0.0000 C 0 0 3.6380 2.1004 0.0000 N 0 0 -8.8365 2.0936 0.0000 N 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 19 1 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 14 1 0 8 9 1 0 8 13 2 0 9 10 2 0 10 11 1 0 11 12 2 0 11 20 1 0 12 13 1 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 17 18 2 0 19 21 3 0 20 22 3 0 M END > 719345 > 112809-51-5 $$$$ SciTegic12181810132D 26 28 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.6193 3.9803 0.0000 C 0 0 -0.1673 3.6256 0.0000 C 0 0 0.8689 4.7101 0.0000 C 0 0 0.4478 6.1498 0.0000 C 0 0 -1.0096 6.5049 0.0000 C 0 0 -2.0458 5.4204 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 N 0 0 -2.5987 1.5004 0.0000 N 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -6.4444 1.8313 0.0000 C 0 0 -6.9314 0.7346 0.0000 F 0 0 -7.1510 2.8013 0.0000 F 0 0 -7.6377 1.7046 0.0000 F 0 0 1.2768 7.0174 0.0000 C 0 0 3.6384 -0.9011 0.0000 O 0 0 2.5988 -1.5004 0.0000 S 0 0 2.5984 -2.7004 0.0000 O 0 0 3.6377 -2.1009 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 24 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 15 1 0 5 6 2 0 7 8 2 0 7 12 1 0 7 16 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 22 1 0 11 12 2 0 13 14 2 0 13 17 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 2 0 18 19 1 0 18 20 1 0 18 21 1 0 23 24 2 0 24 25 2 0 24 26 1 0 M END > 719627 > 169590-42-5 $$$$ SciTegic12181810132D 16 16 0 0 1 0 999 V2000 0.7500 -1.0323 0.0000 N 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 N 0 0 -0.7500 -1.0323 0.0000 C 0 0 -2.6394 0.8543 0.0000 C 0 0 -5.1816 0.3093 0.0000 P 0 0 -6.0722 -0.4950 0.0000 O 0 0 -3.4387 -1.6190 0.0000 P 0 0 -3.7533 -0.1515 0.0000 C 0 0 -2.2970 -1.9885 0.0000 O 0 0 -5.4332 1.4826 0.0000 O 0 0 -6.3235 0.6782 0.0000 O 0 0 -3.1877 -2.7924 0.0000 O 0 0 -4.3293 -2.4232 0.0000 O 0 0 -4.0049 1.0218 0.0000 O 0 0 1 2 1 0 1 5 2 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 1 0 6 10 1 0 7 8 2 0 7 10 1 0 7 12 1 0 7 13 1 0 9 11 2 0 9 10 1 0 9 14 1 0 9 15 1 0 10 16 1 0 M END > 721517 > 118072-93-8 $$$$ SciTegic12181810132D 33 36 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.6012 3.0004 0.0000 N 0 0 -3.9015 3.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 N 0 0 -5.1969 1.4963 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 -3.9034 4.9484 0.0000 C 0 0 -6.4894 -0.7597 0.0000 C 0 0 -7.6985 -1.6256 0.0000 N 0 0 -7.2278 -3.0499 0.0000 C 0 0 -5.7278 -3.0423 0.0000 C 0 0 -5.2715 -1.6133 0.0000 S 0 0 -4.8385 -4.2481 0.0000 C 0 0 -5.3191 -5.3476 0.0000 O 0 0 -2.4562 -5.2893 0.0000 C 0 0 -0.9651 -5.1250 0.0000 C 0 0 -0.0773 -6.3340 0.0000 C 0 0 -0.6804 -7.7074 0.0000 C 0 0 -2.1713 -7.8718 0.0000 C 0 0 -3.0592 -6.6628 0.0000 C 0 0 -4.2520 -6.7944 0.0000 Cl 0 0 -0.4826 -4.0263 0.0000 C 0 0 -6.4939 0.7411 0.0000 N 0 0 -3.3470 -4.0815 0.0000 N 0 0 3.6331 -3.6060 0.0000 O 0 0 1 2 1 0 1 6 1 0 1 13 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 7 1 0 5 6 1 0 7 8 1 0 7 12 2 0 8 9 2 0 9 10 1 0 9 15 1 0 10 11 2 0 11 12 1 0 11 31 1 0 13 14 1 0 14 33 1 0 16 17 2 0 16 20 1 0 16 31 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 21 32 1 0 23 24 2 0 23 28 1 0 23 32 1 0 24 25 1 0 24 30 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > 732517 > 863127-77-9 $$$$ SciTegic12181810132D 68 71 0 0 1 0 999 V2000 -4.8400 5.2900 0.0000 C 0 0 -5.4800 3.8300 0.0000 C 0 0 -4.5400 2.3900 0.0000 N 0 0 -3.1200 3.1200 0.0000 C 0 0 1 0 0 0 -2.6400 4.4900 0.0000 C 0 0 -3.4600 5.5000 0.0000 C 0 0 -1.9000 2.2900 0.0000 C 0 0 -0.7100 3.2100 0.0000 O 0 0 0.6400 2.7300 0.0000 C 0 0 2 0 0 0 1.7949 3.6864 0.0000 C 0 0 1 0 0 0 3.2026 3.1658 0.0000 C 0 0 4.3578 4.1239 0.0000 C 0 0 2 0 0 0 5.7655 3.6056 0.0000 C 0 0 6.9182 4.5655 0.0000 C 0 0 6.6632 6.0437 0.0000 C 0 0 2 0 0 0 5.2556 6.5620 0.0000 C 0 0 1 0 0 0 4.1029 5.6021 0.0000 C 0 0 5.0036 8.0415 0.0000 O 0 0 5.9268 8.8081 0.0000 C 0 0 7.8185 7.0017 0.0000 O 0 0 9.2262 6.4811 0.0000 C 0 0 10.3814 7.4391 0.0000 C 0 0 11.5069 7.0228 0.0000 O 0 0 -1.8636 1.0906 0.0000 O 0 0 0.8000 1.1200 0.0000 C 0 0 2.0600 0.3500 0.0000 C 0 0 3.4300 0.8000 0.0000 C 0 0 1 0 0 0 1.9216 -0.8420 0.0000 O 0 0 4.3600 -0.3900 0.0000 C 0 0 6.4400 -1.8000 0.0000 C 0 0 1 0 0 0 7.6356 -1.9025 0.0000 O 0 0 5.5100 -3.1600 0.0000 C 0 0 2 0 0 0 6.5100 -4.2800 0.0000 C 0 0 7.6623 -3.9451 0.0000 O 0 0 4.0182 -3.2790 0.0000 O 0 0 3.3364 -2.2915 0.0000 C 0 0 -6.1000 2.2500 0.0000 C 0 0 -6.8303 3.2022 0.0000 O 0 0 -6.6100 0.8600 0.0000 C 0 0 -5.7904 -0.0165 0.0000 O 0 0 -8.0800 0.4300 0.0000 C 0 0 1 0 0 0 -9.7100 0.0100 0.0000 C 0 0 1 0 0 0 -10.1800 -1.4400 0.0000 C 0 0 -9.2500 -2.5000 0.0000 C 0 0 -7.2300 -0.9300 0.0000 O 0 0 3.3400 -6.2300 0.0000 C 0 0 2 0 0 0 4.8700 -6.7500 0.0000 C 0 0 6.2500 -5.8600 0.0000 C 0 0 1 0 0 0 2.5100 -7.0967 0.0000 C 0 0 -8.3982 1.5870 0.0000 O 0 0 3.7789 1.9482 0.0000 C 0 0 1.5930 4.8693 0.0000 C 0 0 5.8000 -0.4000 0.0000 C 0 0 6.4521 0.6074 0.0000 C 0 0 -7.8600 -2.2400 0.0000 C 0 0 2 0 0 0 -6.8600 -3.4400 0.0000 C 0 0 -5.3700 -2.8300 0.0000 C 0 0 1 0 0 0 -4.1200 -3.7800 0.0000 C 0 0 -2.6300 -3.1700 0.0000 C 0 0 -1.4100 -4.1500 0.0000 C 0 0 0.1200 -3.6900 0.0000 C 0 0 1.1200 -4.8600 0.0000 C 0 0 2.7800 -4.7900 0.0000 C 0 0 -4.2763 -4.9698 0.0000 C 0 0 -5.1674 -1.3437 0.0000 O 0 0 -6.1155 -0.6081 0.0000 C 0 0 -10.5321 0.8841 0.0000 C 0 0 7.2534 -6.5182 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 3 4 1 0 3 37 1 0 4 5 1 1 4 7 1 0 5 6 1 0 7 8 1 0 7 24 2 0 9 8 1 6 9 10 1 0 9 25 1 0 10 11 1 0 10 52 1 6 12 11 1 1 12 13 1 0 12 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 20 1 6 16 17 1 0 16 18 1 1 18 19 1 0 20 21 1 0 21 22 1 0 22 23 1 0 25 26 1 0 26 27 1 0 26 28 2 0 27 29 1 0 27 51 1 6 29 53 2 0 30 31 1 1 30 32 1 0 30 53 1 0 32 33 1 0 32 35 1 6 33 34 2 0 33 48 1 0 35 36 1 0 37 38 2 0 37 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 41 45 1 0 41 50 1 1 42 43 1 0 42 67 1 1 43 44 1 0 55 44 1 6 55 45 1 0 46 47 1 0 46 49 1 6 46 63 1 0 47 48 1 0 48 68 1 6 53 54 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 65 1 6 58 59 2 0 58 64 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 2 0 65 66 1 0 M END > 733504 > 159351-69-6 $$$$ SciTegic12181810132D 31 34 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 N 0 0 -2.7248 -1.2135 0.0000 C 0 0 -4.8065 0.0000 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 3.6375 0.9049 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 2.5847 6.0040 0.0000 N 0 0 1.2883 5.2495 0.0000 C 0 0 1.2934 3.7495 0.0000 N 0 0 -1.3117 5.2360 0.0000 C 0 0 -2.6160 5.9769 0.0000 C 0 0 -3.9098 5.2179 0.0000 C 0 0 -3.8994 3.7180 0.0000 C 0 0 -2.5952 2.9770 0.0000 C 0 0 -1.3014 3.7360 0.0000 C 0 0 -4.9345 3.1108 0.0000 C 0 0 -5.2238 7.1593 0.0000 O 0 0 -5.2147 5.9593 0.0000 S 0 0 -6.2496 5.3518 0.0000 O 0 0 -6.2583 6.5516 0.0000 N 0 0 -0.0156 5.9927 0.0000 N 0 0 -3.0955 -2.3548 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 11 1 0 3 4 1 0 4 5 1 0 4 7 2 0 5 6 1 0 5 9 2 0 7 8 1 0 8 9 1 0 8 10 1 0 9 31 1 0 11 13 1 0 11 12 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 30 1 0 19 20 2 0 19 24 1 0 19 30 1 0 20 21 1 0 21 22 2 0 21 27 1 0 22 23 1 0 22 25 1 0 23 24 2 0 26 27 2 0 27 28 2 0 27 29 1 0 M END > 737754 > 635702-64-6 $$$$ SciTegic12181810132D 37 41 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 0.0000 3.0008 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3026 5.2488 0.0000 N 0 0 -1.3002 3.7488 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8915 -3.7585 0.0000 C 0 0 -3.8863 -5.2585 0.0000 C 0 0 -2.5847 -6.0040 0.0000 C 0 0 -1.2883 -5.2495 0.0000 C 0 0 -1.2935 -3.7495 0.0000 C 0 0 1.3117 -5.2360 0.0000 C 0 0 1.3054 -4.0360 0.0000 O 0 0 2.6156 -5.9792 0.0000 C 0 0 3.9121 -5.2248 0.0000 C 0 0 5.2137 -5.9702 0.0000 C 0 0 5.2189 -7.4702 0.0000 C 0 0 3.9225 -8.2247 0.0000 C 0 0 2.6209 -7.4793 0.0000 C 0 0 6.5197 -8.2188 0.0000 C 0 0 6.5228 -9.7196 0.0000 N 0 0 7.8219 -10.4697 0.0000 C 0 0 7.8219 -11.9697 0.0000 C 0 0 6.5229 -12.7197 0.0000 N 0 0 5.2238 -11.9697 0.0000 C 0 0 5.2238 -10.4697 0.0000 C 0 0 0.0156 -5.9927 0.0000 N 0 0 -2.5972 -1.5031 0.0000 N 0 0 -4.9328 -3.1621 0.0000 C 0 0 6.5229 -13.9197 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 5 6 2 0 5 35 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 13 14 2 0 13 18 1 0 13 35 1 0 14 15 1 0 14 36 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 34 1 0 19 20 2 0 19 21 1 0 19 34 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 27 28 1 0 28 29 1 0 28 33 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 37 1 0 32 33 1 0 M END > 743414 > 152459-95-5 $$$$ SciTegic12181810132D 40 44 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 N 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 3.9511 0.8815 0.0000 C 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7342 2.9815 0.0000 O 0 0 -3.9020 3.7494 0.0000 C 0 0 -3.9073 5.2494 0.0000 C 0 0 -5.2089 5.9949 0.0000 C 0 0 -6.5002 3.7404 0.0000 C 0 0 -5.1985 2.9949 0.0000 C 0 0 -5.2131 7.1949 0.0000 Cl 0 0 -6.5053 5.2404 0.0000 C 0 0 -7.8092 5.9836 0.0000 O 0 0 -9.1053 5.2269 0.0000 C 0 0 -10.4092 5.9701 0.0000 C 0 0 -11.7057 5.2156 0.0000 C 0 0 -13.0073 5.9611 0.0000 C 0 0 -13.0125 7.4611 0.0000 C 0 0 -11.7161 8.2156 0.0000 C 0 0 -10.4145 7.4702 0.0000 C 0 0 -11.7203 9.4156 0.0000 F 0 0 4.8053 4.6666 0.0000 C 0 0 4.5249 7.2514 0.0000 C 0 0 3.6391 8.4629 0.0000 C 0 0 4.2445 9.8363 0.0000 S 0 0 4.7290 10.9341 0.0000 C 0 0 3.5362 10.8049 0.0000 O 0 0 5.4375 9.9657 0.0000 O 0 0 -2.6012 3.0008 0.0000 N 0 0 3.9195 5.8781 0.0000 N 0 0 2.5987 1.5004 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 40 1 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 10 1 0 7 8 2 0 7 38 1 0 8 9 1 0 9 10 2 0 11 12 1 0 11 40 2 0 12 13 2 0 13 14 1 0 13 31 1 0 14 40 1 0 15 16 2 0 15 19 1 0 15 38 1 0 16 17 1 0 17 20 1 0 17 21 2 0 18 19 2 0 18 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 28 30 1 0 31 39 1 0 32 33 1 0 32 39 1 0 33 34 1 0 34 36 2 0 34 37 2 0 34 35 1 0 M END > 745750 > 231277-92-2 $$$$ SciTegic12181810132D 39 43 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0008 0.0000 N 0 0 -1.2122 -3.8625 0.0000 C 0 0 -0.7464 -5.2884 0.0000 C 0 0 0.7536 -5.2860 0.0000 N 0 0 1.2149 -3.8587 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8969 -0.4545 0.0000 O 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4994 0.7432 0.0000 C 0 0 -7.7985 1.4932 0.0000 C 0 0 -6.4995 3.7432 0.0000 C 0 0 -5.2004 2.9933 0.0000 C 0 0 -9.0945 -0.7608 0.0000 C 0 0 -10.3909 -1.5154 0.0000 N 0 0 -10.3857 -3.0154 0.0000 C 0 0 -9.0840 -3.7608 0.0000 C 0 0 -7.7876 -3.0063 0.0000 C 0 0 -7.7928 -1.5063 0.0000 N 0 0 -6.4853 -3.7522 0.0000 C 0 0 -6.4776 -5.2522 0.0000 C 0 0 -5.1748 -5.9956 0.0000 C 0 0 -3.8796 -5.2390 0.0000 C 0 0 -3.8872 -3.7390 0.0000 N 0 0 -5.1900 -2.9956 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 2.5988 1.5004 0.0000 C 0 0 3.6384 0.9011 0.0000 F 0 0 2.5984 2.7004 0.0000 F 0 0 3.6377 2.1009 0.0000 F 0 0 -9.0967 0.7401 0.0000 N 0 0 -1.4502 -6.2603 0.0000 C 0 0 -7.7985 2.9932 0.0000 C 0 0 -8.8378 3.5932 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 32 1 0 3 4 2 0 4 5 1 0 4 31 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 9 37 1 0 10 11 2 0 12 13 2 0 12 14 1 0 12 31 1 0 14 15 2 0 14 18 1 0 15 16 1 0 16 36 1 0 16 38 2 0 17 18 2 0 17 38 1 0 19 20 2 0 19 24 1 0 19 36 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 25 30 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 32 33 1 0 32 34 1 0 32 35 1 0 38 39 1 0 M END > 747599 > 641571-10-0 $$$$ SciTegic12181810132D 32 34 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 7.7752 -10.5117 0.0000 C 0 0 7.7752 -12.0117 0.0000 C 0 0 6.4762 -12.7618 0.0000 C 0 0 5.1771 -12.0118 0.0000 C 0 0 5.1770 -10.5117 0.0000 C 0 0 6.4761 -9.7618 0.0000 C 0 0 8.8144 -12.6117 0.0000 Cl 0 0 3.8809 -8.2579 0.0000 C 0 0 4.9211 -7.6596 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 -2.6003 -1.4978 0.0000 C 0 0 -2.6024 -2.6978 0.0000 O 0 0 6.4762 -14.2626 0.0000 C 0 0 7.5150 -14.8632 0.0000 F 0 0 5.4367 -14.8623 0.0000 F 0 0 6.4756 -15.4626 0.0000 F 0 0 -4.9395 -1.3434 0.0000 C 0 0 2.5826 -7.5048 0.0000 N 0 0 3.8788 -9.7587 0.0000 N 0 0 -3.8990 -0.7455 0.0000 N 0 0 1 6 1 0 1 2 2 0 1 22 1 0 2 3 1 0 3 4 2 0 3 23 1 0 4 5 1 0 5 6 2 0 7 12 1 0 7 8 2 0 7 30 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 22 1 0 11 12 2 0 13 18 1 0 13 14 2 0 14 19 1 0 14 15 1 0 15 16 2 0 15 25 1 0 16 17 1 0 17 18 2 0 17 31 1 0 20 21 2 0 20 30 1 0 20 31 1 0 23 24 2 0 23 32 1 0 25 26 1 0 25 27 1 0 25 28 1 0 29 32 1 0 M END > 747971 > 284461-73-0 $$$$ SciTegic12181810132D 19 21 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 C 0 0 -3.6065 0.0000 0.0000 N 0 0 -2.7248 -1.2135 0.0000 C 0 0 -3.0955 -2.3548 0.0000 O 0 0 -5.7538 1.3554 0.0000 C 0 0 -7.2496 1.4682 0.0000 C 0 0 -8.0952 0.2293 0.0000 C 0 0 -5.9493 -1.2353 0.0000 C 0 0 -5.1072 0.0000 0.0000 C 0 0 -9.2918 0.3196 0.0000 O 0 0 0.0000 2.7000 0.0000 N 0 0 -5.4289 -2.3166 0.0000 O 0 0 -7.4450 -1.1225 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 17 1 0 4 5 1 0 4 7 1 0 5 6 2 0 5 9 1 0 7 8 1 0 8 9 1 0 8 15 1 0 9 10 2 0 11 12 1 0 11 15 1 0 12 13 1 0 13 16 2 0 13 19 1 0 14 15 1 0 14 18 2 0 14 19 1 0 M END > 747972 > 191732-72-6 $$$$ SciTegic12181810132D 35 37 0 0 1 0 999 V2000 -2.9344 -1.7570 0.0000 C 0 0 2 0 0 0 -2.2415 -2.1570 0.0000 C 0 0 -1.5485 -1.7570 0.0000 C 0 0 -1.5485 -0.3329 0.0000 C 0 0 -2.2415 0.0670 0.0000 C 0 0 2 0 0 0 -0.8565 -2.1570 0.0000 C 0 0 -0.1635 -1.7570 0.0000 C 0 0 1 0 0 0 -0.8565 0.0670 0.0000 C 0 0 1 0 0 0 0.5294 -2.1570 0.0000 C 0 0 1 0 0 0 1.2224 -1.7570 0.0000 C 0 0 2 0 0 0 1.2224 -0.3329 0.0000 C 0 0 0.5294 0.0670 0.0000 C 0 0 1.9835 -2.0040 0.0000 C 0 0 1.9835 -0.0860 0.0000 C 0 0 1 0 0 0 -0.8565 0.8670 0.0000 C 0 0 -1.5485 1.2670 0.0000 C 0 0 -0.1635 1.2670 0.0000 C 0 0 -1.5485 2.0670 0.0000 C 0 0 -0.9015 2.5370 0.0000 N 0 0 -1.1485 3.2980 0.0000 C 0 0 -1.9485 3.2980 0.0000 S 0 0 -2.1965 2.5370 0.0000 C 0 0 -0.6785 3.9449 0.0000 C 0 0 0.5294 0.8670 0.0000 O 0 0 2.2305 -2.7649 0.0000 O 0 0 2.6574 -1.0290 0.0000 C 0 0 3.2235 -1.5949 0.0000 C 0 0 3.3505 -0.6289 0.0000 C 0 0 -3.2065 -0.5569 0.0000 O 0 0 -3.6275 -2.1570 0.0000 C 0 0 -0.1635 -0.3329 0.0000 N 0 0 2.2305 0.6750 0.0000 O 0 0 1.2355 -0.9849 0.0000 C 0 0 -0.1635 -2.5570 0.0000 C 0 0 0.5294 -2.9570 0.0000 O 0 0 1 2 1 0 1 5 1 0 1 29 1 0 1 30 1 6 2 3 1 0 3 6 1 0 5 4 1 1 4 8 1 0 5 29 1 0 6 7 1 0 7 9 1 0 7 34 1 6 8 15 1 1 8 31 1 0 9 10 1 0 9 35 1 1 10 13 1 0 10 33 1 1 11 12 1 0 11 14 1 0 12 24 2 0 12 31 1 0 13 25 2 0 13 26 1 0 14 26 1 0 14 32 1 6 15 16 2 0 15 17 1 0 16 18 1 0 18 19 1 0 18 22 2 0 19 20 2 0 20 21 1 0 20 23 1 0 21 22 1 0 26 27 1 0 26 28 1 0 M END > 747973 > 219989-84-1 $$$$ SciTegic12181810132D 34 38 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 S 0 0 2.3383 -1.3500 0.0000 O 0 0 -3.1905 2.6376 0.0000 C 0 0 -2.3889 3.5306 0.0000 O 0 0 -4.6589 2.9478 0.0000 C 0 0 -5.1272 4.3728 0.0000 C 0 0 -6.5954 4.6799 0.0000 C 0 0 -7.5954 3.5619 0.0000 C 0 0 -7.1272 2.1368 0.0000 C 0 0 -5.6590 1.8298 0.0000 C 0 0 -9.0651 3.8661 0.0000 O 0 0 -10.0641 2.7460 0.0000 C 0 0 -11.5338 3.0502 0.0000 C 0 0 -12.5328 1.9302 0.0000 N 0 0 -14.0021 2.2321 0.0000 C 0 0 -14.9983 1.1106 0.0000 C 0 0 -14.5251 -0.3128 0.0000 C 0 0 -13.0558 -0.6148 0.0000 C 0 0 -12.0597 0.5067 0.0000 C 0 0 -5.1072 0.0000 0.0000 C 0 0 -5.9493 -1.2353 0.0000 C 0 0 -7.4450 -1.1225 0.0000 C 0 0 -8.0952 0.2293 0.0000 C 0 0 -7.2496 1.4682 0.0000 C 0 0 -5.7538 1.3554 0.0000 C 0 0 -9.2918 0.3196 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 10 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 9 1 0 7 8 2 0 7 11 1 0 8 9 1 0 8 28 1 0 11 12 2 0 11 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 27 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 28 29 2 0 28 33 1 0 29 30 1 0 30 31 2 0 31 32 1 0 31 34 1 0 32 33 2 0 M END > 747974 > 84449-90-1 $$$$ SciTegic12181810132D 29 33 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 2 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 2 0 0 0 -5.1962 -1.5000 0.0000 C 0 0 1 0 0 0 -5.1961 -3.0000 0.0000 C 0 0 2 0 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -6.6111 -1.0365 0.0000 C 0 0 -7.4928 -2.2500 0.0000 C 0 0 -6.6111 -3.4636 0.0000 C 0 0 -1.2990 -1.9500 0.0000 C 0 0 -5.3201 -4.1936 0.0000 C 0 0 -1.7320 -2.0000 0.0000 H 0 0 -5.2995 -0.5054 0.0000 H 0 0 -4.7631 -0.2500 0.0000 H 0 0 2.3383 1.3500 0.0000 O 0 0 -7.0732 -4.8914 0.0000 C 0 0 -6.1581 -6.0736 0.0000 C 0 0 -6.7272 -7.4615 0.0000 N 0 0 -8.2136 -7.6626 0.0000 C 0 0 -9.1310 -6.4759 0.0000 C 0 0 -8.5620 -5.0880 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 23 1 1 3 4 1 0 4 5 1 0 4 7 2 0 5 6 1 0 5 10 1 0 5 18 1 1 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 22 1 1 10 14 1 0 10 20 1 6 11 12 1 0 11 15 1 0 11 21 1 6 12 13 1 0 12 17 1 0 12 19 1 1 13 14 1 0 15 16 1 0 16 17 2 0 17 24 1 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 M END > 749226 > 154229-19-3 $$$$ SciTegic12181810132D 29 31 0 0 1 0 999 V2000 5.2521 -4.3116 0.0000 C 0 0 6.7434 -4.1498 0.0000 C 0 0 7.0504 -2.6816 0.0000 C 0 0 7.7519 -5.2579 0.0000 C 0 0 7.3869 -6.4010 0.0000 O 0 0 10.2287 -6.0488 0.0000 C 0 0 11.6952 -5.7298 0.0000 C 0 0 4.6589 -2.9478 0.0000 C 0 0 3.1905 -2.6376 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 4.8065 0.0000 0.0000 O 0 0 8.1450 -2.1899 0.0000 C 0 0 5.7489 -1.9359 0.0000 N 0 0 2.7248 1.2135 0.0000 N 0 0 9.2184 -4.9388 0.0000 N 0 0 4.6494 -5.3492 0.0000 C 0 0 12.7054 -6.8397 0.0000 N 0 0 14.1719 -6.5207 0.0000 C 0 0 14.9797 -7.4081 0.0000 C 0 0 12.2518 -8.2703 0.0000 C 0 0 13.0605 -9.1569 0.0000 C 0 0 1 2 1 0 1 8 2 0 1 24 1 0 2 3 2 0 2 4 1 0 3 20 1 0 3 21 1 0 4 5 2 0 4 23 1 0 6 7 1 0 6 23 1 0 7 25 1 0 8 9 1 0 8 21 1 0 9 10 2 0 10 11 1 0 10 12 1 0 11 13 2 0 11 17 1 0 12 19 2 0 12 22 1 0 13 14 1 0 13 22 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 25 26 1 0 25 28 1 0 26 27 1 0 28 29 1 0 M END > 750690 > 557795-19-4 $$$$ SciTegic12181810132D 34 37 0 0 1 0 999 V2000 6.4920 0.7636 0.0000 C 0 0 6.4972 -0.7364 0.0000 C 0 0 5.2007 -1.4909 0.0000 C 0 0 3.8990 -0.7455 0.0000 C 0 0 3.8939 0.7546 0.0000 C 0 0 5.1903 1.5091 0.0000 C 0 0 7.5291 1.3672 0.0000 F 0 0 7.5385 -1.3328 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -3.8994 -3.7478 0.0000 O 0 0 0.0049 -5.9994 0.0000 C 0 0 0.0080 -7.5002 0.0000 C 0 0 1.0431 -5.3976 0.0000 O 0 0 1.3088 -8.2488 0.0000 C 0 0 1.3119 -9.7496 0.0000 C 0 0 -5.1981 -2.9955 0.0000 C 0 0 1 0 0 0 -6.5516 -3.6118 0.0000 C 0 0 -7.5514 -2.4936 0.0000 C 0 0 -6.7969 -1.1972 0.0000 O 0 0 -5.3308 -1.5142 0.0000 C 0 0 2.6003 -1.4977 0.0000 N 0 0 -1.2959 -5.2508 0.0000 N 0 0 2.6127 -10.4982 0.0000 N 0 0 2.6152 -11.6981 0.0000 C 0 0 3.6509 -9.8963 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 8 1 0 3 4 2 0 4 5 1 0 4 30 1 0 5 6 2 0 9 10 2 0 9 14 1 0 9 30 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 2 0 17 31 1 0 25 19 1 1 20 21 1 0 20 22 2 0 20 31 1 0 21 23 2 0 23 24 1 0 24 32 1 0 25 26 1 0 25 29 1 0 26 27 1 0 27 28 1 0 28 29 1 0 32 33 1 0 32 34 1 0 M END > 750691 > 439081-18-2 $$$$ SciTegic12181810132D 32 36 0 0 0 0 999 V2000 -2.5952 -2.9770 0.0000 C 0 0 -3.8994 -3.7180 0.0000 N 0 0 -3.9097 -5.2180 0.0000 C 0 0 -2.6159 -5.9769 0.0000 C 0 0 -1.3117 -5.2360 0.0000 N 0 0 -1.3014 -3.7360 0.0000 C 0 0 -5.1955 -2.9613 0.0000 C 0 0 -5.1893 -1.7613 0.0000 O 0 0 -6.4993 -3.7046 0.0000 C 0 0 -7.9200 -3.6541 0.0000 C 0 0 -7.1744 -4.9556 0.0000 C 0 0 -0.0156 -5.9927 0.0000 C 0 0 -0.0218 -7.1927 0.0000 O 0 0 1.2883 -5.2495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 2.5806 -7.2040 0.0000 F 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.3383 1.3500 0.0000 O 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 12 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 10 11 1 0 12 13 2 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 21 22 1 0 22 23 1 0 22 26 2 0 23 24 2 0 23 28 1 0 24 25 1 0 24 31 1 0 25 27 2 0 25 32 1 0 26 32 1 0 28 29 2 0 29 30 1 0 30 31 2 0 M END > 753686 > 763113-22-0 $$$$ SciTegic12181810132D 36 37 0 0 1 0 999 V2000 2.7300 -2.3100 0.0000 O 0 0 0.3800 -3.9500 0.0000 C 0 0 -1.3000 -4.2000 0.0000 C 0 0 -1.4707 -5.3878 0.0000 O 0 0 4.2200 -1.1700 0.0000 C 0 0 4.4000 0.5600 0.0000 C 0 0 2 0 0 0 5.2669 -1.7565 0.0000 O 0 0 5.8748 0.8523 0.0000 C 0 0 1.8200 2.1800 0.0000 C 0 0 1.2043 1.1500 0.0000 O 0 0 0.9600 3.7800 0.0000 C 0 0 1.8359 4.9889 0.0000 C 0 0 -3.6400 -2.1100 0.0000 C 0 0 1 0 0 0 -3.0600 -0.8000 0.0000 C 0 0 -5.1408 -2.1508 0.0000 C 0 0 -1.8841 -0.5605 0.0000 O 0 0 -2.7700 -3.5200 0.0000 N 0 0 -5.7140 -3.2050 0.0000 C 0 0 -4.3000 0.3600 0.0000 N 0 0 6.2630 1.9878 0.0000 C 0 0 6.6644 -0.0513 0.0000 C 0 0 1.3503 6.0863 0.0000 C 0 0 -3.5000 2.9300 0.0000 C 0 0 -4.5089 3.5797 0.0000 O 0 0 1.0600 -2.6100 0.0000 C 0 0 1 0 0 0 0.5100 -1.7100 0.0000 C 0 0 1.1200 -0.8600 0.0000 C 0 0 1.1200 0.1700 0.0000 C 0 0 0.1700 0.8900 0.0000 C 0 0 -0.7300 0.2000 0.0000 S 0 0 -2.2400 0.4400 0.0000 S 0 0 -2.2400 1.3600 0.0000 C 0 0 -3.5000 1.7400 0.0000 C 0 0 1 0 0 0 3.3500 2.1800 0.0000 N 0 0 -1.6300 3.7800 0.0000 N 0 0 -5.7676 -1.1275 0.0000 C 0 0 1 5 1 0 25 1 1 1 2 3 1 0 2 25 1 0 3 4 2 0 3 17 1 0 5 6 1 0 5 7 2 0 6 8 1 1 6 34 1 0 8 20 1 0 8 21 1 0 9 10 2 0 9 11 1 0 9 34 1 0 11 12 2 0 11 35 1 0 12 22 1 0 13 14 1 0 13 15 1 6 13 17 1 0 14 16 2 0 14 19 1 0 15 18 1 0 15 36 1 0 33 19 1 1 23 24 2 0 23 33 1 0 23 35 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 M END > 754143 > 128517-07-7 $$$$ SciTegic12181810132D 36 38 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 -3.8906 -3.7494 0.0000 C 0 0 -5.1932 -3.0039 0.0000 C 0 0 -5.1953 -1.5031 0.0000 C 0 0 -6.4914 -5.2571 0.0000 C 0 0 -6.4914 -3.7570 0.0000 C 0 0 -7.7905 -6.0071 0.0000 C 0 0 -9.0895 -5.2571 0.0000 C 0 0 -9.0896 -3.7571 0.0000 C 0 0 -7.7905 -3.0071 0.0000 C 0 0 -10.3908 -6.0049 0.0000 C 0 0 -15.5907 -5.9960 0.0000 C 0 0 -14.2895 -5.2482 0.0000 C 0 0 -12.9908 -6.0004 0.0000 C 0 0 2 0 0 0 -10.3929 -7.2049 0.0000 O 0 0 -11.6895 -5.2527 0.0000 N 0 0 0.0000 -2.7000 0.0000 N 0 0 2.3383 1.3500 0.0000 N 0 0 -12.9853 -4.4705 0.0000 C 0 0 -14.0226 -3.8671 0.0000 O 0 0 -11.9443 -3.8736 0.0000 O 0 0 -16.8894 -5.2438 0.0000 C 0 0 -17.9299 -5.8416 0.0000 O 0 0 -16.8874 -4.0438 0.0000 O 0 0 -12.9925 -7.0004 0.0000 H 0 0 -2.5932 -2.9949 0.0000 C 0 0 -1.5559 -2.3916 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 27 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 6 26 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 13 1 0 12 11 1 0 11 35 1 0 12 13 1 0 12 15 1 0 14 15 2 0 14 16 1 0 15 19 1 0 16 17 2 0 17 18 1 0 17 20 1 0 18 19 2 0 20 24 2 0 20 25 1 0 21 22 1 0 21 31 1 0 22 23 1 0 23 25 1 0 23 28 1 0 23 34 1 6 28 29 1 0 28 30 2 0 31 32 2 0 31 33 1 0 35 36 3 0 M END > 754230 > 146464-95-1 $$$$ SciTegic12181810132D 24 27 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 C 0 0 -3.6065 0.0000 0.0000 N 0 0 -2.7248 -1.2135 0.0000 N 0 0 0.0031 -3.0008 0.0000 C 0 0 1.0432 -3.5993 0.0000 O 0 0 -1.0351 -3.6026 0.0000 N 0 0 -5.1072 0.0000 0.0000 C 0 0 -5.9493 -1.2353 0.0000 C 0 0 -7.4450 -1.1225 0.0000 C 0 0 -8.0952 0.2293 0.0000 C 0 0 -7.2496 1.4682 0.0000 C 0 0 -5.7538 1.3554 0.0000 C 0 0 -9.5917 0.3422 0.0000 C 0 0 2 0 0 0 -10.4394 -0.8954 0.0000 C 0 0 -11.9349 -0.7801 0.0000 C 0 0 -12.5829 0.5727 0.0000 C 0 0 -10.2398 1.6950 0.0000 C 0 0 -11.7353 1.8103 0.0000 N 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 1 0 4 7 2 0 5 6 1 0 5 9 2 0 6 10 1 0 7 8 1 0 8 9 1 0 8 13 1 0 10 11 2 0 10 12 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 19 16 1 6 17 18 2 0 19 20 1 0 19 23 1 0 20 21 1 0 21 22 1 0 22 24 1 0 23 24 1 0 M END > 754355 > 1038915-60-4 $$$$ SciTegic12181810132D 31 33 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.7248 1.2135 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -3.1905 2.6376 0.0000 C 0 0 -4.6589 2.9478 0.0000 C 0 0 -5.1253 4.3743 0.0000 C 0 0 -6.5925 4.6865 0.0000 C 0 0 -7.0558 6.1131 0.0000 C 0 0 -6.0520 7.2277 0.0000 C 0 0 -4.5848 6.9156 0.0000 C 0 0 -4.1215 5.4889 0.0000 C 0 0 -6.5126 8.6561 0.0000 C 0 0 -7.6859 8.9078 0.0000 O 0 0 -5.9672 11.1982 0.0000 C 0 0 1 0 0 0 -4.9612 12.3120 0.0000 C 0 0 -5.4218 13.7403 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -4.4158 14.8541 0.0000 C 0 0 -4.7841 15.9962 0.0000 O 0 0 -7.4353 11.5100 0.0000 C 0 0 -8.2387 10.6186 0.0000 O 0 0 -5.5066 9.7698 0.0000 N 0 0 2.3383 -1.3500 0.0000 N 0 0 -7.8059 12.6513 0.0000 O 0 5 -3.2425 14.6024 0.0000 O 0 5 -2.7248 -1.2135 0.0000 N 0 0 1 2 2 0 1 22 1 0 1 28 1 0 2 3 1 0 3 4 1 0 3 8 2 0 4 5 2 0 4 6 1 0 5 22 1 0 5 31 1 0 6 7 2 0 6 9 1 0 7 31 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 2 0 17 18 2 0 17 27 1 0 19 20 1 6 19 25 1 0 19 27 1 0 20 21 1 0 21 23 1 0 23 24 2 0 23 30 1 0 25 26 2 0 25 29 1 0 M CHG 2 29 -1 30 -1 M END > 755384 > 357166-30-4 $$$$ SciTegic12181810132D 32 34 0 0 1 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 4.1955 0.2934 0.0000 S 0 0 1.8365 -3.7777 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 -3.6380 2.1004 0.0000 N 0 0 -2.5988 -1.5004 0.0000 C 0 0 -3.6384 -0.9011 0.0000 F 0 0 -2.5984 -2.7004 0.0000 F 0 0 -3.6377 -2.1009 0.0000 F 0 0 6.4458 -1.8433 0.0000 C 0 0 7.4106 -2.9854 0.0000 C 0 0 8.8868 -2.7191 0.0000 C 0 0 9.3943 -1.3076 0.0000 C 0 0 8.4256 -0.1623 0.0000 C 0 0 6.9494 -0.4285 0.0000 C 0 0 8.8316 0.9670 0.0000 F 0 0 10.8719 -1.0442 0.0000 C 0 0 11.2798 0.0843 0.0000 O 0 0 11.8394 -2.1915 0.0000 N 0 0 13.0208 -1.9809 0.0000 C 0 0 3.4797 -4.2546 0.0000 C 0 0 5.3960 -3.4052 0.0000 C 0 0 1 2 1 0 1 5 1 0 1 6 2 0 2 3 1 0 2 8 1 0 3 4 1 0 3 7 2 0 4 5 1 0 4 31 1 0 4 32 1 0 5 20 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 14 1 0 12 13 2 0 12 16 1 0 14 15 3 0 16 17 1 0 16 18 1 0 16 19 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 27 1 0 24 25 2 0 24 26 1 0 27 28 2 0 27 29 1 0 29 30 1 0 M END > 755605 > 915087-33-1 $$$$ SciTegic12181810132D 30 33 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 O 0 0 2.5973 -1.5031 0.0000 O 0 0 -2.6012 3.0008 0.0000 O 0 0 -3.9020 3.7494 0.0000 C 0 0 -3.9073 5.2494 0.0000 C 0 0 -5.2089 5.9949 0.0000 C 0 0 -6.5053 5.2404 0.0000 C 0 0 -6.5002 3.7404 0.0000 C 0 0 -5.1985 2.9949 0.0000 C 0 0 -7.5373 3.1368 0.0000 Cl 0 0 -7.8092 7.4898 0.0000 C 0 0 -6.7710 8.0916 0.0000 O 0 0 -9.1131 9.7392 0.0000 C 0 0 -9.8630 10.9469 0.0000 C 0 0 -8.3630 10.9468 0.0000 C 0 0 -7.8062 5.9890 0.0000 N 0 0 -9.1100 8.2384 0.0000 N 0 0 2.5956 -2.7031 0.0000 C 0 0 3.6375 0.9049 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 13 1 0 2 3 1 0 2 11 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 7 14 1 0 8 9 1 0 9 10 2 0 11 12 2 0 11 30 1 0 13 29 1 0 14 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 27 1 0 19 20 2 0 19 21 1 0 22 23 2 0 22 27 1 0 22 28 1 0 24 25 1 0 24 26 1 0 24 28 1 0 25 26 1 0 M END > 755980 > 417716-92-8 $$$$ SciTegic12181810132D 21 23 0 0 1 0 999 V2000 4.6405 -2.9668 0.0000 O 0 0 4.7578 -4.4622 0.0000 C 0 0 1 0 0 0 3.3718 -5.0359 0.0000 C 0 0 2 0 0 0 2.3980 -3.8950 0.0000 C 0 0 1 0 0 0 3.1884 -2.6408 0.0000 C 0 0 2 0 0 0 6.0367 -5.2427 0.0000 C 0 0 2.7248 -1.2135 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 3.6065 0.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -2.3383 -1.3500 0.0000 N 0 0 7.0906 -4.6689 0.0000 O 0 0 3.0914 -6.2026 0.0000 O 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.0432 3.5993 0.0000 C 0 0 1.2011 -3.9814 0.0000 O 0 0 1 2 1 0 1 5 1 0 2 3 1 0 2 6 1 6 3 4 1 0 3 18 1 1 4 5 1 0 4 21 1 6 5 7 1 6 6 17 1 0 7 8 1 0 7 11 1 0 8 9 2 0 8 12 1 0 9 10 1 0 9 15 1 0 10 11 2 0 12 13 2 0 13 14 1 0 13 16 1 0 14 15 2 0 15 19 1 0 19 20 1 0 M END > 755985 > 121032-29-9 $$$$ SciTegic12181810132D 27 29 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.5964 -3.0004 0.0000 C 0 0 -3.8943 -3.7525 0.0000 C 0 0 -5.1945 -3.0046 0.0000 C 0 0 -5.1969 -1.5046 0.0000 C 0 0 -3.8990 -0.7525 0.0000 C 0 0 -3.9010 0.4475 0.0000 Cl 0 0 -5.1946 -6.0040 0.0000 C 0 0 -3.8950 -5.2533 0.0000 N 0 0 -6.2338 -5.4038 0.0000 O 0 0 -5.1953 -7.5048 0.0000 C 0 0 -3.8951 -8.2529 0.0000 C 0 0 -3.8928 -9.7529 0.0000 C 0 0 -5.1906 -10.5049 0.0000 C 0 0 -6.4908 -9.7569 0.0000 C 0 0 -6.4932 -8.2569 0.0000 C 0 0 -7.5334 -7.6586 0.0000 Cl 0 0 -6.2268 -12.6070 0.0000 C 0 0 -4.1485 -12.6047 0.0000 O 0 0 -5.1883 -12.0057 0.0000 S 0 0 -5.1870 -13.2057 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 9 15 1 0 10 11 1 0 11 12 2 0 12 13 1 0 14 15 1 0 14 16 2 0 14 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 26 1 0 21 22 2 0 22 23 1 0 24 26 1 0 25 26 2 0 26 27 2 0 M END > 755986 > 879085-55-9 $$$$ SciTegic12181810132D 24 27 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 3.1198 -0.8265 0.0000 C 0 0 4.2194 0.1938 0.0000 C 0 0 3.8856 1.6562 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 1.6423 -2.7880 0.0000 C 0 0 0.0000 2.9286 0.0000 O 0 0 4.7653 2.4724 0.0000 F 0 0 3.0756 -2.3457 0.0000 N 0 0 1.1672 -4.2115 0.0000 C 0 0 2.0775 -5.3979 0.0000 C 0 0 1.5026 -6.7834 0.0000 C 0 0 0.0154 -6.9783 0.0000 C 0 0 -0.8971 -5.7877 0.0000 C 0 0 -0.3223 -4.4022 0.0000 C 0 0 -0.5627 -8.3634 0.0000 C 0 0 -2.5132 -9.6637 0.0000 C 0 0 -2.0510 -8.5563 0.0000 N 0 0 -1.3515 1.0777 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 10 1 0 2 3 1 0 2 9 1 0 3 12 2 0 3 24 1 0 4 5 1 0 4 24 1 0 5 10 1 0 6 7 2 0 6 14 1 0 7 8 1 0 8 9 2 0 8 13 1 0 10 11 2 0 11 14 1 0 11 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 21 1 0 19 20 2 0 21 23 1 0 22 23 1 0 M END > 756644 > 459868-92-9 $$$$ SciTegic12181810132D 30 33 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 2 0 0 0 -2.3421 -3.1476 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6060 -6.0003 0.0000 C 0 0 -2.6060 -7.5003 0.0000 C 0 0 -1.3070 -8.2503 0.0000 C 0 0 -0.0080 -7.5003 0.0000 C 0 0 -0.0079 -6.0003 0.0000 C 0 0 1.0313 -5.4004 0.0000 Cl 0 0 -3.6453 -5.4003 0.0000 Cl 0 0 2.3383 -1.3500 0.0000 N 0 0 1.0312 -8.1004 0.0000 F 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 N 0 0 -4.9546 1.9903 0.0000 N 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.8193 4.6606 0.0000 C 0 0 -4.0353 5.9336 0.0000 C 0 0 -4.7489 7.2530 0.0000 C 0 0 -7.0341 6.0170 0.0000 C 0 0 -6.3205 4.6976 0.0000 C 0 0 -6.2483 7.2947 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 18 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 20 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 10 1 0 8 9 1 1 10 11 2 0 10 15 1 0 11 12 1 0 11 17 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 20 21 2 0 20 24 1 0 21 22 1 0 22 23 1 0 22 25 1 0 23 24 2 0 25 26 1 0 25 29 1 0 26 27 1 0 27 30 1 0 28 29 1 0 28 30 1 0 M END > 756645 > 877399-52-5 $$$$ SciTegic12181810132D 28 29 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.5972 -1.5031 0.0000 C 0 0 -3.6375 -0.9049 0.0000 O 0 0 -3.8934 -3.7570 0.0000 C 0 0 2 0 0 0 -5.1929 -3.0062 0.0000 C 0 0 -3.8912 -5.2578 0.0000 C 0 0 -6.2321 -3.6062 0.0000 O 0 0 -6.4930 -0.7546 0.0000 C 0 0 2 0 0 0 -7.7912 -1.5077 0.0000 B 0 0 -6.4935 0.7462 0.0000 C 0 0 -7.7930 1.4970 0.0000 C 0 0 -5.1894 -6.0109 0.0000 C 0 0 -5.1894 -7.5110 0.0000 C 0 0 -6.4883 -8.2610 0.0000 C 0 0 -7.7874 -7.5111 0.0000 C 0 0 -7.7875 -6.0111 0.0000 C 0 0 -6.4886 -5.2610 0.0000 C 0 0 -2.5951 -3.0039 0.0000 N 0 0 -5.1935 -1.5054 0.0000 N 0 0 -7.7935 2.6970 0.0000 C 0 0 -8.8323 0.8970 0.0000 C 0 0 -7.7894 -2.7077 0.0000 O 0 0 -8.8315 -0.9096 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 7 23 1 0 9 10 1 0 9 11 1 1 9 23 1 0 10 12 2 0 10 24 1 0 11 17 1 0 13 14 1 0 13 15 1 6 13 24 1 0 14 27 1 0 14 28 1 0 15 16 1 0 16 25 1 0 16 26 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 M END > 756655 > 179324-69-7 $$$$ SciTegic12181810132D 40 43 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 5.1894 6.0109 0.0000 C 0 0 5.1872 7.5118 0.0000 N 0 0 -5.1969 1.5004 0.0000 C 0 0 -3.9020 3.7494 0.0000 C 0 0 -3.9073 5.2494 0.0000 C 0 0 -5.2089 5.9949 0.0000 C 0 0 -6.5053 5.2404 0.0000 C 0 0 -6.5002 3.7404 0.0000 C 0 0 -5.1985 2.9949 0.0000 C 0 0 -7.5373 3.1368 0.0000 Cl 0 0 -7.8062 5.9890 0.0000 O 0 0 -7.8092 7.4898 0.0000 C 0 0 -9.1100 8.2384 0.0000 C 0 0 -9.1153 9.7384 0.0000 N 0 0 -10.4169 10.4839 0.0000 C 0 0 -11.7133 9.7295 0.0000 C 0 0 -11.7082 8.2295 0.0000 C 0 0 -10.4066 7.4840 0.0000 C 0 0 6.2252 8.1139 0.0000 C 0 0 4.1469 8.1099 0.0000 C 0 0 -6.2361 2.1004 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 3.6331 -3.6060 0.0000 C 0 0 -2.6012 3.0008 0.0000 N 0 0 2.5972 1.5031 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 11 1 0 2 3 1 0 2 40 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 7 39 1 0 8 9 1 0 8 18 1 0 9 10 2 0 11 37 1 0 12 13 2 0 12 14 1 0 12 40 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 34 1 0 17 35 1 0 18 36 3 0 19 20 2 0 19 24 1 0 19 39 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 26 1 0 23 24 2 0 23 25 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 33 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 37 38 1 0 M END > 757439 > 698387-09-6 $$$$ SciTegic12181810132D 28 31 0 0 1 0 999 V2000 2.5847 -6.0040 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 5.1954 -3.0153 0.0000 C 0 0 5.2017 -1.8153 0.0000 O 0 0 6.4915 -3.7721 0.0000 N 0 0 7.5340 -3.1778 0.0000 C 0 0 2.5973 -1.5031 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.8032 3.1233 0.0000 N 0 0 -2.4133 1.7530 0.0000 C 0 0 -0.3115 2.9665 0.0000 N 0 0 -3.8794 1.4442 0.0000 C 0 0 -4.8823 2.5608 0.0000 C 0 0 -6.3509 2.2515 0.0000 C 0 0 -7.3549 3.3660 0.0000 C 0 0 -8.8221 3.0539 0.0000 C 0 0 -9.2853 1.6272 0.0000 C 0 0 -8.2815 0.5127 0.0000 C 0 0 -6.8143 0.8248 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 11 1 0 5 6 2 0 7 8 2 0 7 9 1 0 9 10 1 0 11 12 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 14 20 1 0 15 16 1 0 15 19 1 0 16 17 2 0 18 19 2 0 18 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 M END > 757441 > 319460-85-0 $$$$ SciTegic12181810132D 37 41 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 N 0 0 -2.5981 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 -2.5981 2.7000 0.0000 C 0 0 -4.9364 1.3500 0.0000 O 0 0 -4.9363 -1.3500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -3.9020 -3.7494 0.0000 C 0 0 -5.1985 -2.9950 0.0000 C 0 0 -6.5001 -3.7405 0.0000 C 0 0 -6.5053 -5.2405 0.0000 C 0 0 -5.2089 -5.9949 0.0000 C 0 0 -3.9072 -5.2494 0.0000 C 0 0 -2.8701 -5.8530 0.0000 F 0 0 -7.5466 -5.8369 0.0000 I 0 0 -3.9026 5.2401 0.0000 C 0 0 -4.9440 5.8363 0.0000 O 0 0 -3.8986 4.0401 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 4.0197 -1.4569 0.0000 C 0 0 3.2676 -2.7548 0.0000 C 0 0 -2.6051 5.9945 0.0000 N 0 0 -2.6012 -3.0008 0.0000 N 0 0 1 2 1 0 1 6 1 0 1 33 1 0 2 3 1 0 2 11 2 0 3 4 1 0 3 16 1 0 4 5 1 0 4 7 2 0 5 6 1 0 5 10 2 0 6 12 2 0 7 8 1 0 7 13 1 0 8 9 1 0 8 14 2 0 9 10 1 0 9 15 1 0 10 37 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 36 1 0 22 23 2 0 22 27 1 0 22 37 1 0 23 24 1 0 24 25 2 0 25 26 1 0 25 29 1 0 26 27 2 0 27 28 1 0 30 31 2 0 30 32 1 0 30 36 1 0 33 34 1 0 33 35 1 0 34 35 1 0 M END > 758246 > 871700-17-3 $$$$ SciTegic12181810132D 33 37 0 0 0 0 999 V2000 2.5847 -6.0040 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2935 -3.7495 0.0000 N 0 0 1.2883 -5.2495 0.0000 C 0 0 2.5795 -7.5047 0.0000 N 0 0 3.8748 -8.2614 0.0000 C 0 0 3.8672 -9.7614 0.0000 C 0 0 1.2692 -9.7483 0.0000 C 0 0 1.2767 -8.2483 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 0.0000 3.0000 0.0000 N 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 C 0 0 1.2997 3.7504 0.0000 C 0 0 1.4399 5.2310 0.0000 C 0 0 2.9076 5.5406 0.0000 C 0 0 3.6556 4.2404 0.0000 C 0 0 2.6501 3.1272 0.0000 C 0 0 -1.2991 4.9500 0.0000 O 0 0 -3.8994 3.7477 0.0000 C 0 0 -4.9378 3.1462 0.0000 O 0 0 -3.9015 4.9477 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 2.5644 -10.5048 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 32 1 0 5 6 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 33 1 0 10 11 1 0 10 33 1 0 12 13 2 0 12 17 1 0 12 32 1 0 13 14 1 0 14 15 2 0 14 18 1 0 15 16 1 0 15 21 1 0 16 17 2 0 18 19 1 0 18 23 1 0 19 20 1 0 19 28 2 0 20 21 2 0 20 29 1 0 21 22 1 0 23 24 1 0 23 27 1 0 24 25 1 0 25 26 1 0 26 27 1 0 29 30 2 0 29 31 1 0 M END > 758247 > 571190-30-2 $$$$ SciTegic12181810132D 52 55 0 0 1 0 999 V2000 7.7951 -3.0220 0.0000 C 0 0 6.4925 -3.7675 0.0000 C 0 0 1 0 0 0 7.7992 -1.8220 0.0000 O 0 0 3.8925 -3.7584 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2 0 0 0 3.8883 -4.9584 0.0000 O 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0048 -2.9949 0.0000 C 0 0 -1.3074 -3.7403 0.0000 C 0 0 2 0 0 0 -0.0007 -1.7949 0.0000 O 0 0 -1.3157 -5.2412 0.0000 C 0 0 -2.6192 -5.9852 0.0000 C 0 0 -3.9074 -3.7313 0.0000 C 0 0 -5.2048 -2.9768 0.0000 C 0 0 2 0 0 0 -3.9116 -4.9313 0.0000 O 0 0 -5.2026 -1.4759 0.0000 C 0 0 -6.5008 -0.7229 0.0000 C 0 0 -6.4987 0.7780 0.0000 C 0 0 -7.7951 1.5325 0.0000 C 0 0 -7.7899 3.0325 0.0000 C 0 0 -6.4883 3.7780 0.0000 C 0 0 -5.1919 3.0236 0.0000 C 0 0 -5.1971 1.5236 0.0000 C 0 0 -7.8047 -2.9677 0.0000 C 0 0 -9.1073 -3.7132 0.0000 C 0 0 -7.8006 -1.7677 0.0000 O 0 0 -10.4047 -2.9587 0.0000 N 0 0 -11.7077 -3.7019 0.0000 C 0 0 -13.0028 -2.9451 0.0000 C 0 0 -12.9950 -1.4451 0.0000 O 0 0 -11.6921 -0.7019 0.0000 C 0 0 -10.3970 -1.4586 0.0000 C 0 0 -6.5074 -3.7223 0.0000 N 0 0 -2.6048 -2.9858 0.0000 N 0 0 1.2925 -3.7494 0.0000 N 0 0 5.1951 -3.0130 0.0000 N 0 0 -2.6258 -7.1852 0.0000 C 0 0 6.4903 -5.2683 0.0000 C 0 0 7.7885 -6.0214 0.0000 C 0 0 10.1337 -3.1802 0.0000 C 0 0 7.7868 -7.2214 0.0000 C 0 0 9.0924 -3.7765 0.0000 C 0 0 2 0 0 0 8.3386 -4.9399 0.0000 O 0 0 9.8385 -4.9449 0.0000 C 0 0 8.8288 -5.4232 0.0000 C 0 0 -3.6552 -5.3798 0.0000 C 0 0 1 2 1 0 1 3 2 0 1 48 1 0 2 42 1 6 2 44 1 0 4 5 1 0 4 6 2 0 4 42 1 0 5 7 1 1 5 41 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 14 15 1 0 14 16 2 0 14 41 1 0 15 17 1 6 15 40 1 0 17 18 1 0 18 43 1 0 18 52 1 0 19 20 1 0 19 21 2 0 19 40 1 0 20 22 1 1 20 39 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 30 31 1 0 30 32 2 0 30 39 1 0 31 33 1 0 33 34 1 0 33 38 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 44 45 1 0 45 47 1 0 45 51 1 0 48 46 1 6 48 49 1 0 48 50 1 0 49 50 1 0 M END > 758252 > 868540-17-4 $$$$ SciTegic12181810132D 40 44 0 0 1 0 999 V2000 3.8856 1.6562 0.0000 C 0 0 4.2194 0.1938 0.0000 C 0 0 3.1198 -0.8265 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 5.1724 2.4253 0.0000 O 0 0 6.3021 1.4384 0.0000 C 0 0 5.7125 0.0591 0.0000 O 0 0 0.7500 -1.5574 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 N 0 0 -1.3515 1.0777 0.0000 C 0 0 1 0 0 0 0.0000 1.7286 0.0000 C 0 0 1 0 0 0 -3.1897 -0.5103 0.0000 C 0 0 -3.7803 0.8685 0.0000 C 0 0 -2.6515 1.8563 0.0000 C 0 0 -2.3851 2.1558 0.0000 C 0 0 -1.6743 3.4767 0.0000 C 0 0 -0.1984 3.2088 0.0000 C 0 0 1 0 0 0 0.8094 2.3158 0.0000 H 0 0 0.8883 4.2403 0.0000 O 0 0 2.3276 3.8150 0.0000 C 0 0 3.4163 4.8481 0.0000 C 0 0 2 0 0 0 2.6082 2.6482 0.0000 O 0 0 3.7767 3.3613 0.0000 C 0 0 4.8556 4.4229 0.0000 C 0 0 5.2164 2.9373 0.0000 C 0 0 5.9442 5.4560 0.0000 C 0 0 8.4721 6.0639 0.0000 C 0 0 7.3835 5.0307 0.0000 C 0 0 -2.3272 4.8252 0.0000 O 0 0 9.6229 5.7239 0.0000 O 0 0 3.1357 6.0149 0.0000 O 0 0 8.1915 7.2306 0.0000 C 0 0 9.3421 6.8904 0.0000 C 0 0 -3.5240 4.9131 0.0000 C 0 0 5.5701 1.4788 0.0000 O 0 0 6.7213 1.1399 0.0000 C 0 0 6.0853 3.7651 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 9 1 0 3 4 2 0 4 5 1 0 4 10 1 0 5 6 2 0 5 14 1 0 7 8 1 0 8 9 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 15 1 0 13 14 1 0 13 17 1 6 13 18 1 0 14 20 1 0 14 21 1 6 15 16 1 0 16 17 1 0 18 19 2 0 19 20 1 0 19 32 1 0 20 22 1 1 22 23 1 0 23 24 1 0 23 25 2 0 24 26 1 0 24 27 1 0 24 34 1 6 26 28 1 0 27 29 1 0 28 38 1 0 28 40 2 0 29 31 1 0 30 31 1 0 30 33 1 0 30 35 1 0 30 36 1 0 32 37 1 0 38 39 1 0 M END > 758253 > 26833-87-4 $$$$ SciTegic12181810132D 34 35 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 -2.6003 -1.4978 0.0000 C 0 0 -2.6024 -2.6978 0.0000 O 0 0 -5.2003 -1.4932 0.0000 C 0 0 -6.4990 -0.7410 0.0000 C 0 0 -6.4969 0.4590 0.0000 O 0 0 -9.0990 -0.7365 0.0000 C 0 0 1 0 0 0 -9.0933 0.7644 0.0000 C 0 0 -7.7912 1.5107 0.0000 C 0 0 -7.7866 2.7107 0.0000 C 0 0 -6.7540 0.9071 0.0000 C 0 0 -10.4003 -1.4842 0.0000 B 0 0 -11.6994 -0.7342 0.0000 O 0 0 -12.9984 -1.4842 0.0000 C 0 0 -12.9984 -2.9842 0.0000 C 0 0 -11.6994 -3.7342 0.0000 C 0 0 -10.4004 -2.9843 0.0000 O 0 0 -11.6994 -4.9342 0.0000 O 0 0 -12.9619 -0.0042 0.0000 C 0 0 -14.2623 -2.2558 0.0000 C 0 0 -15.3020 -1.6565 0.0000 O 0 0 -11.6625 0.7467 0.0000 C 0 0 -11.6622 1.9467 0.0000 O 0 0 -3.8990 -0.7455 0.0000 N 0 0 -7.8003 -1.4887 0.0000 N 0 0 -14.2618 -3.4558 0.0000 O 0 0 -10.6232 0.1468 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 8 1 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 9 10 2 0 9 31 1 0 11 12 1 0 11 31 1 0 12 13 2 0 12 32 1 0 14 15 1 6 14 19 1 0 14 32 1 0 15 16 1 0 16 17 1 0 16 18 1 0 19 20 1 0 19 24 1 0 20 21 1 0 21 22 1 0 21 26 1 0 21 27 1 0 22 23 1 0 23 24 1 0 23 25 2 0 26 29 1 0 27 28 2 0 27 33 1 0 29 30 2 0 29 34 1 0 M END > 758254 > 1201902-80-8 $$$$ SciTegic12181810132D 39 43 0 0 1 0 999 V2000 5.5816 5.8056 0.0000 C 0 0 6.0448 7.2323 0.0000 C 0 0 5.0409 8.3468 0.0000 C 0 0 3.5737 8.0347 0.0000 C 0 0 3.1105 6.6080 0.0000 C 0 0 4.1144 5.4935 0.0000 C 0 0 2.5670 9.1477 0.0000 C 0 0 2.9356 10.2897 0.0000 O 0 0 0.0927 9.9463 0.0000 C 0 0 -1.3745 9.6342 0.0000 C 0 0 -2.3785 10.7487 0.0000 C 0 0 -1.9153 12.1754 0.0000 C 0 0 -0.4481 12.4876 0.0000 C 0 0 0.5558 11.3731 0.0000 C 0 0 -2.9175 13.2926 0.0000 C 0 0 -2.4520 14.7194 0.0000 N 0 0 -3.4520 15.8374 0.0000 C 0 0 -2.9839 17.2625 0.0000 C 0 0 -1.5157 17.5696 0.0000 N 0 0 -0.5156 16.4517 0.0000 C 0 0 -0.9837 15.0266 0.0000 C 0 0 -1.1412 18.7097 0.0000 C 0 0 3.6510 4.0660 0.0000 C 0 0 1.0995 8.8333 0.0000 N 0 0 -3.8464 10.4363 0.0000 C 0 0 -4.2177 9.2952 0.0000 F 0 0 -4.6493 11.3282 0.0000 F 0 0 -5.0203 10.1871 0.0000 F 0 0 3.1875 2.6385 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 -1.2135 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 6.3847 4.9140 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 39 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 6 23 1 0 7 8 2 0 7 24 1 0 9 10 2 0 9 14 1 0 9 24 1 0 10 11 1 0 11 12 2 0 11 25 1 0 12 13 1 0 12 15 1 0 13 14 2 0 15 16 1 0 16 17 1 0 16 21 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 22 1 0 20 21 1 0 23 29 3 0 25 26 1 0 25 27 1 0 25 28 1 0 29 30 1 0 30 31 2 0 30 34 1 0 31 32 1 0 32 33 2 0 33 34 1 0 33 35 1 0 34 38 1 0 35 36 2 0 36 37 1 0 37 38 2 0 M END > 758487 > 943319-70-8 $$$$ SciTegic12181810132D 22 23 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.5548 -3.6021 0.0000 O 0 0 -2.5951 -3.0039 0.0000 S 0 0 -1.5568 -2.4023 0.0000 O 0 0 -3.8933 -3.7570 0.0000 C 0 0 -3.8902 -5.2570 0.0000 C 0 0 -5.1877 -6.0097 0.0000 C 0 0 -6.4883 -5.2624 0.0000 C 0 0 -6.4914 -3.7624 0.0000 C 0 0 -5.1939 -3.0097 0.0000 C 0 0 -5.1877 -7.5105 0.0000 C 0 0 -6.4870 -8.2618 0.0000 C 0 0 -6.4870 -9.7626 0.0000 C 0 0 -5.4476 -10.3623 0.0000 O 0 0 -7.7863 -11.7138 0.0000 O 0 0 -7.7863 -10.5138 0.0000 N 0 0 -2.5972 -1.5031 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 22 1 0 7 8 2 0 8 9 2 0 8 10 1 0 8 22 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 16 1 0 13 14 1 0 14 15 2 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 20 21 1 0 M END > 758774 > 414864-00-9 $$$$ SciTegic12181810132D 31 35 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 N 0 0 -2.5981 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 F 0 0 -2.5981 -2.7000 0.0000 O 0 0 -5.1953 1.5031 0.0000 C 0 0 2 0 0 0 -5.1968 -1.5004 0.0000 C 0 0 -5.1993 -3.0005 0.0000 C 0 0 -6.4995 -3.7484 0.0000 C 0 0 -7.7973 -2.9963 0.0000 C 0 0 -7.7950 -1.4963 0.0000 C 0 0 -6.4947 -0.7484 0.0000 C 0 0 -6.4979 0.7576 0.0000 C 0 0 -7.5353 1.3609 0.0000 C 0 0 -6.4914 3.7570 0.0000 C 0 0 -6.4915 5.2570 0.0000 C 0 0 -7.7905 6.0070 0.0000 C 0 0 -9.0896 5.2570 0.0000 N 0 0 -9.0896 3.7570 0.0000 C 0 0 -7.7906 3.0070 0.0000 N 0 0 -5.3772 6.2599 0.0000 N 0 0 -5.9872 7.6303 0.0000 C 0 0 -5.1932 3.0039 0.0000 N 0 0 -7.4790 7.4735 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 6 11 1 0 7 8 2 0 8 9 1 0 8 13 1 0 9 10 1 0 9 14 1 0 10 12 2 0 13 20 1 6 13 30 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 20 21 1 0 22 23 2 0 22 27 1 0 22 30 1 0 23 24 1 0 23 28 1 0 24 25 2 0 24 31 1 0 25 26 1 0 26 27 2 0 28 29 2 0 29 31 1 0 M END > 759224 > 870281-82-6 $$$$ SciTegic12181810132D 30 33 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 N 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 -3.9020 3.7494 0.0000 C 0 0 -3.9073 5.2494 0.0000 C 0 0 -5.2089 5.9949 0.0000 C 0 0 -6.5053 5.2404 0.0000 C 0 0 -6.5002 3.7404 0.0000 C 0 0 -5.1985 2.9949 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 N 0 0 6.4915 -3.7571 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 -2.8702 5.8530 0.0000 F 0 0 -7.5466 5.8368 0.0000 Br 0 0 2.5972 1.5031 0.0000 O 0 0 2.5955 2.7031 0.0000 C 0 0 7.5307 -5.8571 0.0000 C 0 0 -2.6012 3.0008 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 11 1 0 2 3 1 0 2 27 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 7 30 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 19 1 0 13 14 2 0 13 18 1 0 13 30 1 0 14 15 1 0 14 25 1 0 15 16 2 0 16 17 1 0 16 26 1 0 17 18 2 0 19 20 1 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 29 1 0 23 24 1 0 27 28 1 0 M END > 760766 > 443913-73-3 $$$$ SciTegic12181810132D 37 41 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 -2.6012 3.0008 0.0000 O 0 0 -3.9020 3.7494 0.0000 C 0 0 -3.9073 5.2494 0.0000 C 0 0 -5.2089 5.9949 0.0000 C 0 0 -6.5053 5.2404 0.0000 C 0 0 -6.5002 3.7404 0.0000 C 0 0 -5.1985 2.9949 0.0000 C 0 0 -9.1053 5.2269 0.0000 C 0 0 -9.0991 4.0269 0.0000 O 0 0 -11.7054 5.2127 0.0000 C 0 0 -11.6987 4.0128 0.0000 O 0 0 -10.4092 5.9701 0.0000 C 0 0 -11.1654 7.1319 0.0000 C 0 0 -9.6654 7.1399 0.0000 C 0 0 -14.3053 5.1984 0.0000 C 0 0 -15.6098 5.9389 0.0000 C 0 0 -16.9034 5.1795 0.0000 C 0 0 -16.8925 3.6796 0.0000 C 0 0 -15.5881 2.9390 0.0000 C 0 0 -14.2945 3.6984 0.0000 C 0 0 -17.9274 3.0721 0.0000 F 0 0 -7.8092 5.9836 0.0000 N 0 0 -13.0095 5.9556 0.0000 N 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5955 2.7031 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 34 1 0 2 3 1 0 2 36 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 32 1 0 16 17 2 0 18 19 2 0 18 22 1 0 18 32 1 0 20 21 2 0 20 22 1 0 20 33 1 0 22 23 1 0 22 24 1 0 23 24 1 0 25 26 2 0 25 30 1 0 25 33 1 0 26 27 1 0 27 28 2 0 28 29 1 0 28 31 1 0 29 30 2 0 34 35 1 0 36 37 1 0 M END > 761068 > 849217-68-1 $$$$ SciTegic12181810132D 26 28 0 0 0 0 999 V2000 8.5274 -6.4231 0.0000 C 0 0 7.0602 -6.1110 0.0000 C 0 0 6.0564 -7.2256 0.0000 C 0 0 6.5197 -8.6523 0.0000 C 0 0 7.9869 -8.9644 0.0000 C 0 0 8.9907 -7.8498 0.0000 C 0 0 8.4534 -10.3909 0.0000 C 0 0 9.9218 -10.7010 0.0000 C 0 0 10.3883 -12.1275 0.0000 C 0 0 9.5867 -13.0206 0.0000 O 0 0 4.6589 -2.9478 0.0000 C 0 0 6.5938 -4.6845 0.0000 C 0 0 3.1905 -2.6376 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 4.8065 0.0000 0.0000 C 0 0 12.2297 -13.5782 0.0000 O 0 0 11.8567 -12.4377 0.0000 N 0 0 5.1253 -4.3743 0.0000 N 0 0 2.7248 1.2135 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 12 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 24 1 0 11 13 1 0 11 25 1 0 12 25 1 0 13 14 1 0 14 15 1 0 14 17 2 0 15 16 2 0 15 18 1 0 16 21 1 0 16 26 1 0 17 22 1 0 17 26 1 0 18 19 2 0 19 20 1 0 20 21 2 0 23 24 1 0 M END > 761190 > 404950-80-7 $$$$ SciTegic12181810132D 35 38 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 2.5987 1.5004 0.0000 C 0 0 3.8991 0.7525 0.0000 N 0 0 5.1969 1.5046 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 6.4870 5.2606 0.0000 C 0 0 5.4458 5.8571 0.0000 O 0 0 7.7840 6.0157 0.0000 C 0 0 7.7817 7.5157 0.0000 C 0 0 9.0795 8.2678 0.0000 C 0 0 10.3797 7.5199 0.0000 C 0 0 10.3822 6.0199 0.0000 C 0 0 9.0843 5.2678 0.0000 C 0 0 9.0771 9.7686 0.0000 C 0 0 7.7780 10.5187 0.0000 C 0 0 7.7780 12.0187 0.0000 C 0 0 9.0770 12.7687 0.0000 C 0 0 10.3760 12.0187 0.0000 C 0 0 10.3761 10.5187 0.0000 C 0 0 9.0800 14.2695 0.0000 O 0 0 0.0000 -2.7000 0.0000 C 0 0 -2.3383 1.3500 0.0000 C 0 0 10.3808 15.0181 0.0000 C 0 0 10.3833 16.2181 0.0000 F 0 0 11.4190 14.4164 0.0000 F 0 0 11.4212 15.6162 0.0000 F 0 0 6.7415 8.1141 0.0000 C 0 0 6.4915 3.7597 0.0000 N 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 1 0 4 5 1 0 4 29 1 1 5 6 1 0 6 28 1 1 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 35 1 0 11 12 2 0 13 14 2 0 13 15 1 0 13 35 1 0 15 16 2 0 15 20 1 0 16 17 1 0 16 34 1 0 17 18 2 0 17 21 1 0 18 19 1 0 19 20 2 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 27 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 M END > 761385 > 956697-53-3 $$$$ SciTegic12181810132D 36 38 0 0 1 0 999 V2000 2.6351 2.1015 0.0000 C 0 0 0.0000 3.3705 0.0000 C 0 0 2.6351 -2.1015 0.0000 C 0 0 3.2860 -0.7500 0.0000 C 0 0 -3.2860 -0.7500 0.0000 N 0 0 -2.6351 -2.1015 0.0000 C 0 0 0.0000 -3.3705 0.0000 C 0 0 -3.2860 0.7500 0.0000 C 0 0 -2.6352 2.1014 0.0000 C 0 0 -1.4624 -3.0367 0.0000 C 0 0 1.4624 3.0367 0.0000 C 0 0 -9.6488 5.5876 0.0000 C 0 0 -10.6988 8.3174 0.0000 C 0 0 -5.4598 5.2450 0.0000 C 0 0 -6.8598 4.7065 0.0000 C 0 0 -8.3758 4.7625 0.0000 N 0 0 -5.0303 10.4978 0.0000 C 0 0 -3.9803 7.7680 0.0000 C 0 0 -7.8193 11.3788 0.0000 C 0 0 -9.2193 10.8403 0.0000 C 0 0 -4.1938 9.2527 0.0000 C 0 0 -10.4853 6.8326 0.0000 C 0 0 -5.7771 0.0187 0.0000 C 0 0 -7.2407 -0.3101 0.0000 C 0 0 -8.2572 0.7929 0.0000 C 0 0 -7.8102 2.2248 0.0000 C 0 0 -6.3467 2.5536 0.0000 C 0 0 -5.3302 1.4506 0.0000 C 0 0 -8.8251 3.3305 0.0000 C 0 0 -4.7578 -1.0829 0.0000 C 0 0 1.4624 -3.0367 0.0000 N 0 0 3.2860 0.7500 0.0000 N 0 0 -4.4321 6.3377 0.0000 N 0 0 -10.2470 9.7477 0.0000 N 0 0 -6.3243 11.2566 0.0000 N 0 0 -1.4624 3.0367 0.0000 N 0 0 1 11 1 0 1 32 1 0 2 11 1 0 2 36 1 0 3 4 1 0 3 31 1 0 4 32 1 0 5 6 1 0 5 8 1 0 5 30 1 0 6 10 1 0 7 10 1 0 7 31 1 0 8 9 1 0 9 36 1 0 12 16 1 0 12 22 1 0 13 22 1 0 13 34 1 0 14 15 1 0 14 33 1 0 15 16 1 0 16 29 1 0 17 21 1 0 17 35 1 0 18 21 1 0 18 33 1 0 19 20 1 0 19 35 1 0 20 34 1 0 23 24 2 0 23 28 1 0 23 30 1 0 24 25 1 0 25 26 2 0 26 27 1 0 26 29 1 0 27 28 2 0 M END > 761388 > 110078-46-1 $$$$ SciTegic12181810132D 33 36 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 6.2328 -3.6062 0.0000 Cl 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.1904 -2.6376 0.0000 C 0 0 -2.3889 -3.5306 0.0000 O 0 0 -4.6588 -2.9478 0.0000 C 0 0 -5.1271 -4.3729 0.0000 C 0 0 -6.5954 -4.6799 0.0000 C 0 0 -7.5954 -3.5619 0.0000 C 0 0 -7.1272 -2.1369 0.0000 C 0 0 -5.6590 -1.8298 0.0000 C 0 0 -5.2845 -0.6898 0.0000 F 0 0 -4.3271 -5.2673 0.0000 F 0 0 -8.5362 -6.4100 0.0000 S 0 0 -9.0076 -7.8348 0.0000 C 0 0 -10.4771 -8.1400 0.0000 C 0 0 -10.8540 -9.2792 0.0000 C 0 0 -9.3347 -5.5142 0.0000 O 0 0 -8.1599 -5.2705 0.0000 O 0 0 -7.0668 -6.1048 0.0000 N 0 0 1 2 2 0 1 4 1 0 1 9 1 0 2 3 1 0 3 8 2 0 4 7 2 0 5 6 2 0 5 16 1 0 6 7 1 0 6 17 1 0 7 8 1 0 8 16 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 15 1 0 13 14 2 0 17 18 2 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 26 1 0 21 22 2 0 21 33 1 0 22 23 1 0 23 24 2 0 24 25 1 0 27 28 1 0 27 31 2 0 27 32 2 0 27 33 1 0 28 29 1 0 29 30 1 0 M END > 761431 > 1029872-54-5 $$$$ SciTegic12181810132D 61 66 0 0 1 0 999 V2000 4.2014 1.6524 0.0000 C 0 0 1 0 0 0 4.2014 0.8524 0.0000 C 0 0 1 0 0 0 4.8944 0.4524 0.0000 C 0 0 1 0 0 0 5.5865 0.8524 0.0000 C 0 0 2 0 0 0 4.8944 2.0525 0.0000 C 0 0 1 0 0 0 3.6324 2.2214 0.0000 C 0 0 2.8284 2.2214 0.0000 C 0 0 2 0 0 0 3.6324 0.3075 0.0000 C 0 0 2 0 0 0 2.0724 -0.2855 0.0000 C 0 0 2.2595 0.8484 0.0000 C 0 0 1.3304 0.1114 0.0000 C 0 0 2 0 0 0 0.6374 -0.2885 0.0000 O 0 0 -0.0554 0.1114 0.0000 C 0 0 -0.7475 -0.2885 0.0000 C 0 0 1 0 0 0 -0.0554 0.9114 0.0000 O 0 0 -1.4404 0.1114 0.0000 C 0 0 2 0 0 0 -1.4404 0.9114 0.0000 C 0 0 -0.7475 1.3114 0.0000 C 0 0 -0.7475 2.1114 0.0000 C 0 0 -1.4404 2.5114 0.0000 C 0 0 -2.1335 2.1114 0.0000 C 0 0 -2.1335 1.3114 0.0000 C 0 0 -2.8265 0.1114 0.0000 C 0 0 -3.5195 -0.2885 0.0000 O 0 0 -2.8265 0.9114 0.0000 O 0 0 -4.2115 0.1114 0.0000 C 0 0 6.4514 0.6764 0.0000 O 0 0 5.7715 0.1964 0.0000 C 0 0 4.8944 -0.3474 0.0000 O 0 0 4.2014 0.0524 0.0000 H 0 0 3.8394 2.9944 0.0000 O 0 0 3.4394 -1.1735 0.0000 C 0 0 2.6394 -1.1735 0.0000 O 0 0 3.8394 -1.8714 0.0000 C 0 0 3.4394 -2.5714 0.0000 C 0 0 3.8394 -3.2714 0.0000 C 0 0 4.6394 -3.2714 0.0000 C 0 0 5.0394 -2.5714 0.0000 C 0 0 4.6394 -1.8714 0.0000 C 0 0 3.8394 -0.4735 0.0000 O 0 0 -4.2115 0.9114 0.0000 C 0 0 -4.2115 -0.6885 0.0000 C 0 0 2.8255 1.4144 0.0000 C 0 0 3.0594 0.8484 0.0000 C 0 0 4.8944 2.8524 0.0000 O 0 0 4.2016 3.2524 0.0000 C 0 0 4.2014 2.4524 0.0000 C 0 0 2.4915 2.9144 0.0000 O 0 0 1.6935 2.9712 0.0000 C 0 0 -0.7475 -1.0885 0.0000 O 0 0 -2.1335 -0.2885 0.0000 N 0 0 5.5865 1.6524 0.0000 C 0 0 1.3234 0.9144 0.0000 C 0 0 2.8284 0.2804 0.0000 C 0 0 2 0 0 0 2.2595 1.6524 0.0000 C 0 0 0.7574 1.4794 0.0000 C 0 0 5.5875 -0.7475 0.0000 C 0 0 6.2802 -0.3474 0.0000 O 0 0 5.5875 -1.5475 0.0000 C 0 0 2.8284 -0.5195 0.0000 O 0 0 -5.0364 -0.3675 0.0000 C 0 0 1 47 1 1 1 5 1 0 1 2 1 0 1 6 1 0 2 30 1 6 2 3 1 0 2 8 1 0 3 4 1 0 28 3 1 0 3 29 1 6 4 27 1 1 4 52 1 0 5 45 1 1 5 52 1 0 6 7 1 0 6 31 2 0 7 48 1 1 7 55 1 0 8 40 1 6 8 54 1 0 9 54 1 0 9 11 1 0 10 43 1 0 10 44 1 0 10 54 1 0 10 55 1 0 11 12 1 6 11 53 1 0 12 13 1 0 13 14 1 0 13 15 2 0 14 16 1 0 14 50 1 6 16 17 1 0 16 51 1 1 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 23 24 1 0 23 25 2 0 23 51 1 0 24 26 1 0 26 41 1 0 26 42 1 0 26 61 1 0 27 28 1 0 29 57 1 0 32 33 2 0 32 34 1 0 32 40 1 0 34 35 2 0 34 39 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 45 46 1 0 48 49 1 0 53 55 2 0 53 56 1 0 54 60 1 1 57 58 2 0 57 59 1 0 M END > 761432 > 183133-96-2 $$$$ SciTegic12181810132D 33 37 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 N 0 0 -2.7248 -1.2135 0.0000 C 0 0 -3.1884 -2.6409 0.0000 C 0 0 -2.2737 -3.8235 0.0000 C 0 0 -2.8432 -5.2111 0.0000 C 0 0 -4.3298 -5.4118 0.0000 C 0 0 -5.2468 -4.2247 0.0000 C 0 0 -4.6773 -2.8370 0.0000 C 0 0 -4.9024 -6.7990 0.0000 O 0 0 -6.3901 -6.9977 0.0000 C 0 0 -6.9645 -8.3833 0.0000 C 0 0 -8.4517 -8.5788 0.0000 C 0 0 -9.3646 -7.3886 0.0000 C 0 0 -8.7903 -6.0029 0.0000 C 0 0 -7.3031 -5.8074 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 -3.1884 2.6409 0.0000 C 0 0 -4.6235 3.0601 0.0000 C 0 0 -4.9782 4.5176 0.0000 C 0 0 -3.8933 5.5535 0.0000 C 0 0 -2.4538 5.1320 0.0000 N 0 0 -2.0991 3.6745 0.0000 C 0 0 -1.3662 6.1662 0.0000 C 0 0 -1.6479 7.3327 0.0000 O 0 0 0.0735 5.7424 0.0000 C 0 0 0.9431 6.5693 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 9 1 0 6 23 1 0 7 8 1 0 7 24 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 16 1 0 14 15 2 0 16 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 24 25 1 0 24 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 2 0 30 32 1 0 32 33 2 0 M END > 761910 > 936563-96-1 $$$$ SciTegic12181810132D 33 35 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 0 3.6331 3.6061 0.0000 C 0 0 -2.6003 1.4977 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -7.5385 1.3328 0.0000 F 0 0 -7.7802 -3.0220 0.0000 C 0 0 -6.7379 -3.6166 0.0000 O 0 0 -9.0477 -8.2804 0.0000 C 0 0 -7.7539 -7.5214 0.0000 C 0 0 -9.0394 -9.4804 0.0000 Cl 0 0 -7.7876 -1.5212 0.0000 N 0 0 -6.4490 -8.2628 0.0000 C 0 0 -6.4399 -9.4628 0.0000 F 0 0 -5.4141 -7.6553 0.0000 F 0 0 -5.4053 -8.8551 0.0000 F 0 0 -9.0758 -3.7796 0.0000 N 0 0 -9.0685 -5.2804 0.0000 C 0 0 -10.3623 -6.0394 0.0000 C 0 0 -10.3519 -7.5394 0.0000 C 0 0 -7.7643 -6.0214 0.0000 C 0 0 2.5951 3.0039 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 4 5 1 0 4 10 1 0 5 6 2 0 7 8 2 0 7 33 1 0 9 33 1 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 13 17 1 0 14 15 1 0 14 23 1 0 15 16 2 0 18 19 2 0 18 23 1 0 18 28 1 0 20 22 1 0 20 21 1 0 20 31 2 0 21 24 1 0 21 32 2 0 24 25 1 0 24 26 1 0 24 27 1 0 28 29 1 0 29 30 2 0 29 32 1 0 30 31 1 0 M END > 763932 > 755037-03-7 $$$$ SciTegic12181810132D 36 41 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 5.0972 0.1561 0.0000 C 0 0 5.7073 1.5264 0.0000 C 0 0 4.8256 2.7399 0.0000 C 0 0 3.3339 2.5831 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 7.1999 1.6833 0.0000 C 0 0 -5.1953 1.5031 0.0000 C 0 0 -5.1936 2.7031 0.0000 C 0 0 -5.1968 -1.5004 0.0000 N 0 0 -5.1993 -3.0005 0.0000 C 0 0 -6.4995 -3.7484 0.0000 C 0 0 -7.7973 -2.9963 0.0000 C 0 0 -7.7950 -1.4963 0.0000 C 0 0 -6.4947 -0.7484 0.0000 C 0 0 -9.0982 -3.7447 0.0000 N 0 0 -9.1031 -5.2447 0.0000 C 0 0 -10.4045 -5.9906 0.0000 C 0 0 -11.7011 -5.2365 0.0000 O 0 0 -11.6964 -3.7365 0.0000 C 0 0 -10.3950 -2.9906 0.0000 C 0 0 1.0530 -2.0754 0.0000 C 0 0 -1.0531 -2.0753 0.0000 C 0 0 8.3933 1.8087 0.0000 N 0 0 2.7248 -1.2135 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 36 1 0 2 3 1 0 2 8 1 0 3 4 1 0 3 17 2 0 4 5 2 0 4 9 1 0 5 6 1 0 5 12 1 0 6 34 1 0 6 33 1 0 7 8 2 0 7 13 1 0 7 36 1 0 8 16 1 0 9 10 2 0 10 11 1 0 10 19 1 0 11 12 2 0 11 21 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 18 35 3 0 19 20 1 0 21 22 1 0 21 26 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 27 1 0 25 26 1 0 27 28 1 0 27 32 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 M END > 764040 > 1256580-46-7 $$$$ SciTegic12181810132D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.4133 1.7530 0.0000 N 0 0 1.8032 3.1233 0.0000 C 0 0 0.3114 2.9665 0.0000 N 0 0 0.0031 -3.0008 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 -2.5951 -3.0039 0.0000 C 0 0 -1.2935 -3.7495 0.0000 C 0 0 -1.2883 -5.2495 0.0000 C 0 0 -2.5847 -6.0040 0.0000 C 0 0 -3.8863 -5.2585 0.0000 C 0 0 -3.8915 -3.7585 0.0000 C 0 0 -4.9328 -3.1621 0.0000 F 0 0 -2.5806 -7.2040 0.0000 Br 0 0 -1.0351 -3.6026 0.0000 O 0 0 1.3070 -5.2502 0.0000 O 0 0 2.6078 -5.9988 0.0000 C 0 0 2.6109 -7.4996 0.0000 C 0 0 -2.5972 -1.5031 0.0000 N 0 0 1.3039 -3.7494 0.0000 N 0 0 3.5871 1.5034 0.0000 C 0 0 3.6510 -8.0981 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 7 1 0 3 4 1 0 3 9 1 0 4 5 2 0 4 11 1 0 5 6 1 0 5 24 1 0 6 10 1 0 7 8 1 0 7 26 1 0 8 9 2 0 10 20 2 0 10 25 1 0 12 13 2 0 12 17 1 0 12 24 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 19 1 0 16 17 2 0 17 18 1 0 21 22 1 0 21 25 1 0 22 23 1 0 23 27 1 0 M END > 764042 > 606143-89-9 $$$$ SciTegic12181810132D 35 38 0 0 1 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 2.5984 -2.7004 0.0000 O 0 0 3.6377 -2.1009 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 F 0 0 2.3383 1.3500 0.0000 F 0 0 11.3140 2.4016 0.0000 C 0 0 10.6097 3.3732 0.0000 C 0 0 12.5076 2.5261 0.0000 C 0 0 11.8031 3.4974 0.0000 C 0 0 5.1988 -1.5012 0.0000 C 0 0 5.1958 -3.0013 0.0000 C 0 0 6.4933 -3.7539 0.0000 C 0 0 7.7939 -3.0066 0.0000 C 0 0 7.7969 -1.5066 0.0000 C 0 0 6.4994 -0.7539 0.0000 C 0 0 9.0981 -0.7588 0.0000 C 0 0 9.2367 0.7220 0.0000 N 0 0 10.7040 1.0332 0.0000 C 0 0 11.4534 -0.2662 0.0000 S 0 0 10.4493 -1.3805 0.0000 C 0 0 10.7519 -2.8504 0.0000 C 0 0 9.7164 -3.9284 0.0000 N 0 0 10.1346 -5.3689 0.0000 C 0 0 11.5913 -5.7270 0.0000 N 0 0 12.6297 -4.6446 0.0000 C 0 0 12.2115 -3.2040 0.0000 C 0 0 9.3039 -6.2349 0.0000 N 0 0 6.5019 0.4461 0.0000 F 0 0 3.8990 -0.7508 0.0000 N 0 0 1 2 2 0 1 3 2 0 1 4 1 0 1 35 1 0 4 5 2 0 4 9 1 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 12 13 1 0 12 14 1 0 12 15 1 0 12 24 1 0 16 17 2 0 16 21 1 0 16 35 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 21 34 1 0 22 23 1 0 22 26 2 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 32 1 0 28 29 1 0 29 30 2 0 29 33 1 0 30 31 1 0 31 32 2 0 M END > 764134 > 1195768-06-9 $$$$ SciTegic12181810132D 36 39 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 5.1894 6.0109 0.0000 N 0 0 5.1894 7.5110 0.0000 C 0 0 6.4884 8.2610 0.0000 C 0 0 7.7875 7.5110 0.0000 N 0 0 7.7875 6.0110 0.0000 C 0 0 6.4885 5.2610 0.0000 C 0 0 -3.9020 -3.7494 0.0000 C 0 0 -5.1985 -2.9950 0.0000 C 0 0 -6.5001 -3.7405 0.0000 C 0 0 -6.5053 -5.2405 0.0000 C 0 0 -5.2089 -5.9949 0.0000 C 0 0 -3.9072 -5.2494 0.0000 C 0 0 -7.5466 -5.8369 0.0000 Cl 0 0 -2.8701 -5.8530 0.0000 Cl 0 0 -7.7957 -2.9829 0.0000 O 0 0 -7.7899 -1.7829 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 -5.1969 -1.5004 0.0000 C 0 0 -6.2361 -2.1004 0.0000 N 0 0 8.8267 8.1111 0.0000 C 0 0 -2.6012 -3.0008 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 31 1 0 2 3 1 0 2 11 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 33 1 0 10 36 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 35 1 0 19 20 1 0 21 22 2 0 21 26 1 0 21 36 1 0 22 23 1 0 23 24 2 0 23 29 1 0 24 25 1 0 24 27 1 0 25 26 2 0 26 28 1 0 29 30 1 0 31 32 1 0 33 34 3 0 M END > 765694 > 380843-75-4 $$$$ SciTegic12181810132D 33 36 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 N 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.9020 -3.7494 0.0000 C 0 0 -3.9072 -5.2494 0.0000 C 0 0 -5.2089 -5.9949 0.0000 C 0 0 -6.5053 -5.2405 0.0000 C 0 0 -6.5001 -3.7405 0.0000 C 0 0 -5.1985 -2.9950 0.0000 C 0 0 -7.5466 -5.8369 0.0000 F 0 0 -5.2130 -7.1949 0.0000 Cl 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 3.8912 -5.2578 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 5.1873 -7.5117 0.0000 N 0 0 6.4837 -8.2663 0.0000 C 0 0 6.4785 -9.7663 0.0000 C 0 0 5.1769 -10.5118 0.0000 C 0 0 3.8804 -9.7573 0.0000 C 0 0 3.8856 -8.2573 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5955 2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 -2.6012 -3.0008 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 32 1 0 2 3 1 0 2 30 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 33 1 0 11 12 2 0 11 16 1 0 11 33 1 0 12 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 14 17 1 0 15 16 2 0 19 20 1 0 19 21 2 0 19 32 1 0 20 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 24 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 30 31 1 0 M END > 765888 > 1110813-31-4 $$$$ SciTegic12181810132D 61 68 0 0 1 0 999 V2000 3.8915 -3.7585 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 5.1954 -3.0153 0.0000 C 0 0 5.2017 -1.8153 0.0000 O 0 0 7.7954 -3.0289 0.0000 S 0 0 6.7594 -2.4233 0.0000 O 0 0 7.8017 -1.8289 0.0000 O 0 0 -0.0140 -5.9954 0.0000 N 0 0 -0.0216 -7.4954 0.0000 C 0 0 -1.3244 -8.2389 0.0000 C 0 0 -2.6197 -7.4823 0.0000 N 0 0 -2.6121 -5.9823 0.0000 C 0 0 -1.3093 -5.2389 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 9.0914 -3.7857 0.0000 C 0 0 9.0841 -5.2857 0.0000 C 0 0 10.3794 -6.0420 0.0000 C 0 0 11.6821 -5.2984 0.0000 C 0 0 11.6895 -3.7984 0.0000 C 0 0 10.3941 -3.0421 0.0000 C 0 0 -3.9247 -8.2235 0.0000 C 0 0 -5.2196 -7.4647 0.0000 C 0 0 -6.5251 -8.2035 0.0000 C 0 0 -7.8177 -7.4425 0.0000 C 0 0 -7.8049 -5.9426 0.0000 C 0 0 -6.4995 -5.2037 0.0000 C 0 0 -5.2069 -5.9647 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 C 0 0 12.9671 -7.5587 0.0000 C 0 0 14.2616 -8.3181 0.0000 C 0 0 14.2543 -9.8181 0.0000 C 0 0 15.5496 -10.5745 0.0000 C 0 0 16.8523 -9.8309 0.0000 O 0 0 16.8597 -8.3310 0.0000 C 0 0 15.5644 -7.5746 0.0000 C 0 0 -7.7665 -4.7432 0.0000 C 0 0 -8.8350 -6.5582 0.0000 C 0 0 -6.5379 -9.7042 0.0000 C 0 0 -5.2465 -10.4674 0.0000 C 0 0 -5.2616 -11.9674 0.0000 C 0 0 -6.5682 -12.7042 0.0000 C 0 0 -7.8596 -11.9411 0.0000 C 0 0 -7.8444 -10.4412 0.0000 C 0 0 -6.5803 -13.9041 0.0000 Cl 0 0 12.9766 -6.0579 0.0000 N 0 0 6.4915 -3.7721 0.0000 N 0 0 -2.7248 1.2135 0.0000 N 0 0 12.9914 -3.0517 0.0000 N 0 3 14.0287 -3.6550 0.0000 O 0 5 12.9956 -1.8517 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 8 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 13 1 0 5 6 2 0 6 7 1 0 7 19 1 0 8 9 2 0 8 57 1 0 10 11 2 0 10 12 2 0 10 25 1 0 10 57 1 0 13 14 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 31 1 0 17 18 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 58 1 0 23 24 2 0 23 39 1 0 25 26 2 0 25 30 1 0 26 27 1 0 27 28 2 0 28 29 1 0 28 56 1 0 29 30 2 0 29 59 1 0 31 32 1 0 32 33 2 0 32 37 1 0 33 34 1 0 33 49 1 0 34 35 1 0 35 36 1 0 35 48 1 0 35 47 1 0 36 37 1 0 38 39 2 0 38 58 1 0 40 41 1 0 40 56 1 0 41 42 1 0 41 46 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 49 50 2 0 49 54 1 0 50 51 1 0 51 52 2 0 52 53 1 0 52 55 1 0 53 54 2 0 59 60 1 0 59 61 2 0 M CHG 2 59 1 60 -1 M END > 766270 > 1257044-40-8 $$$$ SciTegic12181810132D 28 32 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 1 0 0 0 -2.5981 1.5000 0.0000 C 0 0 1 0 0 0 2.3383 -1.3500 0.0000 O 0 0 3.6373 3.6000 0.0000 F 0 0 -3.8978 3.7504 0.0000 C 0 0 -3.9003 5.2504 0.0000 C 0 0 -5.2005 5.9983 0.0000 C 0 0 -6.4983 5.2463 0.0000 C 0 0 -6.4960 3.7463 0.0000 C 0 0 -5.1957 2.9983 0.0000 C 0 0 -3.8978 0.7496 0.0000 C 0 0 -4.0333 -0.7315 0.0000 N 0 0 -5.5000 -1.0457 0.0000 C 0 0 -6.2521 0.2522 0.0000 N 0 0 -5.2502 1.3685 0.0000 N 0 0 -7.5385 5.8446 0.0000 F 0 0 -5.4946 2.5433 0.0000 C 0 0 -1.2991 3.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 1 2 1 0 1 12 2 0 1 28 1 0 2 3 2 0 2 6 1 0 3 4 1 0 3 9 1 0 4 5 2 0 4 11 1 0 5 28 1 0 6 7 2 0 7 8 1 0 7 13 1 0 8 9 2 0 9 27 1 0 10 11 1 0 10 14 1 1 10 27 1 0 11 20 1 6 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 25 1 0 18 19 2 0 20 21 2 0 20 24 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 26 1 0 M END > 767125 > 1207456-01-6 $$$$ SciTegic12181810132D 30 33 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 I 0 0 0.0000 -2.7000 0.0000 F 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2007 -1.4909 0.0000 C 0 0 -6.4972 -0.7365 0.0000 C 0 0 -6.4920 0.7635 0.0000 C 0 0 -5.1903 1.5090 0.0000 C 0 0 -3.8939 0.7546 0.0000 C 0 0 -5.2049 -2.6909 0.0000 F 0 0 -7.5385 -1.3329 0.0000 F 0 0 -2.5931 1.5032 0.0000 C 0 0 -1.5549 0.9015 0.0000 O 0 0 -2.5901 3.0040 0.0000 N 0 0 -1.5296 4.0131 0.0000 C 0 0 -2.5903 5.0737 0.0000 C 0 0 -3.6509 4.0129 0.0000 C 0 0 -3.8895 5.8177 0.0000 C 0 0 2 0 0 0 -5.1859 5.0632 0.0000 C 0 0 -6.4875 5.8086 0.0000 C 0 0 -6.4928 7.3086 0.0000 C 0 0 -5.1964 8.0631 0.0000 C 0 0 -2.6003 -1.4978 0.0000 N 0 0 -3.8947 7.3177 0.0000 N 0 0 -1.5492 5.6704 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 28 1 0 6 8 1 0 9 10 2 0 9 14 1 0 9 28 1 0 10 11 1 0 10 15 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 22 1 0 20 21 1 0 21 22 1 0 23 21 1 6 21 30 1 0 23 24 1 0 23 29 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 29 1 0 M END > 768068 > 934660-93-2 $$$$ SciTegic12181810132D 37 41 0 0 0 0 999 V2000 5.1945 -3.0045 0.0000 N 0 0 3.8943 -3.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 2.5868 -5.9998 0.0000 C 0 0 2.5792 -7.4998 0.0000 C 0 0 1.2764 -8.2433 0.0000 C 0 0 -0.0189 -7.4867 0.0000 C 0 0 -0.0113 -5.9867 0.0000 C 0 0 1.2915 -5.2433 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.3239 -8.2279 0.0000 C 0 0 -2.6188 -7.4691 0.0000 N 0 0 -3.9242 -8.2079 0.0000 C 0 0 -5.2168 -7.4469 0.0000 C 0 0 -5.2041 -5.9470 0.0000 N 0 0 -3.8987 -5.2081 0.0000 C 0 0 -2.6061 -5.9691 0.0000 C 0 0 3.9010 0.4475 0.0000 F 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 N 0 0 0.0000 2.7000 0.0000 F 0 0 -6.4959 -5.1829 0.0000 C 0 0 -6.4840 -3.9829 0.0000 C 0 0 -3.1904 -2.6376 0.0000 C 0 0 -4.3645 -2.8856 0.0000 C 0 0 -2.3889 -3.5306 0.0000 C 0 0 -4.8065 0.0000 0.0000 C 0 0 3.8888 -5.2533 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 37 1 0 3 4 2 0 4 5 1 0 4 13 1 0 5 6 2 0 5 26 1 0 7 8 1 0 7 12 2 0 7 37 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 19 1 0 11 12 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 15 30 1 0 16 17 1 0 16 27 1 0 17 18 2 0 17 29 1 0 19 20 1 0 20 21 1 0 20 25 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 31 1 0 24 25 1 0 27 28 2 0 28 29 1 0 28 36 1 0 29 33 1 0 31 32 1 0 33 34 1 0 33 35 1 0 M END > 768073 > 1231929-97-7 $$$$ SciTegic12181810132D 33 36 0 0 0 0 999 V2000 -3.9205 -0.2371 0.0000 C 0 0 -4.3297 1.2060 0.0000 C 0 0 -3.2846 2.2819 0.0000 N 0 0 -1.8302 1.9148 0.0000 C 0 0 -1.4232 0.4763 0.0000 C 0 0 -2.4661 -0.6043 0.0000 C 0 0 -5.7849 1.5733 0.0000 C 0 0 -4.9662 -1.3137 0.0000 C 0 0 -6.1299 -1.0207 0.0000 F 0 0 -4.6384 -2.4680 0.0000 F 0 0 -5.8019 -2.1748 0.0000 F 0 0 -6.9484 1.8670 0.0000 N 0 0 0.0000 0.0000 0.0000 N 0 0 0.4517 -1.4303 0.0000 C 0 0 1.9573 -1.4303 0.0000 N 0 0 1.2045 0.8582 0.0000 C 0 0 1.2010 2.0582 0.0000 O 0 0 -0.2577 -2.3982 0.0000 S 0 0 2.4240 0.0000 0.0000 C 0 0 3.1015 1.3400 0.0000 C 0 0 4.4565 0.6474 0.0000 C 0 0 3.7640 -0.6775 0.0000 C 0 0 2.8386 -2.6450 0.0000 C 0 0 4.3330 -2.6008 0.0000 C 0 0 5.1203 -3.8776 0.0000 C 0 0 4.4083 -5.1978 0.0000 C 0 0 2.9089 -5.2412 0.0000 C 0 0 2.1216 -3.9645 0.0000 C 0 0 6.3198 -3.8428 0.0000 F 0 0 5.1934 -6.4769 0.0000 C 0 0 6.3930 -6.4442 0.0000 O 0 0 5.1069 -8.8195 0.0000 C 0 0 4.4791 -7.7968 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 8 1 0 2 3 1 0 2 7 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 13 1 0 7 12 3 0 8 9 1 0 8 10 1 0 8 11 1 0 13 14 1 0 13 16 1 0 14 15 1 0 14 18 2 0 15 19 1 0 15 23 1 0 16 17 2 0 16 19 1 0 19 20 1 0 19 22 1 0 20 21 1 0 21 22 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 25 29 1 0 26 27 1 0 26 30 1 0 27 28 2 0 30 31 2 0 30 33 1 0 32 33 1 0 M END > 771649 > 956104-40-8 $$$$ SciTegic12181810132D 30 34 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 N 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1968 -1.5004 0.0000 C 0 0 -5.1993 -3.0005 0.0000 C 0 0 -6.4995 -3.7484 0.0000 C 0 0 -7.7973 -2.9963 0.0000 C 0 0 -7.7950 -1.4963 0.0000 C 0 0 -6.4947 -0.7484 0.0000 C 0 0 -5.1959 1.5022 0.0000 C 0 0 2 0 0 0 -7.7958 1.5065 0.0000 C 0 0 -7.7909 3.0065 0.0000 N 0 0 -9.0874 3.7609 0.0000 C 0 0 -10.3889 3.0153 0.0000 N 0 0 -10.3940 1.5153 0.0000 C 0 0 -9.0975 0.7609 0.0000 C 0 0 -10.9062 -0.8563 0.0000 C 0 0 -9.4139 -0.7045 0.0000 N 0 0 0.0000 -2.7000 0.0000 Cl 0 0 -2.5981 -2.7000 0.0000 O 0 0 -5.1939 2.7022 0.0000 C 0 0 -6.4971 0.7543 0.0000 N 0 0 -11.5117 0.5161 0.0000 N 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 10 1 0 6 26 1 0 7 8 2 0 8 9 1 0 8 17 1 0 9 10 1 0 9 11 1 0 10 27 2 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 17 28 1 1 17 29 1 0 18 19 1 0 18 23 2 0 18 29 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 30 1 0 23 25 1 0 24 25 2 0 24 30 1 0 M END > 772469 > 1201438-56-3 $$$$ SciTegic12181810132D 20 22 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 C 0 0 -3.6065 0.0000 0.0000 N 0 0 -2.7248 -1.2135 0.0000 C 0 0 -5.1072 0.0000 0.0000 C 0 0 -5.9493 -1.2353 0.0000 C 0 0 -8.0952 0.2293 0.0000 C 0 0 -7.2496 1.4682 0.0000 C 0 0 -5.7538 1.3554 0.0000 C 0 0 -9.2918 0.3196 0.0000 O 0 0 -7.4450 -1.1225 0.0000 N 0 0 -5.4289 -2.3166 0.0000 O 0 0 -3.0955 -2.3548 0.0000 O 0 0 -3.0955 2.3548 0.0000 O 0 0 0.0000 -2.7000 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 9 1 0 6 20 1 0 7 8 1 0 7 19 2 0 8 9 1 0 8 10 1 0 9 18 2 0 10 11 1 0 10 14 1 0 11 16 1 0 11 17 2 0 12 13 1 0 12 15 2 0 12 16 1 0 13 14 1 0 M END > 775351 > 19171-19-8 $$$$ SciTegic12181810132D 38 41 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 C 0 0 2.6003 -1.4977 0.0000 O 0 0 3.8990 -0.7455 0.0000 C 0 0 4.9395 -1.3433 0.0000 C 0 0 3.8969 0.4545 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3092 -5.2494 0.0000 N 0 0 -2.6108 -5.9949 0.0000 C 0 0 -3.9072 -5.2404 0.0000 C 0 0 -3.9020 -3.7404 0.0000 C 0 0 -2.6004 -2.9949 0.0000 N 0 0 -4.9485 -5.8368 0.0000 Cl 0 0 -1.3147 -8.2488 0.0000 C 0 0 -0.0155 -7.4988 0.0000 C 0 0 1.2835 -8.2488 0.0000 C 0 0 1.2835 -9.7488 0.0000 C 0 0 -0.0155 -10.4988 0.0000 C 0 0 -1.3146 -9.7488 0.0000 C 0 0 -2.6143 -10.4993 0.0000 S 0 0 -3.9146 -9.7498 0.0000 C 0 0 -2.6139 -11.6993 0.0000 O 0 0 -3.6532 -11.0998 0.0000 O 0 0 -3.9150 -8.5498 0.0000 C 0 0 -4.9538 -10.3498 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -2.6129 -7.4958 0.0000 N 0 0 -0.0048 6.0009 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 8 1 0 2 3 1 0 3 4 2 0 3 31 1 0 4 5 1 0 4 7 1 0 5 6 2 0 6 36 1 0 8 9 1 0 9 10 1 0 9 11 1 0 12 13 2 0 12 17 1 0 12 36 1 0 13 14 1 0 14 15 2 0 14 37 1 0 15 16 1 0 15 18 1 0 16 17 2 0 19 20 1 0 19 24 2 0 19 37 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 25 28 2 0 26 30 1 0 26 29 1 0 31 32 1 0 31 35 1 0 32 33 1 0 33 38 1 0 34 35 1 0 34 38 1 0 M END > 776422 > 1032900-25-6 $$$$ SciTegic12181810132D 36 38 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 2 0 0 0 -5.2024 2.6932 0.0000 C 0 0 -7.8003 1.4887 0.0000 C 0 0 -9.0990 0.7364 0.0000 O 0 0 -7.8024 2.6887 0.0000 O 0 0 -6.4990 0.7409 0.0000 N 0 0 -2.6003 1.4977 0.0000 N 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 C 0 0 4.9530 1.9978 0.0000 N 0 0 4.2010 3.2957 0.0000 N 0 0 2.7342 2.9815 0.0000 C 0 0 4.8053 4.6666 0.0000 C 0 0 4.2568 -0.5878 0.0000 C 0 0 5.7171 -0.9385 0.0000 C 0 0 6.1382 -2.3781 0.0000 C 0 0 5.1020 -3.4627 0.0000 C 0 0 3.6446 -3.1076 0.0000 C 0 0 3.2235 -1.6679 0.0000 C 0 0 7.3041 -2.6622 0.0000 Cl 0 0 2.0577 -1.3834 0.0000 F 0 0 3.0335 -5.6347 0.0000 S 0 0 2.6101 -4.1948 0.0000 N 0 0 3.3726 -6.7858 0.0000 C 0 0 2.2063 -6.5040 0.0000 O 0 0 4.1999 -5.9168 0.0000 O 0 0 4.0971 5.6353 0.0000 C 0 0 5.9983 4.7961 0.0000 C 0 0 -10.1394 1.3342 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 15 1 0 3 4 1 0 4 5 2 0 4 14 1 0 5 6 1 0 7 8 1 0 7 14 1 0 8 13 1 0 8 9 1 1 10 12 2 0 10 13 1 0 10 11 1 0 11 36 1 0 15 16 1 0 15 19 2 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 34 1 0 20 35 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 23 27 1 0 24 25 1 0 25 26 2 0 25 30 1 0 26 28 1 0 29 30 1 0 29 32 2 0 29 33 2 0 29 31 1 0 M END > 778304 $$$$ SciTegic12181810132D 32 36 0 0 0 0 999 V2000 3.8748 -8.2614 0.0000 C 0 0 3.8672 -9.7614 0.0000 C 0 0 1.2692 -9.7483 0.0000 C 0 0 1.2767 -8.2483 0.0000 C 0 0 2.5795 -7.5047 0.0000 N 0 0 2.5847 -6.0040 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2935 -3.7495 0.0000 N 0 0 1.2883 -5.2495 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -0.3115 2.9665 0.0000 N 0 0 -1.8032 3.1233 0.0000 C 0 0 -2.4133 1.7530 0.0000 C 0 0 0.6928 4.0817 0.0000 C 0 0 0.4810 5.5489 0.0000 C 0 0 1.8348 6.1949 0.0000 C 0 0 2.8675 5.1070 0.0000 C 0 0 2.1519 3.7886 0.0000 C 0 0 -2.5551 4.4192 0.0000 C 0 0 -4.0559 4.4171 0.0000 N 0 0 -1.9569 5.4595 0.0000 O 0 0 -4.6581 5.4550 0.0000 C 0 0 -4.6541 3.3768 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 2.5644 -10.5048 0.0000 N 0 0 1 2 1 0 1 5 1 0 2 32 1 0 3 4 1 0 3 32 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 31 1 0 10 11 2 0 12 13 2 0 12 17 1 0 12 31 1 0 13 14 1 0 14 15 2 0 14 18 1 0 15 16 1 0 15 20 1 0 16 17 2 0 18 19 1 0 18 21 1 0 19 20 2 0 19 26 1 0 21 22 1 0 21 25 1 0 22 23 1 0 23 24 1 0 24 25 1 0 26 28 2 0 26 27 1 0 27 29 1 0 27 30 1 0 M END > 778909 > 1211441-98-3 $$$$ SciTegic12181810132D 37 40 0 0 1 0 999 V2000 -2.3020 0.3355 0.0000 C 0 0 -2.9950 -0.0644 0.0000 C 0 0 -2.9950 -0.8644 0.0000 C 0 0 -2.3020 -1.2645 0.0000 N 0 0 -1.6090 -0.8644 0.0000 C 0 0 -1.6090 -0.0644 0.0000 N 0 0 -0.2230 -0.8644 0.0000 C 0 0 0.4689 -1.2645 0.0000 C 0 0 1.1619 -0.8644 0.0000 C 0 0 1.1619 -0.0654 0.0000 C 0 0 0.4689 0.3345 0.0000 C 0 0 -0.2230 -0.0644 0.0000 C 0 0 -0.2240 1.5355 0.0000 C 0 0 -0.9160 1.1345 0.0000 O 0 0 -0.2230 2.3355 0.0000 C 0 0 0.4689 2.7355 0.0000 C 0 0 0.4689 -2.0645 0.0000 O 0 0 1.8549 0.3355 0.0000 N 0 0 2.5479 -0.0644 0.0000 C 0 0 2.5479 -0.8654 0.0000 C 0 0 3.2399 -1.2654 0.0000 N 0 0 -2.3020 1.1355 0.0000 C 0 0 -1.6550 1.6054 0.0000 C 0 0 -1.9020 2.3665 0.0000 N 0 0 -2.7020 2.3665 0.0000 C 0 0 -2.9490 1.6054 0.0000 C 0 0 -3.2370 2.9614 0.0000 C 0 0 -4.0200 2.7945 0.0000 C 0 0 -4.2670 2.0334 0.0000 C 0 0 -3.7320 1.4395 0.0000 C 0 0 -0.9160 -1.2645 0.0000 N 0 0 0.4689 1.1355 0.0000 N 0 0 -1.4320 3.0134 0.0000 C 0 0 1.8549 1.1355 0.0000 C 0 0 3.9329 -0.8654 0.0000 C 0 0 3.2399 -2.0654 0.0000 C 0 0 1.1619 -2.4644 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 22 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 31 1 0 7 8 2 0 7 12 1 0 7 31 1 0 8 9 1 0 8 17 1 0 9 10 2 0 10 11 1 0 10 18 1 0 11 12 2 0 11 32 1 0 13 14 2 0 13 15 1 0 13 32 1 0 15 16 2 0 17 37 1 0 18 19 1 0 18 34 1 0 19 20 1 0 20 21 1 0 21 35 1 0 21 36 1 0 22 23 2 0 22 26 1 0 23 24 1 0 24 25 1 0 24 33 1 0 25 26 2 0 25 27 1 0 26 30 1 0 27 28 2 0 28 29 1 0 29 30 2 0 M END > 779217 > 1421373-65-0 $$$$ SciTegic12181810132D 31 35 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 C 0 0 -4.6588 -2.9478 0.0000 C 0 0 -5.4604 -2.0548 0.0000 O 0 0 -5.1253 -4.3743 0.0000 N 0 0 -6.5450 -4.8173 0.0000 C 0 0 -6.5448 -6.3173 0.0000 C 0 0 -5.1181 -6.7806 0.0000 C 0 0 1 0 0 0 -4.2366 -5.5669 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2 0 0 0 4.2567 0.5878 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 5.1019 3.4627 0.0000 C 0 0 6.1382 2.3782 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 7.3041 2.6623 0.0000 F 0 0 2.0577 1.3835 0.0000 F 0 0 -4.7471 -7.9218 0.0000 O 0 0 -3.1904 -2.6376 0.0000 N 0 0 1 2 1 0 1 6 2 0 1 17 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 7 1 0 5 6 1 0 5 9 2 0 7 8 2 0 8 9 1 0 9 31 1 0 10 11 2 0 10 12 1 0 10 31 1 0 12 13 1 0 12 16 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 30 1 1 17 18 1 0 17 21 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 1 22 23 1 0 22 27 2 0 23 24 2 0 23 29 1 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 M END > 785570 > 1223403-58-4 $$$$ SciTegic12181810132D 40 44 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -3.8991 -0.7525 0.0000 C 0 0 -5.1969 -1.5046 0.0000 C 0 0 -5.1945 -3.0046 0.0000 N 0 0 -3.8943 -3.7525 0.0000 C 0 0 -2.5964 -3.0004 0.0000 C 0 0 -6.4930 -3.7570 0.0000 C 0 0 -7.7945 -3.0112 0.0000 C 0 0 -9.0912 -3.7653 0.0000 C 0 0 -9.0864 -5.2653 0.0000 C 0 0 -7.7850 -6.0112 0.0000 C 0 0 -6.4883 -5.2571 0.0000 C 0 0 -10.3918 -3.0164 0.0000 O 0 0 -10.3939 -1.8164 0.0000 C 0 0 -10.3753 -7.5233 0.0000 C 0 0 -11.6693 -8.2820 0.0000 N 0 0 -11.6594 -9.7820 0.0000 C 0 0 -10.3554 -10.5234 0.0000 C 0 0 -9.0613 -9.7648 0.0000 C 0 0 -9.0713 -8.2648 0.0000 N 0 0 -6.4614 -9.7430 0.0000 C 0 0 -6.4765 -8.2430 0.0000 C 0 0 -5.1851 -7.4799 0.0000 C 0 0 -3.8786 -8.2168 0.0000 C 0 0 -3.8634 -9.7167 0.0000 C 0 0 -5.1548 -10.4798 0.0000 C 0 0 -5.1396 -11.9805 0.0000 P 0 0 -4.0942 -12.5696 0.0000 C 0 0 -6.1724 -12.5917 0.0000 O 0 0 -5.1269 -13.1805 0.0000 C 0 0 -10.3822 -6.0225 0.0000 N 0 0 -7.7551 -10.5039 0.0000 N 0 0 -10.3474 -11.7233 0.0000 Cl 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 8 1 0 8 9 1 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 14 1 0 12 13 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 16 20 1 0 17 18 1 0 17 38 1 0 18 19 2 0 20 21 1 0 22 23 2 0 22 27 1 0 22 38 1 0 23 24 1 0 24 25 2 0 25 26 1 0 25 40 1 0 26 27 2 0 26 39 1 0 28 29 2 0 28 33 1 0 28 39 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 34 36 2 0 34 37 1 0 M END > 787457 > 1197953-54-0 $$$$ SciTegic12181810132D 33 35 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 4.9336 3.1588 0.0000 C 0 0 4.9316 4.3587 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -3.8967 0.7484 0.0000 N 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3092 -5.2494 0.0000 C 0 0 -2.6108 -5.9949 0.0000 C 0 0 -3.9072 -5.2404 0.0000 N 0 0 -3.9020 -3.7404 0.0000 C 0 0 -2.6004 -2.9949 0.0000 C 0 0 -2.6160 -7.4957 0.0000 C 0 0 -1.5792 -8.1000 0.0000 F 0 0 -3.6575 -8.0918 0.0000 F 0 0 -2.6207 -8.6957 0.0000 F 0 0 -6.4955 0.7438 0.0000 C 0 0 -7.5360 1.3415 0.0000 F 0 0 -6.4932 -0.4562 0.0000 F 0 0 -7.5335 0.1417 0.0000 F 0 0 2.5972 1.5031 0.0000 N 0 0 -0.0031 -3.0008 0.0000 N 0 0 3.8916 4.9570 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 31 1 0 3 4 1 0 4 5 2 0 4 11 1 0 5 6 1 0 6 32 1 0 7 8 1 0 7 31 1 0 8 9 1 0 8 10 1 0 8 33 1 0 11 12 1 0 11 16 2 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 27 1 0 17 18 2 0 17 22 1 0 17 32 1 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 21 22 2 0 23 24 1 0 23 25 1 0 23 26 1 0 27 28 1 0 27 29 1 0 27 30 1 0 M END > 788120 > 1446502-11-9 $$$$ SciTegic12181810132D 26 27 0 0 1 0 999 V2000 4.2010 -3.2956 0.0000 C 0 0 2 0 0 0 4.9531 -1.9978 0.0000 C 0 0 2 0 0 0 3.9511 -0.8815 0.0000 C 0 0 2 0 0 0 2.5987 -1.5004 0.0000 C 0 0 1 0 0 0 2.7343 -2.9815 0.0000 O 0 0 4.8111 -4.6641 0.0000 C 0 0 6.3036 -4.8212 0.0000 O 0 0 6.9148 -6.1919 0.0000 C 0 0 6.2096 -7.1629 0.0000 C 0 0 8.1082 -6.3175 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 4.2567 0.5852 0.0000 O 0 0 5.6819 1.0557 0.0000 C 0 0 6.5772 0.2566 0.0000 C 0 0 5.9267 2.2304 0.0000 O 0 0 6.4437 -1.8466 0.0000 O 0 0 7.3222 -3.0635 0.0000 C 0 0 6.8304 -4.1581 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 8.5160 -2.9424 0.0000 O 0 0 1 2 1 0 1 5 1 0 1 6 1 1 2 3 1 0 2 22 1 6 3 4 1 0 3 18 1 6 4 5 1 0 4 11 1 1 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 11 12 1 0 11 15 1 0 12 17 2 0 12 25 1 0 13 14 1 0 13 16 2 0 13 25 1 0 14 15 2 0 18 19 1 0 19 20 1 0 19 21 2 0 22 23 1 0 23 24 1 0 23 26 2 0 M END > 788948 > 4105-38-8 $$$$ SciTegic12181810132D 41 45 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5977 -1.5021 0.0000 C 0 0 1 0 0 0 2.5952 -3.0030 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2947 -3.7520 0.0000 N 0 0 1.2922 -5.2528 0.0000 C 0 0 0.2320 -6.2623 0.0000 C 0 0 1.2931 -7.3225 0.0000 C 0 0 2.3533 -6.2614 0.0000 C 0 0 0.2521 -7.9194 0.0000 F 0 0 2.3345 -7.9187 0.0000 F 0 0 3.8983 -0.7531 0.0000 N 0 0 3.9008 0.7478 0.0000 C 0 0 2.8623 1.3492 0.0000 O 0 0 5.1969 -1.5052 0.0000 C 0 0 6.4981 -0.7588 0.0000 C 0 0 7.7951 -1.5123 0.0000 C 0 0 7.7910 -3.0123 0.0000 C 0 0 6.4900 -3.7587 0.0000 N 0 0 5.1930 -3.0052 0.0000 C 0 0 8.8360 -0.9151 0.0000 F 0 0 5.2013 1.4968 0.0000 C 0 0 1 0 0 0 5.3437 2.9772 0.0000 N 0 0 6.8119 3.2846 0.0000 C 0 0 7.5579 1.9832 0.0000 C 0 0 6.5508 0.8716 0.0000 C 0 0 7.3034 4.3793 0.0000 O 0 0 4.2256 3.9783 0.0000 C 0 0 2.7730 3.6256 0.0000 C 0 0 1.7384 4.7117 0.0000 C 0 0 2.1617 6.1508 0.0000 C 0 0 3.6196 6.5037 0.0000 C 0 0 4.6542 5.4176 0.0000 N 0 0 0.2797 4.3586 0.0000 C 0 0 -0.8866 4.0762 0.0000 N 0 0 3.6337 -3.6044 0.0000 O 0 0 2 1 1 6 1 5 2 0 1 9 1 0 2 3 1 0 2 17 1 0 3 10 1 0 3 41 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 10 11 1 0 11 12 1 0 11 14 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 17 18 1 0 17 20 1 0 18 19 2 0 27 18 1 1 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 22 26 1 0 23 24 1 0 24 25 2 0 27 28 1 0 27 31 1 0 28 29 1 0 28 33 1 0 29 30 1 0 29 32 2 0 30 31 1 0 33 34 2 0 33 38 1 0 34 35 1 0 35 36 2 0 35 39 1 0 36 37 1 0 37 38 2 0 39 40 3 0 M END > 789102 > 1448347-49-6 $$$$ SciTegic12181810132D 35 39 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 2.7248 1.2135 0.0000 C 0 0 3.6065 0.0000 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.1884 -2.6409 0.0000 C 0 0 4.6235 -3.0601 0.0000 C 0 0 4.9782 -4.5176 0.0000 C 0 0 3.8933 -5.5535 0.0000 C 0 0 2.4538 -5.1320 0.0000 C 0 0 2.0991 -3.6745 0.0000 C 0 0 4.2452 -7.0125 0.0000 C 0 0 5.3963 -7.3517 0.0000 O 0 0 3.5102 -9.5064 0.0000 C 0 0 2.4254 -10.5424 0.0000 N 0 0 2.7801 -11.9999 0.0000 C 0 0 4.2196 -12.4215 0.0000 C 0 0 5.3045 -11.3856 0.0000 C 0 0 4.9498 -9.9281 0.0000 C 0 0 3.1884 2.6409 0.0000 C 0 0 1 0 0 0 2.3979 3.8950 0.0000 N 0 0 3.3718 5.0359 0.0000 C 0 0 4.7578 4.4622 0.0000 C 0 0 4.6405 2.9668 0.0000 C 0 0 0.9036 4.0025 0.0000 C 0 0 0.2474 5.3523 0.0000 C 0 0 0.2309 3.0087 0.0000 O 0 0 -0.4088 6.7020 0.0000 C 0 0 -0.9335 7.7813 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 3.1583 -8.0474 0.0000 N 0 0 1 2 1 0 1 5 2 0 1 6 1 0 2 3 1 0 2 9 1 0 3 4 2 0 24 3 1 1 4 5 1 0 5 10 1 0 6 7 2 0 6 34 1 0 7 8 1 0 8 9 2 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 16 1 0 14 15 2 0 16 17 2 0 16 35 1 0 18 19 2 0 18 23 1 0 18 35 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 24 25 1 0 24 28 1 0 25 26 1 0 25 29 1 0 26 27 1 0 27 28 1 0 29 30 1 0 29 31 2 0 30 32 3 0 32 33 1 0 M END > 791164 > 1420477-60-6 $$$$ SciTegic12181810132D 35 39 0 0 0 0 999 V2000 7.7876 -6.0110 0.0000 C 0 0 7.7875 -7.5110 0.0000 O 0 0 6.4885 -8.2610 0.0000 C 0 0 5.1895 -7.5109 0.0000 C 0 0 5.1894 -6.0109 0.0000 N 0 0 6.4885 -5.2610 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 N 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0048 5.9994 0.0000 C 0 0 1.0430 5.3976 0.0000 O 0 0 2.6003 1.4978 0.0000 O 0 0 3.6387 0.8963 0.0000 C 0 0 -1.2960 5.2508 0.0000 N 0 0 0.0079 7.5002 0.0000 C 0 0 1.3070 8.2503 0.0000 C 0 0 1.3070 9.7503 0.0000 N 0 0 0.0080 10.5003 0.0000 C 0 0 -1.2911 9.7503 0.0000 N 0 0 -1.2911 8.2503 0.0000 C 0 0 0.0080 11.7003 0.0000 N 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 N 0 0 -4.0238 3.4635 0.0000 C 0 0 -4.9055 2.2500 0.0000 C 0 0 -4.0238 1.0365 0.0000 N 0 0 1 2 1 0 1 6 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 16 2 0 12 13 2 0 12 21 1 0 13 14 1 0 13 17 1 0 14 15 2 0 14 31 1 0 15 16 1 0 17 18 2 0 18 23 1 0 18 32 1 0 19 20 2 0 19 23 1 0 19 24 1 0 21 22 1 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 27 28 1 0 27 30 1 0 28 29 2 0 31 32 1 0 31 35 2 0 32 33 1 0 33 34 1 0 34 35 1 0 M END > 809693 > 1032568-63-0 $$$$