SciTegic05042114222D 18 19 0 0 1 0 999 V2000 -3.6373 3.6000 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 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 -1.2990 0.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -2.5981 1.5000 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 0 0 0 -1.3022 5.2508 0.0000 C 0 0 -2.3422 5.8493 0.0000 O 0 0 -0.2640 5.8526 0.0000 O 0 0 1.0392 3.6000 0.0000 O 0 0 -3.6373 0.9000 0.0000 C 0 0 -2.3383 -1.3500 0.0000 C 0 0 0.0000 -2.7000 0.0000 C 0 0 1 8 2 0 2 6 1 0 2 11 1 0 3 4 2 0 3 5 1 0 3 15 1 0 4 8 1 0 4 12 1 0 5 6 2 0 5 7 1 0 7 9 2 0 7 10 1 0 8 9 1 0 9 16 1 0 10 11 1 0 10 17 1 1 11 18 1 6 12 13 2 0 12 14 1 0 M END > 186 > 518-75-2 $$$$ SciTegic05042114222D 29 32 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 3.8724 9.7587 0.0000 O 0 0 2.5586 12.0028 0.0000 C 0 0 1.2544 12.7438 0.0000 C 0 0 2.5690 10.5028 0.0000 C 0 0 -0.0395 11.9848 0.0000 C 0 0 1.2751 9.7438 0.0000 C 0 0 -0.0291 10.4848 0.0000 C 0 0 5.1824 7.5124 0.0000 C 0 0 5.1876 6.0124 0.0000 C 0 0 3.8807 8.2579 0.0000 C 0 0 2.5843 7.5034 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 2.5895 6.0034 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 1 16 2 0 2 24 2 0 3 6 1 0 3 12 1 0 4 5 2 0 4 6 1 0 5 7 1 0 6 8 2 0 7 9 2 0 8 9 1 0 10 12 2 0 10 11 1 0 11 14 2 0 12 13 1 0 13 15 2 0 14 15 1 0 14 29 1 0 16 17 1 0 16 18 1 0 17 21 2 0 17 27 1 0 18 22 2 0 18 19 1 0 19 20 2 0 20 23 1 0 21 24 1 0 21 26 1 0 22 25 1 0 22 24 1 0 23 25 2 0 27 28 1 0 28 29 1 0 M END > 377 > 5394-71-8 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 534 $$$$ SciTegic05042114222D 33 35 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 -3.0000 0.0000 N 0 0 -2.5981 -3.0000 0.0000 N 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.6060 6.0003 0.0000 C 0 0 2.6060 7.5003 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 0.0079 6.0003 0.0000 C 0 0 1.3070 8.2503 0.0000 C 0 0 0.0079 7.5003 0.0000 C 0 0 -1.3038 14.2500 0.0000 C 0 0 -1.3007 12.7491 0.0000 C 0 0 0.0001 12.0006 0.0000 C 0 0 2 0 0 0 1.3039 9.7511 0.0000 C 0 0 2.3421 10.3529 0.0000 O 0 0 1.3039 3.7494 0.0000 N 0 0 0.0031 3.0008 0.0000 C 0 0 2.3421 3.1476 0.0000 C 0 0 0.0031 10.4997 0.0000 N 0 0 -1.2990 -4.9500 0.0000 N 0 0 -3.6373 -0.9000 0.0000 N 0 0 1.3001 12.7505 0.0000 C 0 0 1.3001 13.9505 0.0000 O 0 0 2.3395 12.1508 0.0000 O 0 0 -2.6046 14.9985 0.0000 C 0 0 -3.6428 14.3967 0.0000 O 0 0 -2.6071 16.1985 0.0000 O 0 0 1 9 2 0 1 6 1 0 2 10 2 0 2 7 1 0 3 5 2 0 3 6 1 0 4 8 2 0 4 5 1 0 5 26 1 0 6 7 2 0 7 8 1 0 8 27 1 0 9 10 1 0 10 23 1 0 11 12 2 0 11 13 1 0 12 15 1 0 13 14 2 0 13 22 1 0 14 16 1 0 15 16 2 0 15 20 1 0 17 18 1 0 17 31 1 0 19 18 1 1 19 25 1 0 19 28 1 0 20 21 2 0 20 25 1 0 22 23 1 0 22 24 1 0 28 29 1 0 28 30 2 0 31 32 1 0 31 33 2 0 M END > 740 > 59-05-2 $$$$ SciTegic05042114222D 13 14 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 0.0000 2.5000 0.0000 H 0 0 -2.7248 -1.2135 0.0000 N 0 0 -3.0337 -2.1646 0.0000 H 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 1 12 2 0 1 9 1 0 2 11 1 0 2 12 1 0 2 4 1 0 3 9 2 0 5 8 1 0 5 10 1 0 5 6 1 0 7 8 2 0 7 11 1 0 9 10 1 0 10 11 2 0 12 13 1 0 M END > 749 > 134-58-7 $$$$ SciTegic05042114222D 14 13 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 S 0 0 0.2606 0.1503 0.0000 O 0 0 1.3000 1.9500 0.0000 O 0 0 2.6000 0.0000 0.0000 O 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 O 0 0 10.3999 0.0000 0.0000 S 0 0 11.4393 0.5997 0.0000 O 0 0 10.3999 -1.2000 0.0000 O 0 0 11.4391 -0.6002 0.0000 C 0 0 0.2609 1.3502 0.0000 C 0 0 1 2 2 0 1 3 2 0 1 4 1 0 1 14 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 M END > 750 > 55-98-1 $$$$ SciTegic05042114222D 12 13 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 -2.7000 0.0000 S 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 2.5000 0.0000 H 0 0 -2.7248 -1.2135 0.0000 N 0 0 -3.0337 -2.1646 0.0000 H 0 0 -2.7248 1.2135 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 12 2 0 1 8 1 0 2 8 2 0 3 10 1 0 3 12 1 0 3 4 1 0 5 9 1 0 5 11 1 0 5 6 1 0 7 11 2 0 7 10 1 0 8 9 1 0 9 10 2 0 M END > 755 > 50-44-2 $$$$ SciTegic05042114222D 30 32 0 0 1 0 999 V2000 -1.7627 -1.5440 0.0000 O 0 0 -0.7617 -1.2290 0.0000 H 0 0 0.8432 2.0199 0.0000 C 0 0 1.4812 1.6519 0.0000 C 0 0 0.2052 1.6519 0.0000 C 0 0 1.4812 0.9149 0.0000 C 0 0 0.2052 0.9149 0.0000 C 0 0 0.8432 0.5460 0.0000 C 0 0 -0.4327 0.5460 0.0000 C 0 0 -1.0577 0.9079 0.0000 C 0 0 -1.6867 0.5450 0.0000 C 0 0 0.8432 -0.1899 0.0000 C 0 0 -0.4327 -0.1899 0.0000 C 0 0 -1.6867 -0.1899 0.0000 C 0 0 0.5832 -0.8799 0.0000 C 0 0 -0.6857 -0.9099 0.0000 C 0 0 -0.1567 -0.8799 0.0000 C 0 0 2 0 0 0 -1.3967 -0.9099 0.0000 C 0 0 -2.2957 -0.5420 0.0000 O 0 0 -2.9367 -0.1723 0.0000 C 0 0 -0.3847 1.9919 0.0000 O 0 0 -1.0253 1.6214 0.0000 C 0 0 -0.1567 -1.6399 0.0000 N 0 0 -0.7976 -2.0099 0.0000 C 0 0 -1.4384 -1.6399 0.0000 O 0 0 -0.7976 -2.7500 0.0000 C 0 0 0.8432 2.7100 0.0000 O 0 0 0.2023 3.0799 0.0000 C 0 0 2.1062 2.0119 0.0000 O 0 0 2.7467 1.6413 0.0000 C 0 0 1 18 2 0 17 2 1 1 3 5 2 0 3 4 1 0 3 27 1 0 4 6 2 0 4 29 1 0 5 7 1 0 5 21 1 0 6 8 1 0 7 8 2 0 7 9 1 0 8 12 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 14 2 0 12 15 1 0 13 16 2 0 13 17 1 0 14 18 1 0 14 19 1 0 15 17 1 0 16 18 1 0 17 23 1 0 19 20 1 0 21 22 1 0 23 24 1 0 24 25 2 0 24 26 1 0 27 28 1 0 29 30 1 0 M END > 757 > 64-86-8 $$$$ SciTegic05042114222D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.5898 -7.5116 0.0000 C 0 0 1.2884 -8.2576 0.0000 C 0 0 2.5944 -6.0116 0.0000 C 0 0 1.2977 -5.2576 0.0000 C 0 0 -0.0083 -7.5035 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -3.9051 -8.2503 0.0000 C 0 0 -3.9051 -9.7503 0.0000 C 0 0 -2.6060 -7.5002 0.0000 C 0 0 -1.3070 -8.2503 0.0000 C 0 0 -2.6061 -10.5003 0.0000 C 0 0 -1.3070 -9.7503 0.0000 C 0 0 -1.3021 -5.2508 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -0.0037 -6.0035 0.0000 C 0 0 -2.6029 -5.9994 0.0000 N 0 0 -2.6030 -12.0011 0.0000 C 0 0 -3.6412 -12.6029 0.0000 O 0 0 -1.5630 -12.5997 0.0000 O 0 0 1.0392 -3.6000 0.0000 O 0 0 1 13 2 0 1 8 1 0 2 4 2 0 2 3 1 0 3 6 2 0 4 5 1 0 5 23 2 0 6 23 1 0 7 8 1 0 7 22 2 0 7 28 1 0 8 9 2 0 9 11 1 0 9 12 1 0 10 11 2 0 10 22 1 0 12 14 2 0 13 14 1 0 15 16 2 0 15 17 1 0 16 19 1 0 17 18 2 0 17 24 1 0 18 20 1 0 19 20 2 0 19 25 1 0 21 22 1 0 21 23 1 0 21 24 1 0 25 26 1 0 25 27 2 0 M END > 1011 > 5335-97-7 $$$$ SciTegic05042114222D 9 9 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -1.9413 -0.8880 0.0000 N 0 0 -0.1233 -2.3813 0.0000 C 0 0 1.0701 -2.5072 0.0000 O 0 0 -0.8287 -3.3521 0.0000 O 0 0 1 2 1 0 1 3 1 0 2 5 1 0 3 4 1 0 3 6 1 0 3 7 1 0 4 5 1 0 7 8 2 0 7 9 1 0 M END > 1026 > 52-52-8 $$$$ SciTegic05042114222D 9 8 0 0 0 0 999 V2000 3.9000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 Br 0 0 1.3000 1.9500 0.0000 Br 0 0 2.6000 -1.2000 0.0000 O 0 0 4.9394 0.1503 0.0000 Br 0 0 3.9000 1.9500 0.0000 C 0 0 4.9391 1.3502 0.0000 C 0 0 1 2 1 0 1 7 1 0 1 8 1 0 1 9 1 0 2 3 1 0 2 6 2 0 3 4 1 0 3 5 1 0 M END > 1027 > 1578-05-8 $$$$ SciTegic05042114222D 16 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 3.8990 0.7455 0.0000 C 0 0 6.5517 0.8722 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 5.2003 1.4932 0.0000 C 0 0 5.3382 2.9741 0.0000 C 0 0 6.8054 3.2860 0.0000 C 0 0 7.5554 1.9870 0.0000 C 0 0 2.6003 1.4978 0.0000 N 0 0 -0.3115 2.9665 0.0000 C 0 0 -1.8032 3.1233 0.0000 N 0 0 -2.4133 1.7530 0.0000 N 0 0 1 7 2 0 1 8 1 0 2 8 2 0 2 5 1 0 3 9 1 0 3 13 1 0 4 9 1 0 4 12 1 0 5 6 2 0 5 16 1 0 6 7 1 0 6 14 1 0 7 13 1 0 9 10 2 0 10 11 1 0 11 12 2 0 14 15 2 0 15 16 1 0 M END > 1620 $$$$ SciTegic05042114222D 12 11 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 N 0 0 0.2606 0.1503 0.0000 C 0 0 1.3000 1.9500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 2.6000 -1.2000 0.0000 S 0 0 3.9000 0.7500 0.0000 S 0 0 5.2000 0.0000 0.0000 S 0 0 6.5000 0.7500 0.0000 C 0 0 6.5000 1.9500 0.0000 S 0 0 7.7999 0.0000 0.0000 N 0 0 8.8394 0.5997 0.0000 C 0 0 7.7999 -1.2000 0.0000 C 0 0 1 2 1 0 1 3 1 0 1 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 12 1 0 M END > 1771 > 137-26-8 $$$$ SciTegic05042114222D 9 9 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.0432 -3.5994 0.0000 S 0 0 1.0351 -3.6026 0.0000 S 0 0 1 2 1 0 1 6 1 0 2 3 1 0 3 5 1 0 4 6 1 0 4 5 1 0 6 7 1 0 7 8 2 0 7 9 1 0 M END > 1906 > 98-77-1 $$$$ SciTegic05042114222D 32 35 0 0 0 0 999 V2000 -0.3114 -2.9665 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.7559 1.4357 0.0000 C 0 0 -4.3139 0.0023 0.0000 C 0 0 -2.9079 -4.2927 0.0000 C 0 0 -3.7355 2.5352 0.0000 C 0 0 -2.8516 -0.3317 0.0000 C 0 0 -3.3924 -2.8731 0.0000 C 0 0 -3.8950 -5.4221 0.0000 C 0 0 -2.2732 2.2012 0.0000 C 0 0 -1.8312 0.7678 0.0000 C 0 0 -4.8640 -2.5829 0.0000 C 0 0 -5.3667 -5.1319 0.0000 C 0 0 -5.8512 -3.7123 0.0000 C 0 0 0.4916 -3.8582 0.0000 O 0 0 -1.8032 -3.1233 0.0000 O 0 0 -6.1564 -6.0354 0.0000 O 0 0 -5.2517 -1.4472 0.0000 C 0 0 -5.1302 -0.8773 0.0000 C 0 0 -1.2500 3.2992 0.0000 C 0 0 -0.0805 3.0304 0.0000 C 0 0 -1.6015 4.4465 0.0000 C 0 0 -4.0891 3.6819 0.0000 O 0 0 -3.4073 -6.8415 0.0000 C 0 0 -2.2297 -7.0720 0.0000 C 0 0 -4.1955 -7.7464 0.0000 C 0 0 1 21 2 0 1 22 1 0 1 3 1 0 2 4 2 0 2 3 1 0 3 6 2 0 4 7 1 0 5 22 1 0 5 6 1 0 5 13 1 0 5 14 1 0 6 8 1 0 7 8 2 0 9 10 1 0 9 12 2 0 10 13 2 0 10 25 1 0 11 15 2 0 11 14 1 0 12 16 1 0 12 29 1 0 13 17 1 0 14 18 2 0 15 19 1 0 15 30 1 0 16 17 2 0 16 26 1 0 18 20 1 0 18 24 1 0 19 20 2 0 19 23 1 0 26 27 1 0 26 28 1 0 30 31 1 0 30 32 1 0 M END > 2186 > 125-20-2 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1961 -3.0000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -1.2990 1.9500 0.0000 Cl 0 0 -2.5981 2.7000 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 1.2696 1.9496 0.0000 Cl 0 0 -5.1667 -0.3004 0.0000 C 0 0 -6.4596 -2.2716 0.0000 C 0 0 -6.4601 -3.4716 0.0000 O 0 0 -7.4988 -1.6715 0.0000 O 0 0 -1.5588 -2.1000 0.0000 C 0 0 2.5625 -0.0215 0.0000 C 0 0 2.5630 -1.2215 0.0000 C 0 0 3.6017 0.5786 0.0000 C 0 0 1 2 1 0 1 3 1 0 2 18 1 0 2 4 1 0 2 24 1 0 3 5 1 0 4 17 1 0 4 7 1 0 5 7 1 0 5 8 1 0 6 8 1 0 6 9 1 0 7 15 1 0 7 10 1 0 8 11 1 0 8 23 1 0 9 12 1 0 10 16 1 0 10 13 1 0 11 13 1 0 11 14 1 0 12 14 1 0 14 19 1 0 14 20 1 0 20 21 2 0 20 22 1 0 24 25 1 0 24 26 1 0 M END > 2979 $$$$ SciTegic05042114222D 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 $$$$ SciTegic05042114222D 13 14 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 -3.8994 -0.7523 0.0000 N 0 0 -4.9378 -1.3537 0.0000 O 0 0 1 8 2 0 1 3 1 0 2 4 2 0 2 3 1 0 2 11 1 0 3 5 2 0 4 6 1 0 5 7 1 0 5 10 1 0 6 10 2 0 7 9 2 0 8 9 1 0 10 12 1 0 12 13 2 0 M END > 3852 > 3565-26-2 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 3.8990 0.7525 0.0000 N 0 0 6.5026 -0.7438 0.0000 N 0 0 7.8041 -1.4896 0.0000 C 0 0 9.1007 -0.7355 0.0000 C 0 0 9.0959 0.7645 0.0000 C 0 0 7.7945 1.5104 0.0000 C 0 0 6.4978 0.7563 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 14 2 0 1 18 1 0 2 9 2 0 2 13 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 M END > 3905 > 1148-79-4 $$$$ SciTegic05042114222D 10 10 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 2.5000 0.0000 H 0 0 0.0000 1.5000 0.0000 N 0 0 -2.3383 1.3500 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 -2.1651 -1.2500 0.0000 H 0 0 1 3 2 0 1 2 1 0 2 9 2 0 2 8 1 0 3 6 1 0 4 8 1 0 4 6 1 0 4 7 2 0 5 6 1 0 8 10 1 0 M END > 3970 > 66-22-8 $$$$ SciTegic05042114222D 9 9 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 O 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.6387 0.8962 0.0000 S 0 0 -2.6024 2.6977 0.0000 S 0 0 1 4 1 0 1 6 1 0 2 3 1 0 2 5 1 0 2 7 1 0 3 4 1 0 5 6 1 0 7 8 2 0 7 9 1 0 M END > 4114 > 5327-10-6 $$$$ SciTegic05042114222D 13 14 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 2.3383 1.3500 0.0000 C 0 0 1 11 2 0 1 3 1 0 1 4 1 0 2 5 2 0 2 4 1 0 3 6 2 0 3 13 1 0 4 7 2 0 5 8 1 0 6 9 1 0 7 9 1 0 7 10 1 0 8 10 2 0 9 12 2 0 M END > 4170 > 58-27-5 $$$$ SciTegic05042114222D 16 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 -3.7500 0.0000 N 0 0 1.2990 -5.2500 0.0000 C 0 0 0.0000 -6.0000 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 2.3383 -5.8500 0.0000 C 0 0 1 14 2 0 1 8 1 0 2 3 2 0 2 7 1 0 3 4 1 0 3 16 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 8 10 2 0 9 11 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 M END > 4280 > 484-11-7 $$$$ SciTegic05042114222D 32 36 0 0 0 0 999 V2000 2.3947 -1.7666 0.0000 C 0 0 1.7758 -3.1329 0.0000 C 0 0 0.2851 -2.9666 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 2.5980 6.0000 0.0000 C 0 0 2.5980 7.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 1.2990 8.2500 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -0.0001 7.5000 0.0000 C 0 0 1.2990 9.4500 0.0000 O 0 0 -1.0248 6.8756 0.0000 C 0 0 2.3382 4.6500 0.0000 C 0 0 0.0281 8.6997 0.0000 C 0 0 4.6568 -2.3734 0.0000 C 0 0 -1.0392 2.4000 0.0000 C 0 0 3.8640 -1.4726 0.0000 C 0 0 4.2480 -0.3357 0.0000 C 0 0 -1.0392 2.1000 0.0000 C 0 0 -1.2465 -2.3315 0.0000 C 0 0 -1.1707 -3.5291 0.0000 O 0 0 1 2 1 0 1 4 1 0 1 28 1 0 2 3 1 0 3 5 1 0 4 6 1 0 4 5 1 0 5 9 1 0 5 31 1 0 6 7 1 0 6 10 1 0 7 8 1 0 8 11 1 0 9 12 1 0 10 13 1 0 10 12 1 0 10 30 1 0 11 13 1 0 11 14 1 0 13 17 1 0 13 27 1 0 14 15 1 0 14 18 1 0 14 24 1 0 15 16 1 0 16 19 1 0 17 20 1 0 18 21 1 0 18 20 1 0 19 21 1 0 19 22 1 0 21 23 1 0 21 25 1 0 26 28 2 0 28 29 1 0 31 32 1 0 M END > 4644 > 473-98-3 $$$$ SciTegic05042114222D 6 6 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 N 0 0 0.0000 1.2760 0.0000 S 0 0 -0.7500 -1.0323 0.0000 N 0 0 1.2135 0.3943 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -2.3548 0.7651 0.0000 N 0 0 1 4 2 0 1 3 1 0 2 4 1 0 2 5 1 0 3 5 2 0 5 6 1 0 M END > 4728 > 4005-51-0 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 0.3578 -3.7096 0.0000 H 0 0 -0.3114 -2.9665 0.0000 N 0 0 -2.4032 -4.1625 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -6.8143 -0.8248 0.0000 C 0 0 -6.3509 -2.2515 0.0000 C 0 0 -8.2815 -0.5127 0.0000 C 0 0 -9.2853 -1.6273 0.0000 C 0 0 -7.3549 -3.3660 0.0000 C 0 0 -8.8220 -3.0539 0.0000 C 0 0 -3.8794 -1.4442 0.0000 N 0 0 -4.8823 -2.5608 0.0000 N 0 0 -6.8943 -4.7945 0.0000 N 0 3 -5.7210 -5.0462 0.0000 O 0 5 -7.6987 -5.6849 0.0000 O 0 0 -10.7540 -1.3180 0.0000 N 0 3 -11.1266 -0.1774 0.0000 O 0 5 -11.5558 -2.2108 0.0000 O 0 0 1 2 1 0 2 5 1 0 2 11 1 0 3 11 2 0 4 6 2 0 4 5 1 0 5 7 2 0 6 8 1 0 7 9 1 0 7 10 1 0 8 9 2 0 10 11 1 0 10 18 2 0 12 14 2 0 12 13 1 0 13 16 2 0 13 19 1 0 14 15 1 0 15 17 2 0 15 23 1 0 16 17 1 0 16 20 1 0 18 19 1 0 20 21 1 0 20 22 2 0 23 24 1 0 23 25 2 0 M CHG 4 20 1 21 -1 23 1 24 -1 M END > 4810 > 2058-71-1 $$$$ SciTegic05042114222D 8 7 0 0 0 0 999 V2000 2.6000 0.0000 0.0000 N 0 0 1.3000 0.7500 0.0000 C 0 0 2.5969 -1.5008 0.0000 C 0 0 1.5568 -2.0994 0.0000 C 0 0 0.2606 0.1503 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 4.9394 0.1503 0.0000 S 0 0 3.9000 1.9500 0.0000 S 0 0 1 2 1 0 1 3 1 0 1 6 1 0 2 5 1 0 3 4 1 0 6 7 2 0 6 8 1 0 M END > 4857 > 148-18-5 $$$$ SciTegic05042114222D 9 9 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.0432 -3.5994 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 4 2 0 2 8 1 0 3 5 1 0 4 6 1 0 5 6 2 0 5 7 1 0 8 9 1 0 M END > 4960 > 150-76-5 $$$$ SciTegic05042114222D 51 57 0 0 0 0 999 V2000 8.5795 -3.7908 0.0000 C 0 0 5.9350 3.8367 0.0000 C 0 0 2.5174 -0.2031 0.0000 C 0 0 3.4238 -3.6929 0.0000 C 0 0 9.4558 2.9293 0.0000 C 0 0 10.3539 2.4015 0.0000 C 0 0 8.5538 2.4085 0.0000 C 0 0 10.3871 -3.8367 0.0000 C 0 0 11.3225 -3.2870 0.0000 C 0 0 9.4475 -3.2942 0.0000 C 0 0 10.3378 1.3600 0.0000 C 0 0 11.2198 -2.2092 0.0000 C 0 0 8.5618 1.3669 0.0000 C 0 0 9.4558 -2.2092 0.0000 C 0 0 9.4718 0.8600 0.0000 C 0 0 10.3539 -1.6815 0.0000 C 0 0 10.3378 -0.6400 0.0000 C 0 0 11.2038 -0.1400 0.0000 C 0 0 11.2038 0.8600 0.0000 C 0 0 9.4718 -0.1400 0.0000 C 0 0 8.5538 -1.6884 0.0000 C 0 0 12.1138 -0.6468 0.0000 C 0 0 5.9465 2.8367 0.0000 C 0 0 3.3891 -0.6931 0.0000 C 0 0 5.0864 2.3268 0.0000 C 0 0 3.4007 -1.6930 0.0000 C 0 0 5.0979 1.3268 0.0000 C 0 0 5.1326 -1.6730 0.0000 C 0 0 4.2724 -2.1829 0.0000 C 0 0 5.9697 0.8369 0.0000 C 0 0 5.1210 -0.6730 0.0000 C 0 0 6.8299 1.3469 0.0000 C 0 0 12.0699 1.3600 0.0000 O 0 0 4.2146 2.8167 0.0000 O 0 0 2.5405 -2.2030 0.0000 O 0 0 4.2377 0.8169 0.0000 O 0 0 6.0044 -2.1629 0.0000 O 0 0 7.6858 -2.1851 0.0000 O 0 0 12.9740 -0.1368 0.0000 O 0 0 12.1219 -1.6884 0.0000 O 0 0 8.5618 -0.6468 0.0000 O 0 0 4.2493 -0.1831 0.0000 O 0 0 6.8183 2.3468 0.0000 O 0 0 4.2840 -3.1829 0.0000 O 0 0 7.7016 0.8569 0.0000 O 0 0 5.9812 -0.1631 0.0000 O 0 0 12.0699 1.9800 0.0000 H 0 0 4.2074 3.4367 0.0000 H 0 0 2.0000 -1.8992 0.0000 H 0 0 3.6972 1.1206 0.0000 H 0 0 6.0115 -2.7829 0.0000 H 0 0 1 10 1 0 2 23 1 0 3 24 1 0 4 44 1 0 5 6 2 0 5 7 1 0 6 11 1 0 7 13 2 0 8 9 2 0 8 10 1 0 9 12 1 0 10 14 2 0 11 15 2 0 11 19 1 0 12 16 2 0 12 40 1 0 13 15 1 0 13 45 1 0 14 16 1 0 14 21 1 0 15 20 1 0 16 17 1 0 17 18 1 0 17 20 2 0 18 19 2 0 18 22 1 0 19 33 1 0 20 41 1 0 21 38 2 0 21 41 1 0 22 39 2 0 22 40 1 0 23 25 1 0 23 43 1 0 24 26 1 0 24 42 1 0 25 27 1 0 25 34 1 0 26 29 1 0 26 35 1 0 27 30 1 0 27 36 1 0 28 29 1 0 28 31 1 0 28 37 1 0 29 44 1 0 30 32 1 0 30 46 1 0 31 42 1 0 31 46 1 0 32 43 1 0 32 45 1 0 33 47 1 0 34 48 1 0 35 49 1 0 36 50 1 0 37 51 1 0 M END > 5159 > 6377-18-0 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 0.0000 2.5000 0.0000 H 0 0 -2.6003 -1.4978 0.0000 N 0 0 -3.8990 -0.7455 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.4994 -0.7433 0.0000 C 0 0 -7.7985 -1.4932 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 -7.7985 -2.9932 0.0000 C 0 0 -5.2004 -2.9933 0.0000 C 0 0 -6.4995 -3.7433 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 -2.3383 1.3500 0.0000 N 0 0 1 16 2 0 1 7 1 0 2 9 1 0 2 16 1 0 2 4 1 0 3 7 2 0 5 8 1 0 5 6 2 0 6 12 1 0 7 8 1 0 8 9 2 0 9 18 1 0 10 11 2 0 10 12 1 0 11 13 1 0 12 14 2 0 13 15 2 0 14 15 1 0 16 17 1 0 M END > 5200 > 3054-70-4 $$$$ SciTegic05042114222D 8 8 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 N 0 0 2.3383 1.3500 0.0000 N 0 0 1 3 2 0 1 2 1 0 1 7 1 0 2 5 2 0 3 4 1 0 3 8 1 0 4 6 2 0 5 6 1 0 M END > 5354 > 95-54-5 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 -2.3947 -1.7666 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -0.2851 -2.9666 0.0000 C 0 0 0.6041 -4.1732 0.0000 C 0 0 0.0028 -5.5474 0.0000 C 0 0 -1.7758 -3.1330 0.0000 C 0 0 -1.4879 -5.7138 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3774 -4.5059 0.0000 C 0 0 -1.9690 -6.8131 0.0000 O 0 0 0.7144 -6.5137 0.0000 C 0 0 1.7967 -4.0399 0.0000 O 0 0 -3.8687 -4.6748 0.0000 C 0 0 -4.3486 -5.7746 0.0000 O 0 0 -4.5815 -3.7094 0.0000 C 0 0 0.9769 -2.1968 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 O 0 0 3.6375 0.9049 0.0000 C 0 0 1 8 1 0 1 12 1 0 2 4 2 0 3 7 2 0 4 5 1 0 4 6 1 0 5 7 1 0 5 23 1 0 6 8 1 0 6 9 1 0 6 22 1 0 7 14 1 0 8 14 2 0 9 12 2 0 9 10 1 0 10 11 2 0 10 18 1 0 11 13 1 0 11 17 1 0 12 15 1 0 13 15 2 0 13 16 1 0 15 19 1 0 19 20 2 0 19 21 1 0 23 24 2 0 23 25 1 0 M END > 5890 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.0392 -3.6000 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -0.2598 -5.8500 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 1 6 2 0 2 15 2 0 3 5 2 0 3 4 1 0 3 18 1 0 4 11 2 0 4 6 1 0 5 10 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 8 17 1 0 9 13 1 0 10 14 2 0 11 14 1 0 11 15 1 0 12 16 1 0 12 15 1 0 13 16 2 0 M END > 7210 > 117-10-2 $$$$ SciTegic05042114222D 17 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 1.2954 5.2529 0.0000 N 0 0 -1.3026 5.2488 0.0000 N 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 0.0000 -2.7000 0.0000 Cl 0 0 -0.0067 7.2009 0.0000 N 0 0 2.3380 3.1546 0.0000 N 0 0 -2.3385 3.1472 0.0000 C 0 0 1 2 1 0 1 4 2 0 2 5 2 0 3 11 1 0 3 6 2 0 3 16 1 0 4 14 1 0 4 8 1 0 5 6 1 0 5 9 1 0 6 10 1 0 7 11 2 0 7 12 1 0 7 15 1 0 8 13 1 0 8 9 2 0 10 12 2 0 10 17 1 0 M END > 7364 > 7761-45-7 $$$$ SciTegic05042114222D 41 46 0 0 1 0 999 V2000 -7.7910 1.4954 0.0000 O 0 0 -6.4975 3.7477 0.0000 O 0 0 -1.2990 1.7500 0.0000 H 0 0 -1.2990 -1.7500 0.0000 H 0 0 5.8482 -3.6989 0.0000 O 0 0 6.1562 -6.0217 0.0000 O 0 0 2.7016 -0.7877 0.0000 H 0 0 5.3654 -5.1191 0.0000 C 0 0 3.8941 -5.4111 0.0000 C 0 0 2.9056 -4.2828 0.0000 C 0 0 3.3884 -2.8627 0.0000 C 0 0 4.8597 -2.5707 0.0000 C 0 0 2.4080 -1.7437 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5981 1.5000 0.0000 C 0 0 1 0 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 3.0000 0.0000 C 0 0 1 0 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -7.7962 2.9954 0.0000 C 0 0 -9.0979 3.7409 0.0000 C 0 0 -10.3943 2.9864 0.0000 C 0 0 -9.0875 0.7409 0.0000 C 0 0 -10.3891 1.4864 0.0000 C 0 0 -11.4262 0.8828 0.0000 O 0 0 -11.4356 3.5828 0.0000 O 0 0 -9.0833 -0.4591 0.0000 C 0 0 -9.1021 4.9408 0.0000 O 0 0 -1.5589 2.1000 0.0000 C 0 0 -0.9717 -2.2042 0.0000 O 0 0 2.3947 -0.2606 0.0000 C 0 0 0.3061 -2.9572 0.0000 C 0 0 1.7979 -3.1140 0.0000 C 0 0 1 28 1 0 1 31 1 0 25 2 1 1 2 28 1 0 18 3 1 6 19 4 1 1 5 8 1 0 5 12 1 0 6 8 2 0 13 7 1 6 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 41 1 0 14 15 1 0 14 17 1 0 14 39 1 1 15 16 1 0 16 18 1 0 17 19 1 0 17 38 1 1 17 40 1 0 18 20 1 0 18 19 1 0 19 23 1 0 20 21 1 0 20 24 1 0 20 37 1 1 21 22 1 0 22 25 1 0 23 26 1 0 24 27 2 0 24 26 1 0 25 27 1 0 28 29 1 0 29 30 1 0 29 36 1 0 30 32 1 0 30 34 1 0 31 32 1 0 31 35 1 0 32 33 1 0 40 41 1 0 M END > 7521 > 466-06-8 $$$$ SciTegic05042114222D 42 47 0 0 1 0 999 V2000 -9.0979 3.7409 0.0000 O 0 0 -6.4975 3.7477 0.0000 O 0 0 -1.2990 1.7500 0.0000 H 0 0 -1.2990 -1.7500 0.0000 H 0 0 5.4592 -4.0880 0.0000 O 0 0 2.7016 -0.7877 0.0000 H 0 0 4.4403 -6.2716 0.0000 O 0 0 4.3310 -5.0765 0.0000 C 0 0 3.0422 -4.3090 0.0000 C 0 0 3.3884 -2.8627 0.0000 C 0 0 4.8677 -2.7096 0.0000 C 0 0 2.4080 -1.7437 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.7979 -3.1140 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.3061 -2.9572 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5981 1.5000 0.0000 C 0 0 1 0 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 2 0 0 0 -5.1962 3.0000 0.0000 C 0 0 1 0 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -7.7962 2.9954 0.0000 C 0 0 -7.7910 1.4954 0.0000 C 0 0 -9.0875 0.7409 0.0000 C 0 0 -10.3943 2.9864 0.0000 C 0 0 -10.3891 1.4864 0.0000 C 0 0 -11.4262 0.8828 0.0000 O 0 0 -9.0792 -0.7599 0.0000 O 0 0 -8.0370 -1.3548 0.0000 C 0 0 -11.4356 3.5828 0.0000 C 0 0 -4.9363 0.1500 0.0000 O 0 0 -2.5981 -0.0008 0.0000 C 0 0 -1.5592 -0.6015 0.0000 O 0 0 -0.9717 -2.2042 0.0000 O 0 0 2.3947 -0.2606 0.0000 C 0 0 1 29 1 0 1 32 1 0 26 2 1 1 2 29 1 0 19 3 1 6 20 4 1 1 5 8 1 0 5 11 1 0 12 6 1 6 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 13 15 1 0 13 18 1 0 13 42 1 1 14 17 1 0 15 16 1 0 16 19 1 0 17 18 1 0 18 20 1 0 18 41 1 1 19 20 1 0 19 21 1 0 20 24 1 0 21 22 1 0 21 25 1 0 21 39 1 1 22 23 1 0 23 26 1 0 24 27 1 0 25 27 1 0 25 28 1 0 25 38 1 1 26 28 1 0 29 30 1 0 30 31 1 0 31 33 1 0 31 35 1 0 32 33 1 0 32 37 1 0 33 34 1 0 35 36 1 0 39 40 2 0 M END > 7522 > 508-77-0 $$$$ SciTegic05042114222D 52 58 0 0 1 0 999 V2000 -12.9839 1.4728 0.0000 O 0 0 -11.6982 3.7296 0.0000 O 0 0 -7.7910 1.4954 0.0000 O 0 0 -6.4975 3.7477 0.0000 O 0 0 -1.2990 1.7500 0.0000 H 0 0 -1.2990 -1.7500 0.0000 H 0 0 5.8482 -3.6989 0.0000 O 0 0 6.1562 -6.0217 0.0000 O 0 0 2.7016 -0.7877 0.0000 H 0 0 5.3654 -5.1191 0.0000 C 0 0 3.8941 -5.4111 0.0000 C 0 0 2.9056 -4.2828 0.0000 C 0 0 3.3884 -2.8627 0.0000 C 0 0 4.8597 -2.5707 0.0000 C 0 0 2.4080 -1.7437 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 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 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 2 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 1 0 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -7.7962 2.9954 0.0000 C 0 0 -9.0979 3.7409 0.0000 C 0 0 -10.3943 2.9864 0.0000 C 0 0 -9.0875 0.7409 0.0000 C 0 0 -10.3891 1.4864 0.0000 C 0 0 -14.2778 0.7139 0.0000 C 0 0 -15.5819 1.4549 0.0000 C 0 0 -15.5923 2.9548 0.0000 C 0 0 -14.2985 3.7138 0.0000 C 0 0 -12.9942 2.9729 0.0000 C 0 0 -16.6170 0.8477 0.0000 O 0 0 -13.2201 -1.3782 0.0000 O 0 0 -14.2643 -0.7869 0.0000 C 0 0 -16.6357 3.5476 0.0000 O 0 0 -11.4262 0.8828 0.0000 O 0 0 -14.3068 4.9138 0.0000 O 0 0 -9.0833 -0.4591 0.0000 C 0 0 -9.1020 4.9409 0.0000 O 0 0 -1.5589 2.1000 0.0000 C 0 0 2.3947 -0.2606 0.0000 C 0 0 -0.9717 -2.2042 0.0000 O 0 0 1 37 1 0 1 41 1 0 2 34 1 0 2 41 1 0 3 32 1 0 3 35 1 0 29 4 1 1 4 32 1 0 22 5 1 6 23 6 1 1 7 10 1 0 7 14 1 0 8 10 2 0 15 9 1 6 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 16 18 1 0 16 21 1 0 16 51 1 1 17 20 1 0 18 19 1 0 19 22 1 0 20 21 1 0 21 23 1 0 21 52 1 1 22 23 1 0 22 24 1 0 23 27 1 0 24 25 1 0 24 28 1 0 24 50 1 1 25 26 1 0 26 29 1 0 27 30 1 0 28 31 2 0 28 30 1 0 29 31 1 0 32 33 1 0 33 34 1 0 33 49 1 0 34 36 1 0 35 36 1 0 35 48 1 0 36 46 1 0 37 38 1 0 37 44 1 0 38 39 1 0 38 42 1 0 39 40 1 0 39 45 1 0 40 41 1 0 40 47 1 0 43 44 1 0 M END > 7525 > 124-99-2 $$$$ SciTegic05042114222D 63 70 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 2 0 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 2 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 -7.0732 -4.8914 0.0000 C 0 0 -6.2823 -6.1453 0.0000 C 0 0 -7.2559 -7.2864 0.0000 C 0 0 -8.6420 -6.7132 0.0000 O 0 0 -8.5252 -5.2177 0.0000 C 0 0 -6.9751 -8.4531 0.0000 O 0 0 -5.3201 -4.1936 0.0000 C 0 0 -5.3202 -0.3064 0.0000 O 0 0 -4.7631 -0.2500 0.0000 H 0 0 -1.7320 -2.0000 0.0000 H 0 0 -2.5988 0.0004 0.0000 C 0 0 -2.5996 1.2004 0.0000 O 0 0 -1.2990 1.9500 0.0000 O 0 0 2.6003 1.4978 0.0000 O 0 0 3.8990 0.7455 0.0000 C 0 0 5.2007 1.4910 0.0000 C 0 0 6.4972 0.7365 0.0000 C 0 0 6.4920 -0.7635 0.0000 C 0 0 5.1904 -1.5090 0.0000 C 0 0 3.8939 -0.7546 0.0000 O 0 0 5.1862 -2.7090 0.0000 C 0 0 7.7980 1.4851 0.0000 O 0 0 7.8004 2.6851 0.0000 C 0 0 7.7876 -1.5211 0.0000 O 0 0 7.7803 -3.0219 0.0000 C 0 0 9.0741 -3.7809 0.0000 C 0 0 9.0637 -5.2809 0.0000 C 0 0 7.7595 -6.0219 0.0000 C 0 0 6.4657 -5.2630 0.0000 C 0 0 6.4760 -3.7630 0.0000 O 0 0 5.1592 -6.0017 0.0000 C 0 0 3.8658 -5.2405 0.0000 O 0 0 2.5594 -5.9792 0.0000 C 0 0 1.2655 -5.2203 0.0000 C 0 0 -0.0387 -5.9613 0.0000 C 0 0 -0.0491 -7.4612 0.0000 C 0 0 1.2447 -8.2202 0.0000 C 0 0 2.5489 -7.4792 0.0000 O 0 0 1.2374 -9.7210 0.0000 C 0 0 2.2733 -10.3267 0.0000 O 0 0 10.1174 -3.1882 0.0000 O 0 0 1.2738 -4.0203 0.0000 O 0 0 -1.0925 -8.0540 0.0000 O 0 0 -1.0738 -5.3541 0.0000 O 0 0 7.7512 -7.2219 0.0000 O 0 0 10.0988 -5.8881 0.0000 O 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 31 1 1 3 4 1 0 4 5 1 0 4 7 1 0 4 30 1 1 5 6 1 0 5 10 1 0 5 28 1 1 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 26 1 1 10 14 1 0 10 27 1 6 11 12 1 0 11 15 1 0 11 25 1 1 12 13 1 0 12 17 1 0 12 24 1 1 13 14 1 0 15 16 1 0 16 17 1 0 17 18 1 1 18 19 2 0 18 22 1 0 19 20 1 0 20 21 1 0 20 23 2 0 21 22 1 0 28 29 2 0 31 32 1 0 32 33 1 0 32 37 1 0 33 34 1 0 34 35 1 0 34 39 1 0 35 36 1 0 35 41 1 0 36 37 1 0 36 38 1 0 39 40 1 0 41 42 1 0 42 43 1 0 42 47 1 0 43 44 1 0 43 58 1 0 44 45 1 0 44 63 1 0 45 46 1 0 45 62 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 55 1 0 51 52 1 0 51 59 1 0 52 53 1 0 52 61 1 0 53 54 1 0 53 60 1 0 54 55 1 0 54 56 1 0 56 57 1 0 M END > 7530 > 33279-57-1 $$$$ SciTegic05042114222D 75 83 0 0 0 0 999 V2000 21.7851 -1.0134 0.0000 O 0 0 21.7851 -0.0134 0.0000 C 0 0 20.9191 -0.5134 0.0000 C 0 0 21.7851 0.9866 0.0000 C 0 0 22.7313 -0.3181 0.0000 C 0 0 20.0531 -0.0134 0.0000 C 0 0 20.9352 -1.5549 0.0000 C 0 0 21.7851 1.9866 0.0000 C 0 0 22.7313 1.2914 0.0000 C 0 0 20.9191 1.4866 0.0000 C 0 0 23.3150 0.4866 0.0000 C 0 0 19.1431 -0.5202 0.0000 C 0 0 20.0531 0.9866 0.0000 C 0 0 20.0371 -2.0826 0.0000 C 0 0 23.0420 2.2419 0.0000 C 0 0 19.1508 0.4797 0.0000 C 0 0 19.1350 -1.5618 0.0000 C 0 0 18.2162 0.0439 0.0000 C 0 0 22.4556 3.0519 0.0000 C 0 0 23.9936 2.5492 0.0000 C 0 0 18.1996 -2.1116 0.0000 C 0 0 17.2684 -0.4841 0.0000 C 0 0 23.0448 3.8599 0.0000 O 0 0 23.9953 3.5492 0.0000 C 0 0 17.2600 -1.5691 0.0000 C 0 0 24.8054 4.1356 0.0000 O 0 0 16.3920 -2.0657 0.0000 O 0 0 15.5279 -1.5624 0.0000 C 0 0 14.6600 -2.0590 0.0000 C 0 0 15.5318 -0.5624 0.0000 O 0 0 13.7959 -1.5557 0.0000 C 0 0 14.6677 -0.0591 0.0000 C 0 0 12.9280 -2.0524 0.0000 O 0 0 13.7998 -0.5557 0.0000 C 0 0 14.6716 0.9409 0.0000 C 0 0 12.9357 -0.0524 0.0000 O 0 0 12.0677 -0.5490 0.0000 C 0 0 12.0639 -1.5490 0.0000 C 0 0 11.2036 -0.0457 0.0000 O 0 0 11.1959 -2.0457 0.0000 C 0 0 10.3357 -0.5424 0.0000 C 0 0 11.1921 -3.0457 0.0000 O 0 0 10.3318 -1.5423 0.0000 C 0 0 9.4716 -0.0390 0.0000 C 0 0 9.4639 -2.0390 0.0000 O 0 0 8.5998 -1.5357 0.0000 C 0 0 7.7319 -2.0323 0.0000 C 0 0 8.6037 -0.5357 0.0000 O 0 0 6.8678 -1.5290 0.0000 C 0 0 7.7396 -0.0323 0.0000 C 0 0 5.9998 -2.0257 0.0000 O 0 0 6.8716 -0.5290 0.0000 C 0 0 7.7434 0.9676 0.0000 C 0 0 5.9960 -3.0256 0.0000 C 0 0 6.0075 -0.0257 0.0000 O 0 0 6.8600 -3.5290 0.0000 C 0 0 5.1280 -3.5223 0.0000 O 0 0 5.1396 -0.5223 0.0000 C 0 0 5.1357 -1.5223 0.0000 O 0 0 4.2755 -0.0190 0.0000 C 0 0 4.2678 -2.0190 0.0000 C 0 0 4.2793 0.9810 0.0000 O 0 0 3.4075 -0.5157 0.0000 C 0 0 4.2639 -3.0190 0.0000 C 0 0 3.4037 -1.5156 0.0000 C 0 0 2.5434 -0.0123 0.0000 O 0 0 3.3960 -3.5156 0.0000 O 0 0 2.5357 -2.0123 0.0000 O 0 0 22.3221 -1.3234 0.0000 H 0 0 12.9256 -2.6724 0.0000 H 0 0 10.6539 -3.3536 0.0000 H 0 0 3.7436 1.2931 0.0000 H 0 0 2.0053 -0.3202 0.0000 H 0 0 3.3936 -4.1356 0.0000 H 0 0 2.0000 -1.7002 0.0000 H 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 1 0 4 8 1 0 4 9 1 0 4 10 1 0 5 11 1 0 6 12 1 0 6 13 1 0 7 14 1 0 9 15 1 0 12 16 1 0 12 17 1 0 12 18 1 0 15 19 1 0 15 20 2 0 17 21 1 0 18 22 1 0 19 23 1 0 20 24 1 0 21 25 1 0 24 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 29 31 1 0 30 32 1 0 31 33 1 0 31 34 1 0 32 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 38 40 1 0 39 41 1 0 40 42 1 0 40 43 1 0 41 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 47 49 1 0 48 50 1 0 49 51 1 0 49 52 1 0 50 53 1 0 51 54 1 0 52 55 1 0 54 56 1 0 54 57 2 0 55 58 1 0 58 59 1 0 58 60 1 0 59 61 1 0 60 62 1 0 60 63 1 0 61 64 1 0 61 65 1 0 63 66 1 0 64 67 1 0 65 68 1 0 9 11 1 0 10 13 1 0 14 17 1 0 22 25 1 0 23 24 1 0 32 34 1 0 41 43 1 0 50 52 1 0 63 65 1 0 1 69 1 0 33 70 1 0 42 71 1 0 62 72 1 0 66 73 1 0 67 74 1 0 68 75 1 0 M END > 7532 > 17575-20-1 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 2.3383 -1.3500 0.0000 N 0 0 -2.3383 1.3500 0.0000 N 0 0 1 4 2 0 1 5 1 0 1 17 1 0 2 15 2 0 2 5 1 0 2 6 1 0 3 7 2 0 3 6 1 0 4 8 1 0 5 9 2 0 6 10 2 0 7 11 1 0 8 12 2 0 9 12 1 0 9 13 1 0 10 13 1 0 10 14 1 0 11 14 2 0 12 18 1 0 13 16 2 0 M END > 7833 > 128-95-0 $$$$ SciTegic05042114222D 15 18 0 0 0 0 999 V2000 2.5987 1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -3.0008 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.2716 2.7526 0.0000 C 0 0 -4.0195 1.4524 0.0000 C 0 0 4.0196 1.4570 0.0000 C 0 0 3.2676 2.7548 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.7481 -4.2096 0.0000 C 0 0 0.7519 -4.2072 0.0000 C 0 0 1 9 1 0 1 10 1 0 1 12 1 0 2 12 2 0 2 13 1 0 3 11 2 0 3 12 1 0 4 13 1 0 4 14 1 0 4 15 1 0 5 13 2 0 5 11 1 0 6 7 1 0 6 8 1 0 6 11 1 0 7 8 1 0 9 10 1 0 14 15 1 0 M END > 9706 > 51-18-3 $$$$ SciTegic05042114222D 22 21 0 0 0 0 999 V2000 10.3999 -1.0000 0.0000 H 0 0 10.3999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 C 0 0 12.5656 0.2495 0.0000 H 0 0 9.0999 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 C 0 0 11.7013 2.2508 0.0000 C 0 0 13.0013 3.0008 0.0000 C 0 0 13.0028 4.5016 0.0000 C 0 0 14.3027 5.2516 0.0000 C 0 0 14.3042 6.7525 0.0000 C 0 0 15.6042 7.5025 0.0000 C 0 0 15.6056 9.0033 0.0000 C 0 0 16.9056 9.7533 0.0000 C 0 0 16.9067 10.9533 0.0000 O 0 0 17.9444 9.1526 0.0000 O 0 0 1 2 1 0 2 3 2 0 2 5 1 0 3 4 1 0 3 13 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M END > 9856 > 112-80-1 $$$$ SciTegic05042114222D 37 40 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -9.0651 17.2735 0.0000 N 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -9.0755 14.2734 0.0000 C 0 0 -7.7739 15.0190 0.0000 C 0 0 -10.3719 15.0280 0.0000 C 0 0 -11.6736 14.2825 0.0000 C 0 0 -12.9700 15.0370 0.0000 C 0 0 -7.7687 16.5190 0.0000 C 0 0 -10.3668 16.5280 0.0000 C 0 0 -12.9648 16.5369 0.0000 C 0 0 -11.6632 17.2825 0.0000 C 0 0 -3.8994 -3.7478 0.0000 O 0 0 -4.9377 -3.1463 0.0000 C 0 0 -14.2739 14.2937 0.0000 O 0 0 -15.3102 14.8988 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 -6.7274 17.1154 0.0000 C 0 0 -7.7794 12.0195 0.0000 C 0 0 -7.7816 10.5187 0.0000 C 0 0 -6.4834 9.7656 0.0000 C 0 0 -6.4855 8.2648 0.0000 C 0 0 -5.1873 7.5117 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -9.0776 12.7726 0.0000 N 0 0 -2.5973 1.5031 0.0000 N 0 0 1 9 2 0 1 5 1 0 2 17 2 0 2 18 1 0 3 4 2 0 3 5 1 0 4 7 1 0 5 6 2 0 6 8 1 0 6 11 1 0 7 11 2 0 7 21 1 0 8 10 2 0 8 37 1 0 9 10 1 0 9 25 1 0 12 13 2 0 12 14 1 0 12 36 1 0 13 17 1 0 14 18 2 0 14 15 1 0 15 16 2 0 16 19 1 0 16 23 1 0 17 26 1 0 18 20 1 0 19 20 2 0 21 22 1 0 23 24 1 0 27 28 1 0 27 36 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 37 1 0 M END > 10010 > 6286-09-5 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 1.0392 -3.6000 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 1 6 2 0 2 15 2 0 3 4 2 0 3 5 1 0 3 18 1 0 4 10 1 0 4 19 1 0 5 11 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 13 1 0 10 14 2 0 11 14 1 0 11 15 1 0 12 15 1 0 12 16 1 0 13 16 2 0 14 17 1 0 M END > 10447 > 81-54-9 $$$$ SciTegic05042114222D 12 12 0 0 0 0 999 V2000 -0.7500 -0.4330 0.0000 C 0 0 0.7500 -0.4330 0.0000 C 0 0 0.0000 0.8660 0.0000 C 0 0 -0.0032 2.3561 0.0000 C 0 0 -1.0434 2.9545 0.0000 O 0 0 -3.3407 -0.4229 0.0000 C 0 0 0.7641 -1.6329 0.0000 C 0 0 1.7964 0.1545 0.0000 C 0 0 -2.0420 -1.1753 0.0000 C 0 0 1.0349 2.9580 0.0000 O 0 0 -4.3812 -1.0207 0.0000 C 0 0 -3.3385 0.7771 0.0000 C 0 0 1 2 1 0 1 3 1 0 1 9 1 0 2 3 1 0 2 7 1 0 2 8 1 0 3 4 1 0 4 5 2 0 4 10 1 0 6 9 2 0 6 11 1 0 6 12 1 0 M END > 11779 > 10453-89-1 $$$$ SciTegic05042114222D 14 15 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 1 3 2 0 2 11 2 0 3 4 1 0 3 5 1 0 4 8 2 0 4 13 1 0 5 9 2 0 5 6 1 0 6 7 2 0 7 10 1 0 8 11 1 0 8 14 1 0 9 12 1 0 9 11 1 0 10 12 2 0 M END > 11897 > 483-55-6 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 3.8916 4.9570 0.0000 C 0 0 4.9336 3.1588 0.0000 C 0 0 1 3 2 0 2 11 2 0 3 4 1 0 3 5 1 0 4 8 2 0 4 13 1 0 5 9 2 0 5 6 1 0 6 7 2 0 7 10 1 0 8 11 1 0 8 15 1 0 9 12 1 0 9 11 1 0 10 12 2 0 13 14 1 0 14 16 2 0 16 17 1 0 16 18 1 0 M END > 11905 > 84-79-7 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 2.7248 1.2135 0.0000 O 0 0 2.7248 -1.2135 0.0000 O 0 0 3.6065 0.0000 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -2.5973 6.0031 0.0000 O 0 0 -2.5956 7.2031 0.0000 C 0 0 -3.8994 0.7522 0.0000 N 0 3 -3.9015 -0.4478 0.0000 O 0 5 -4.9378 1.3537 0.0000 O 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 -3.6375 -0.9049 0.0000 O 0 0 1 3 1 0 1 5 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 5 8 1 0 6 7 2 0 7 9 1 0 7 23 1 0 8 9 2 0 8 10 1 0 9 13 1 0 10 14 2 0 10 11 1 0 11 12 2 0 12 15 1 0 13 16 2 0 13 20 1 0 14 17 1 0 14 16 1 0 15 17 2 0 17 18 1 0 18 19 1 0 20 21 1 0 20 22 2 0 23 24 2 0 23 25 1 0 M CHG 2 20 1 21 -1 M END > 11926 > 313-67-7 $$$$ SciTegic05042114222D 20 21 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 I 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8912 -5.2578 0.0000 N 0 0 4.9292 -5.8600 0.0000 C 0 0 2.8509 -5.8560 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 1 7 1 0 2 4 2 0 2 3 1 0 2 14 1 0 3 6 2 0 4 5 1 0 4 20 1 0 5 7 2 0 6 7 1 0 8 10 2 0 8 9 1 0 9 12 2 0 9 20 1 0 10 11 1 0 11 13 2 0 12 13 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 M END > 11930 > 6329-82-4 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 2.7000 0.0000 Br 0 0 3.8990 0.7525 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 1 8 2 0 1 14 1 0 2 9 1 0 3 4 2 0 3 5 1 0 4 6 1 0 5 7 2 0 5 8 1 0 6 10 2 0 7 10 1 0 8 9 1 0 9 11 2 0 11 12 1 0 11 18 1 0 12 14 2 0 12 17 1 0 13 15 2 0 13 14 1 0 15 16 1 0 16 17 2 0 M END > 12825 > 6639-96-9 $$$$ SciTegic05042114222D 17 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 3.9040 1.5957 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.4133 1.7530 0.0000 C 0 0 4.7856 2.8092 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.8032 3.1233 0.0000 C 0 0 4.1755 4.1795 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.6837 4.3363 0.0000 C 0 0 0.6992 4.1021 0.0000 O 0 0 0.3114 2.9665 0.0000 S 0 0 -0.8585 2.6995 0.0000 O 0 0 4.8808 5.1504 0.0000 N 0 0 -2.3383 -1.3500 0.0000 N 0 0 1 4 2 0 1 3 1 0 2 6 2 0 2 5 1 0 3 7 2 0 4 5 1 0 4 8 1 0 5 9 2 0 6 10 1 0 7 11 1 0 7 17 1 0 8 11 2 0 8 14 1 0 9 14 1 0 9 12 1 0 10 12 2 0 10 16 1 0 13 14 2 0 14 15 2 0 M END > 13966 > 6259-19-4 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 -4.9363 -5.8500 0.0000 N 0 0 -2.5981 -7.2000 0.0000 C 0 0 0.0000 2.7000 0.0000 N 0 0 2.3383 1.3500 0.0000 C 0 0 1 4 2 0 1 5 1 0 2 6 2 0 2 5 1 0 3 7 2 0 3 6 1 0 4 8 1 0 4 18 1 0 5 9 2 0 6 10 1 0 7 11 1 0 7 16 1 0 8 12 2 0 8 17 1 0 9 12 1 0 9 14 1 0 10 14 2 0 10 13 1 0 11 13 2 0 11 15 1 0 M END > 13973 > 135-49-9 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 3.6373 3.6000 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 -3.8963 -3.7531 0.0000 O 0 0 -3.8946 -4.9531 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -3.8969 -0.4545 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -7.8003 1.4887 0.0000 C 0 0 -9.0990 0.7364 0.0000 N 0 0 -10.4003 1.4841 0.0000 C 0 0 -11.4386 0.8826 0.0000 C 0 0 -9.0994 -0.7644 0.0000 C 0 0 -10.1385 -1.3648 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 1 13 1 0 2 12 2 0 2 11 1 0 3 7 2 0 3 4 1 0 3 28 1 0 4 11 2 0 4 5 1 0 5 6 2 0 6 10 1 0 6 16 1 0 7 8 1 0 7 12 1 0 8 9 2 0 9 13 1 0 10 14 2 0 11 14 1 0 12 15 1 0 13 15 2 0 16 17 1 0 18 19 1 0 18 28 1 0 18 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 26 1 0 24 25 1 0 26 27 1 0 M END > 14229 > 69-05-6 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 S 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2982 3.7531 0.0000 N 0 0 -1.2961 5.2539 0.0000 C 0 0 -2.5943 6.0070 0.0000 C 0 0 -2.5922 7.5078 0.0000 N 0 0 -3.8904 8.2609 0.0000 C 0 0 -3.8887 9.4609 0.0000 C 0 0 -1.2927 8.2586 0.0000 C 0 0 -1.2923 9.4586 0.0000 C 0 0 3.6373 0.9000 0.0000 C 0 0 1 6 2 0 2 11 1 0 2 12 1 0 3 4 2 0 3 5 1 0 3 16 1 0 4 10 1 0 5 11 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 13 1 0 10 14 2 0 11 14 1 0 12 15 1 0 13 15 2 0 14 24 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 22 1 0 20 21 1 0 22 23 1 0 M END > 14574 > 548-57-2 $$$$ SciTegic05042114222D 28 32 0 0 0 0 999 V2000 -1.0500 3.5300 0.0000 O 0 0 0.8600 -2.8900 0.0000 O 0 0 3.1342 -2.6733 0.0000 O 0 0 -0.3600 2.7800 0.0000 C 0 0 -1.5800 1.9800 0.0000 C 0 0 0.8600 1.9800 0.0000 C 0 0 0.8600 0.3900 0.0000 C 0 0 -1.5800 0.3900 0.0000 C 0 0 2.0800 -0.3900 0.0000 C 0 0 -0.3600 -0.3900 0.0000 C 0 0 0.2500 1.6000 0.0000 C 0 0 -2.8200 -0.3900 0.0000 C 0 0 -4.0400 0.3900 0.0000 C 0 0 -5.2800 -0.3900 0.0000 C 0 0 2.0800 -2.1000 0.0000 C 0 0 -0.3600 -2.1000 0.0000 C 0 0 -2.8200 -2.1000 0.0000 C 0 0 -5.2800 -2.1000 0.0000 C 0 0 -1.5800 -2.8900 0.0000 C 0 0 -4.0400 -2.8900 0.0000 C 0 0 -6.3304 0.1902 0.0000 O 0 0 -4.0356 1.5900 0.0000 O 0 0 -4.0356 -4.0900 0.0000 C 0 0 -2.8156 0.8100 0.0000 C 0 0 -0.8443 2.9280 0.0000 O 0 0 -0.3600 3.9800 0.0000 O 0 0 1.9158 2.5502 0.0000 C 0 0 3.1325 0.1863 0.0000 O 0 0 1 5 1 0 1 11 1 0 2 15 1 0 2 16 1 0 3 15 2 0 4 5 1 0 4 6 1 0 4 26 1 0 5 8 1 0 5 25 1 0 6 7 1 0 6 27 1 0 7 9 1 0 7 10 1 0 8 10 1 0 8 12 1 0 9 15 1 0 9 28 1 0 10 11 1 0 10 16 1 0 12 13 1 0 12 17 1 0 12 24 1 0 13 14 1 0 13 22 1 0 14 18 1 0 14 21 1 0 16 19 1 0 17 19 1 0 17 20 1 0 18 20 2 0 20 23 1 0 M END > 14974 > 1448-22-2 $$$$ SciTegic05042114222D 39 43 0 0 1 0 999 V2000 -2.8163 -3.1000 0.0000 H 0 0 -2.4553 0.8735 0.0000 H 0 0 -0.3600 -3.1000 0.0000 H 0 0 -1.0500 3.5300 0.0000 O 0 0 1.7371 0.8703 0.0000 H 0 0 0.8600 -2.8900 0.0000 O 0 0 3.1342 -2.6733 0.0000 O 0 0 3.3623 0.3894 0.0000 O 0 0 4.6798 -0.3293 0.0000 C 0 0 4.7085 -1.5290 0.0000 O 0 0 5.9615 0.4515 0.0000 C 0 0 2 0 0 0 -0.3600 2.7800 0.0000 C 0 0 1 0 0 0 -1.5800 1.9800 0.0000 C 0 0 1 0 0 0 0.8600 1.9800 0.0000 C 0 0 1 0 0 0 0.8600 0.3900 0.0000 C 0 0 1 0 0 0 -1.5800 0.3900 0.0000 C 0 0 1 0 0 0 -0.3600 -0.3900 0.0000 C 0 0 2 0 0 0 0.2500 1.6000 0.0000 C 0 0 2.0800 -0.3900 0.0000 C 0 0 2 0 0 0 -2.8200 -0.3900 0.0000 C 0 0 1 0 0 0 -4.0400 0.3900 0.0000 C 0 0 1 0 0 0 -5.2800 -0.3900 0.0000 C 0 0 2 0 0 0 2.0800 -2.1000 0.0000 C 0 0 -0.3600 -2.1000 0.0000 C 0 0 1 0 0 0 -2.8200 -2.1000 0.0000 C 0 0 1 0 0 0 -5.2800 -2.1000 0.0000 C 0 0 -1.5800 -2.8900 0.0000 C 0 0 -4.0400 -2.8900 0.0000 C 0 0 -6.3304 0.1902 0.0000 O 0 0 -4.0356 1.5900 0.0000 O 0 0 -4.0356 -4.0900 0.0000 C 0 0 -0.8443 2.9280 0.0000 O 0 0 -2.8156 0.8100 0.0000 C 0 0 -0.3600 3.9800 0.0000 O 0 0 1.9158 2.5502 0.0000 C 0 0 6.9860 1.0763 0.0000 O 0 0 5.9329 1.6512 0.0000 C 0 0 7.2791 -0.2672 0.0000 C 0 0 8.3039 0.3571 0.0000 C 0 0 25 1 1 6 16 2 1 6 24 3 1 1 13 4 1 0 4 18 1 0 15 5 1 1 6 23 1 0 6 24 1 0 7 23 2 0 8 9 1 0 19 8 1 1 9 11 1 0 9 10 2 0 11 36 1 1 11 37 1 0 11 38 1 0 12 13 1 0 12 14 1 0 12 34 1 6 13 16 1 0 13 32 1 6 14 15 1 0 14 35 1 6 15 17 1 0 15 19 1 0 16 17 1 0 16 20 1 0 17 18 1 1 17 24 1 0 19 23 1 0 20 21 1 0 20 25 1 0 20 33 1 1 21 22 1 0 21 30 1 1 22 26 1 0 22 29 1 6 24 27 1 0 25 28 1 0 25 27 1 0 26 28 2 0 28 31 1 0 38 39 1 0 M END > 14975 > 1448-23-3 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 15200 > 13494-90-1 $$$$ SciTegic05042114222D 23 24 0 0 0 0 999 V2000 -0.8424 0.1079 0.0000 O 0 0 -0.8424 -1.0880 0.0000 O 0 0 -0.4074 -0.4899 0.0000 Sb 0 0 0.9984 -0.5630 0.0000 C 0 0 0.3584 -0.9330 0.0000 C 0 0 1.6384 -0.9330 0.0000 C 0 0 1.6384 -1.6720 0.0000 C 0 0 0.3584 -1.6720 0.0000 C 0 0 0.9984 -2.0420 0.0000 C 0 0 -1.2555 0.5919 0.0000 C 0 0 -0.5224 0.6932 0.0000 O 0 0 -1.8355 1.3319 0.0000 C 0 0 -2.5681 1.2278 0.0000 O 0 0 -1.5455 -0.1210 0.0000 C 0 0 -1.5455 -0.8599 0.0000 C 0 0 -1.5455 2.0720 0.0000 C 0 0 -0.8138 2.1826 0.0000 O 0 0 -2.0071 2.6503 0.0000 O 0 5 -1.5455 -1.6799 0.0000 C 0 0 -2.1863 -2.0499 0.0000 O 0 0 -0.4074 0.1099 0.0000 O 0 0 0.3454 -0.0549 0.0000 O 0 0 2.2855 -2.0449 0.0000 C 0 0 1 3 1 0 1 14 1 0 2 3 1 0 2 15 1 0 3 5 1 0 3 21 1 0 3 22 1 0 4 6 2 0 4 5 1 0 5 8 2 0 6 7 1 0 7 9 2 0 7 23 1 0 8 9 1 0 10 11 1 0 10 12 1 0 10 14 1 0 12 13 1 0 12 16 1 0 14 15 1 0 15 19 1 0 16 17 2 0 16 18 1 0 19 20 1 0 M CHG 1 18 -1 M END > 15623 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 18268 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 18298 $$$$ SciTegic05042114222D 12 12 0 0 0 0 999 V2000 1.2707 -2.6386 0.0000 O 0 0 1.6852 -0.3846 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 2.8552 -0.6517 0.0000 O 0 0 -0.0031 3.2314 0.0000 C 0 0 -1.0432 3.8299 0.0000 C 0 0 1.0351 3.8332 0.0000 C 0 0 1 3 2 0 2 4 2 0 2 3 1 0 2 9 1 0 3 6 1 0 4 5 1 0 5 7 2 0 5 10 1 0 6 8 2 0 7 8 1 0 10 11 1 0 10 12 1 0 M END > 18804 > 499-44-5 $$$$ SciTegic05042114222D 12 12 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 2.2896 1.8259 0.0000 O 0 0 -1.6852 -0.3847 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 0.0000 2.9286 0.0000 O 0 0 -1.4048 -2.9100 0.0000 C 0 0 -2.6016 -2.9980 0.0000 C 0 0 -0.7305 -3.9027 0.0000 C 0 0 1 4 1 0 1 2 2 0 2 3 1 0 3 6 2 0 3 10 1 0 4 5 2 0 4 7 1 0 6 8 1 0 7 8 2 0 7 9 1 0 10 11 1 0 10 12 1 0 M END > 18805 > 672-76-4 $$$$ SciTegic05042114222D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 S 0 0 5.1961 1.5000 0.0000 C 0 0 3.8971 0.7500 0.0000 C 0 0 5.1961 3.0000 0.0000 C 0 0 3.8971 3.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8912 -5.2578 0.0000 N 0 0 4.9292 -5.8600 0.0000 C 0 0 2.8509 -5.8560 0.0000 C 0 0 1 9 1 0 1 15 1 0 1 19 1 0 2 11 1 0 2 16 1 0 3 4 2 0 3 5 1 0 4 7 1 0 5 6 2 0 6 8 1 0 7 8 2 0 7 9 1 0 8 10 1 0 9 11 2 0 10 12 2 0 11 12 1 0 13 14 2 0 13 15 1 0 14 17 1 0 15 16 2 0 16 18 1 0 17 18 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 M END > 18891 > 5453-77-0 $$$$ SciTegic05042114222D 17 16 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 1.3000 1.9500 0.0000 O 0 0 0.2606 0.1503 0.0000 O 0 0 2.6000 0.0000 0.0000 C 0 0 2.6000 -1.2000 0.0000 O 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 C 0 0 12.9999 0.0000 0.0000 C 0 0 14.2999 0.7500 0.0000 C 0 0 15.5999 0.0000 0.0000 C 0 0 16.8999 0.7500 0.0000 C 0 0 17.9393 0.1503 0.0000 C 0 0 1 2 1 0 1 3 2 0 1 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 M END > 18938 > 2507-55-3 $$$$ SciTegic05042114222D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.9027 5.2517 0.0000 C 0 0 -5.2032 5.9990 0.0000 C 0 0 -3.8995 3.7516 0.0000 C 0 0 -6.5007 5.2464 0.0000 C 0 0 -5.1971 2.9990 0.0000 C 0 0 -6.4977 3.7464 0.0000 C 0 0 -3.8978 -0.7504 0.0000 C 0 0 -3.8982 0.7496 0.0000 C 0 0 -5.1966 -1.5008 0.0000 C 0 0 -5.1975 1.4992 0.0000 C 0 0 -6.4958 -0.7512 0.0000 C 0 0 -6.4963 0.7488 0.0000 C 0 0 -7.7969 -1.4994 0.0000 O 0 0 -9.0958 -0.7475 0.0000 C 0 0 -10.3969 -1.4957 0.0000 C 0 0 -11.6958 -0.7438 0.0000 N 0 0 -12.9969 -1.4920 0.0000 C 0 0 -14.0354 -0.8908 0.0000 C 0 0 -11.6968 0.7570 0.0000 C 0 0 -12.7360 1.3570 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 -1.5598 2.1007 0.0000 O 0 0 -2.5998 3.0012 0.0000 C 0 0 -7.8036 5.9914 0.0000 O 0 0 -8.8407 5.3878 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 5 2 0 3 4 1 0 4 6 2 0 5 6 1 0 6 27 1 0 7 8 2 0 7 9 1 0 8 10 1 0 9 11 2 0 9 29 1 0 10 12 2 0 10 30 1 0 11 12 1 0 13 15 2 0 13 14 1 0 14 16 2 0 14 27 1 0 15 17 1 0 16 18 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 25 1 0 23 24 1 0 25 26 1 0 27 28 1 0 27 29 1 0 30 31 1 0 M END > 19857 > 67-98-1 $$$$ SciTegic05042114222D 56 59 0 0 0 0 999 V2000 -0.2295 -2.4660 0.0000 O 0 0 0.3704 -0.7260 0.0000 N 0 0 0.3704 -1.1170 0.0000 H 0 0 2.9104 -1.4660 0.0000 O 0 0 3.5404 1.8639 0.0000 O 0 0 4.1774 0.7609 0.0000 O 0 0 -1.5295 1.8639 0.0000 C 0 0 -0.8895 1.4639 0.0000 C 0 0 2.2704 1.8639 0.0000 C 0 0 2.9034 1.4959 0.0000 C 0 0 1.6404 1.4939 0.0000 C 0 0 1.0104 1.8639 0.0000 C 0 0 0.3704 1.4639 0.0000 C 0 0 -0.2595 1.8639 0.0000 C 0 0 -2.1595 1.4639 0.0000 C 0 0 2.9034 0.7609 0.0000 C 0 0 -3.4295 1.4639 0.0000 C 0 0 -3.4295 0.7539 0.0000 C 0 0 3.5404 0.3929 0.0000 C 0 0 2.2734 0.3859 0.0000 C 0 0 1.6364 0.7539 0.0000 C 0 0 1.0004 0.3859 0.0000 C 0 0 -2.7895 0.3639 0.0000 C 0 0 3.5474 -0.3490 0.0000 C 0 0 2.2734 -0.3490 0.0000 C 0 0 1.0004 -0.3490 0.0000 C 0 0 -2.7895 -0.3560 0.0000 C 0 0 2.9104 -0.7170 0.0000 C 0 0 1.6364 -0.7170 0.0000 C 0 0 -2.1595 -0.7260 0.0000 C 0 0 -0.2295 -0.3560 0.0000 C 0 0 -0.8895 -0.7460 0.0000 C 0 0 -1.5295 -0.3560 0.0000 C 0 0 4.1774 1.4959 0.0000 C 0 0 -4.0625 0.3889 0.0000 O 0 0 -4.1795 2.2139 0.0000 C 0 0 -3.7385 -0.1840 0.0000 C 0 0 -2.3445 2.1549 0.0000 O 0 0 -3.5843 3.7400 0.0000 C 0 0 -3.1674 3.1286 0.0000 O 0 0 -2.4295 3.1839 0.0000 C 0 0 -2.1085 3.8507 0.0000 O 0 0 -0.8895 2.1239 0.0000 O 0 0 -0.8895 -1.4660 0.0000 C 0 0 -0.2595 2.4939 0.0000 C 0 0 0.3704 1.9439 0.0000 O 0 0 0.8364 2.5149 0.0000 O 0 0 1.3574 2.4649 0.0000 C 0 0 1.6364 -1.4660 0.0000 O 0 0 1.9674 -3.2239 0.0000 C 0 0 2.2704 2.4939 0.0000 C 0 0 3.1394 -1.8480 0.0000 O 0 0 3.8794 -1.8478 0.0000 C 0 0 4.2495 -2.4886 0.0000 O 0 0 4.2492 -1.2069 0.0000 C 0 0 4.2464 -0.7530 0.0000 C 0 0 1 31 2 0 2 26 1 0 2 31 1 0 2 3 1 0 4 28 2 0 5 10 1 0 5 34 1 0 6 19 1 0 6 34 1 0 7 8 1 0 7 15 1 0 7 41 1 0 8 14 1 0 8 43 1 0 9 11 2 0 9 10 1 0 9 51 1 0 10 16 2 0 11 12 1 0 12 13 1 0 12 47 1 0 12 48 1 0 13 14 1 0 13 46 1 0 14 45 1 0 15 17 1 0 15 38 1 0 16 19 1 0 16 20 1 0 17 18 1 0 17 36 1 0 18 23 1 0 18 35 1 0 19 24 2 0 20 25 2 0 20 21 1 0 21 22 2 0 21 52 1 0 22 26 1 0 22 50 1 0 23 27 1 0 23 37 1 0 24 28 1 0 24 56 1 0 25 28 1 0 25 29 1 0 26 29 2 0 27 30 2 0 29 49 1 0 30 33 1 0 31 32 1 0 32 33 2 0 32 44 1 0 39 40 1 0 40 41 1 0 41 42 2 0 52 53 1 0 53 54 2 0 53 55 1 0 M END > 19990 > 23344-17-4 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.8032 3.1233 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -0.6929 4.0817 0.0000 C 0 0 -1.4855 6.3514 0.0000 C 0 0 -2.1742 4.0241 0.0000 C 0 0 -2.6753 5.4380 0.0000 C 0 0 0.0000 -2.5000 0.0000 H 0 0 0.0000 -1.5000 0.0000 N 0 0 2.3383 -1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 N 0 0 -0.2491 5.5022 0.0000 O 0 0 2.4133 1.7530 0.0000 N 0 0 0.3114 2.9665 0.0000 N 0 0 -2.3383 -1.3500 0.0000 N 0 0 -0.4982 8.4750 0.0000 O 0 0 -1.5221 7.8492 0.0000 C 0 0 -3.8260 5.7785 0.0000 O 0 0 -2.8475 3.0308 0.0000 O 0 0 1 12 2 0 1 3 1 0 1 11 1 0 2 15 2 0 2 16 1 0 3 15 1 0 3 4 2 0 4 16 1 0 4 13 1 0 5 11 1 0 5 13 2 0 5 17 1 0 6 8 1 0 6 14 1 0 6 16 1 0 7 9 1 0 7 14 1 0 7 19 1 0 8 9 1 0 8 21 1 0 9 20 1 0 10 11 1 0 18 19 1 0 M END > 19994 > 118-00-3 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 -5.2063 -7.4904 0.0000 N 0 0 -2.6029 -5.9994 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.6082 -7.4994 0.0000 C 0 0 -3.9098 -8.2449 0.0000 C 0 0 -3.8995 -5.2449 0.0000 C 0 0 -5.2011 -5.9904 0.0000 C 0 0 -6.2476 -8.0868 0.0000 C 0 0 -10.1377 -1.3628 0.0000 C 0 0 -9.0993 -0.7613 0.0000 C 0 0 -7.7980 -1.5091 0.0000 C 0 0 -6.4994 -0.7568 0.0000 C 0 0 -5.1981 -1.5045 0.0000 O 0 0 -3.8994 -0.7523 0.0000 C 0 0 -1.3021 -5.2508 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 1 14 1 0 1 16 1 0 1 17 1 0 2 13 1 0 2 15 1 0 2 24 1 0 3 10 2 0 3 5 1 0 4 6 2 0 4 5 1 0 4 25 1 0 5 7 2 0 6 8 1 0 6 24 1 0 7 9 1 0 7 12 1 0 8 12 2 0 9 11 2 0 10 11 1 0 12 23 1 0 13 14 1 0 15 16 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 M END > 20514 $$$$ SciTegic05042114222D 17 18 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 O 0 0 3.9511 -0.8815 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 6.9313 -0.7443 0.0000 O 0 0 6.4430 -1.8405 0.0000 C 0 0 4.6873 -4.3927 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 2.7000 0.0000 C 0 0 1 8 2 0 2 9 1 0 2 12 1 0 3 5 2 0 4 7 1 0 4 8 1 0 4 9 1 0 5 6 1 0 5 16 1 0 6 7 2 0 6 17 1 0 8 16 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 15 1 0 12 14 1 0 13 14 1 0 M END > 21548 > 50-89-5 $$$$ SciTegic05042114222D 22 25 0 0 1 0 999 V2000 -1.2990 1.7500 0.0000 H 0 0 -1.2990 -1.7500 0.0000 H 0 0 -0.8097 -2.0868 0.0000 H 0 0 2.4080 -1.7437 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.7979 -3.1140 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.3061 -2.9572 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 2.3947 -0.2606 0.0000 C 0 0 3.5814 -1.4927 0.0000 O 0 0 11 1 1 6 12 2 1 1 10 3 1 6 4 5 1 0 4 6 1 0 4 22 1 1 5 7 1 0 5 10 1 0 5 21 1 1 6 9 1 0 7 8 1 0 8 11 1 0 9 10 1 0 10 12 1 0 11 12 1 0 11 13 1 0 12 16 1 0 13 17 2 0 13 14 1 0 14 15 2 0 15 18 1 0 16 19 1 0 17 20 1 0 17 19 1 0 18 20 2 0 M END > 22194 > 2529-64-8 $$$$ SciTegic05042114222D 20 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 O 0 0 -4.9363 -1.3500 0.0000 O 0 0 -2.9095 2.9665 0.0000 O 0 0 -4.4013 3.1233 0.0000 C 0 0 -5.0114 1.7529 0.0000 C 0 0 -5.2819 4.3363 0.0000 C 0 0 -6.7736 4.1795 0.0000 C 0 0 -7.3837 2.8092 0.0000 C 0 0 -6.5021 1.5956 0.0000 C 0 0 -7.4790 5.1503 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 20 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 7 12 1 0 8 9 1 0 8 14 1 0 9 10 1 0 9 11 2 0 12 13 1 0 13 14 2 0 13 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 2 0 M END > 22842 > 479-13-0 $$$$ SciTegic05042114222D 17 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -2.6024 -2.6978 0.0000 O 0 0 -5.2003 -1.4932 0.0000 C 0 0 -3.8969 0.4545 0.0000 C 0 0 -6.4990 -0.7410 0.0000 N 0 0 -7.5395 -1.3388 0.0000 C 0 0 -6.4969 0.4590 0.0000 C 0 0 0.0031 -3.0008 0.0000 C 0 0 -1.0351 -3.6026 0.0000 O 0 0 1.0432 -3.5993 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 6 15 1 0 7 8 1 0 7 9 2 0 8 10 1 0 8 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 15 16 1 0 15 17 2 0 M END > 22992 > 6306-63-4 $$$$ SciTegic05042114222D 24 27 0 0 0 0 999 V2000 3.0955 -2.3548 0.0000 O 0 0 -7.8007 -1.4864 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 5.0972 0.1561 0.0000 C 0 0 5.7073 1.5264 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 4.8256 2.7399 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.3338 2.5831 0.0000 C 0 0 -9.0971 -0.7319 0.0000 C 0 0 -9.0919 0.7681 0.0000 C 0 0 -7.7903 1.5136 0.0000 C 0 0 -6.4939 0.7591 0.0000 C 0 0 -6.4990 -0.7410 0.0000 C 0 0 -2.6003 -1.4978 0.0000 N 0 0 -2.6024 -2.6978 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 1 3 2 0 2 20 2 0 2 16 1 0 3 4 1 0 3 7 1 0 4 11 2 0 4 5 1 0 5 6 2 0 6 10 1 0 6 21 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 13 1 0 10 14 2 0 11 14 1 0 11 12 1 0 12 15 1 0 13 15 2 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 24 1 0 21 22 1 0 21 23 1 0 23 24 1 0 M END > 24048 > 5459-47-2 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 1.0392 -3.6000 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 S 0 0 -1.2991 5.2500 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8912 -5.2578 0.0000 N 0 0 4.9292 -5.8600 0.0000 C 0 0 2.8509 -5.8560 0.0000 C 0 0 1 19 1 0 2 12 1 0 2 17 1 0 2 20 1 0 3 10 1 0 3 16 1 0 4 5 2 0 4 6 1 0 5 8 1 0 6 7 2 0 7 9 1 0 8 9 2 0 8 10 1 0 9 11 1 0 10 12 2 0 11 13 2 0 12 13 1 0 14 15 2 0 14 16 1 0 15 18 1 0 16 17 2 0 17 19 1 0 18 19 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 M END > 24113 > 5459-31-4 $$$$ SciTegic05042114222D 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 $$$$ SciTegic05042114222D 31 35 0 0 1 0 999 V2000 0.3114 2.9665 0.0000 O 0 0 2.4133 1.7530 0.0000 O 0 0 -0.4893 -4.3368 0.0000 H 0 0 -3.5111 -2.5922 0.0000 H 0 0 -3.0969 -5.3640 0.0000 O 0 0 -4.8805 -3.7428 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.6051 -5.2072 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2 0 0 0 0.0000 -3.0000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 0 0 0 -3.7070 -3.9937 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.8032 3.1233 0.0000 C 0 0 -3.8978 -0.7496 0.0000 C 0 0 -3.9002 0.7504 0.0000 C 0 0 -5.1957 -1.5016 0.0000 C 0 0 -5.2005 1.4984 0.0000 C 0 0 -6.4959 -0.7537 0.0000 C 0 0 -6.4983 0.7463 0.0000 C 0 0 -7.7930 -1.5089 0.0000 O 0 0 -7.7893 -2.7089 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 -7.5385 1.3446 0.0000 O 0 0 -5.1998 2.9992 0.0000 O 0 0 -4.1607 3.5994 0.0000 C 0 0 1 15 1 0 1 19 1 0 2 8 1 0 2 19 1 0 11 3 1 6 13 4 1 1 5 10 1 0 5 17 1 0 6 17 2 0 7 8 2 0 7 9 1 0 7 28 1 0 8 15 1 0 9 14 2 0 9 12 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 16 1 0 13 17 1 0 14 18 1 0 14 16 1 0 15 18 2 0 16 20 1 6 20 21 2 0 20 22 1 0 21 23 1 0 22 24 2 0 23 25 2 0 23 30 1 0 24 25 1 0 24 26 1 0 25 29 1 0 26 27 1 0 30 31 1 0 M END > 24817 > 568-53-6 $$$$ SciTegic05042114222D 32 36 0 0 1 0 999 V2000 -3.7124 -4.0030 0.0000 O 0 0 -1.6105 -5.2165 0.0000 O 0 0 -0.8097 2.0868 0.0000 H 0 0 2.2121 0.3422 0.0000 H 0 0 1.7978 3.1140 0.0000 O 0 0 -0.4980 3.8480 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.4079 1.7437 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.3061 2.9572 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.1023 -5.3733 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.5965 3.0004 0.0000 C 0 0 -3.8991 0.7525 0.0000 C 0 0 -5.1969 1.5045 0.0000 C 0 0 -3.8943 3.7525 0.0000 C 0 0 -5.1945 3.0045 0.0000 C 0 0 -3.8888 5.2533 0.0000 O 0 0 -2.8478 5.8502 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 -6.4916 3.7597 0.0000 O 0 0 -6.4879 4.9597 0.0000 C 0 0 -6.4963 0.7535 0.0000 O 0 0 -6.4965 -0.4465 0.0000 C 0 0 1 15 1 0 1 19 1 0 2 12 1 0 2 19 1 0 13 3 1 6 8 4 1 1 5 9 1 0 5 17 1 0 6 17 2 0 7 8 1 0 7 10 1 0 7 28 1 1 8 9 1 0 8 13 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 15 2 0 13 16 1 0 13 17 1 0 14 18 2 0 14 16 1 0 15 18 1 0 16 20 1 1 20 22 2 0 20 21 1 0 21 24 2 0 22 23 1 0 23 25 2 0 23 31 1 0 24 25 1 0 24 26 1 0 25 29 1 0 26 27 1 0 29 30 1 0 31 32 1 0 M END > 24818 > 518-28-5 $$$$ SciTegic05042114222D 32 36 0 0 1 0 999 V2000 0.3114 2.9665 0.0000 O 0 0 2.4133 1.7530 0.0000 O 0 0 -0.4893 -4.3368 0.0000 H 0 0 -3.5111 -2.5922 0.0000 H 0 0 -3.0969 -5.3640 0.0000 O 0 0 -4.8805 -3.7428 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.6051 -5.2072 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2 0 0 0 0.0000 -3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -3.7070 -3.9937 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1.8032 3.1233 0.0000 C 0 0 -3.8978 -0.7496 0.0000 C 0 0 -5.1957 -1.5016 0.0000 C 0 0 -3.9002 0.7504 0.0000 C 0 0 -5.2005 1.4984 0.0000 C 0 0 -6.4959 -0.7537 0.0000 C 0 0 -6.4983 0.7463 0.0000 C 0 0 -7.7930 -1.5089 0.0000 O 0 0 -7.7893 -2.7089 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 -7.8008 1.4920 0.0000 O 0 0 -8.8382 0.8888 0.0000 C 0 0 -5.1998 2.9992 0.0000 O 0 0 -4.1607 3.5994 0.0000 C 0 0 1 15 1 0 1 19 1 0 2 12 1 0 2 19 1 0 10 3 1 6 13 4 1 1 5 9 1 0 5 16 1 0 6 16 2 0 7 12 2 0 7 8 1 0 7 28 1 0 8 14 2 0 8 11 1 0 9 10 1 0 10 11 1 0 10 13 1 0 12 15 1 0 13 16 1 0 13 17 1 0 14 18 1 0 14 17 1 0 15 18 2 0 17 20 1 6 20 22 2 0 20 21 1 0 21 24 2 0 22 23 1 0 23 25 2 0 23 31 1 0 24 25 1 0 24 26 1 0 25 29 1 0 26 27 1 0 29 30 1 0 31 32 1 0 M END > 24819 > 518-29-6 $$$$ SciTegic05042114222D 24 26 0 0 1 0 999 V2000 -4.7631 -0.2500 0.0000 H 0 0 -1.2990 -1.7500 0.0000 H 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 0 0 0 -2.5981 -3.0000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 1 0 0 0 -5.1961 -3.0000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 1 0 0 0 -6.4596 -2.2716 0.0000 C 0 0 -6.4601 -3.4716 0.0000 O 0 0 -7.4988 -1.6715 0.0000 O 0 0 -5.1667 -0.3004 0.0000 C 0 0 -1.5588 -2.1000 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 C 0 0 3.6375 0.9049 0.0000 C 0 0 13 1 1 1 7 2 1 1 3 4 1 0 3 5 1 0 4 6 2 0 4 22 1 0 5 7 1 0 6 8 1 0 7 8 1 0 7 9 1 0 8 12 2 0 9 10 1 0 9 13 1 0 9 21 1 6 10 11 1 0 11 14 1 0 12 15 1 0 13 15 1 0 13 16 1 0 14 16 1 0 16 17 1 0 16 20 1 6 17 18 2 0 17 19 1 0 22 23 1 0 22 24 1 0 M END > 25149 > 514-10-3 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 7.7928 -6.0048 0.0000 C 0 0 9.0914 -5.2526 0.0000 C 0 0 14.0301 -8.1004 0.0000 Cl 0 0 11.6918 -5.2504 0.0000 C 0 0 10.3927 -6.0004 0.0000 C 0 0 12.9909 -6.0004 0.0000 C 0 0 12.9909 -7.5004 0.0000 C 0 0 10.3928 -7.5004 0.0000 C 0 0 11.6918 -8.2504 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 1 17 1 0 1 21 1 0 1 22 1 0 2 12 1 0 2 3 2 0 3 6 1 0 4 8 1 0 5 7 2 0 5 6 1 0 6 9 2 0 7 8 1 0 8 10 2 0 9 10 1 0 11 12 2 0 11 13 1 0 12 14 1 0 13 15 2 0 14 16 2 0 15 16 1 0 15 23 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 22 23 1 0 23 24 1 0 M END > 26040 $$$$ SciTegic05042114222D 14 15 0 0 0 0 999 V2000 0.0000 2.7000 0.0000 Cl 0 0 2.3383 -1.3500 0.0000 Cl 0 0 -0.3114 -2.9665 0.0000 N 0 0 0.3578 -3.7096 0.0000 H 0 0 -3.5871 -1.5034 0.0000 O 0 0 -2.4032 -4.1625 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 1 11 1 0 2 7 1 0 3 9 1 0 3 14 1 0 3 4 1 0 5 13 2 0 6 14 2 0 7 8 2 0 7 9 1 0 8 11 1 0 9 10 2 0 10 12 1 0 10 13 1 0 11 12 2 0 13 14 1 0 M END > 26045 > 6374-92-1 $$$$ SciTegic05042114222D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -0.3115 2.9665 0.0000 N 0 0 -4.3570 0.0307 0.0000 O 0 0 -2.4133 1.7530 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -5.0460 2.3579 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -5.8565 0.0701 0.0000 C 0 0 2.6003 1.4978 0.0000 S 0 0 3.8990 0.7455 0.0000 C 0 0 5.2003 1.4932 0.0000 C 0 0 6.4994 0.7433 0.0000 C 0 0 7.7985 1.4933 0.0000 C 0 0 7.7985 2.9933 0.0000 C 0 0 6.4995 3.7433 0.0000 C 0 0 5.2004 2.9933 0.0000 C 0 0 -6.3055 -2.2283 0.0000 O 0 0 -6.7662 -1.1203 0.0000 C 0 0 -7.4135 1.9091 0.0000 O 0 0 -5.0071 3.5572 0.0000 O 0 0 1 6 2 0 1 10 1 0 2 10 2 0 2 8 1 0 3 9 2 0 3 7 1 0 4 11 1 0 4 14 1 0 5 8 1 0 5 9 1 0 5 11 1 0 6 7 1 0 6 15 1 0 7 8 2 0 11 12 1 0 12 13 1 0 12 26 1 0 13 14 1 0 13 25 1 0 14 24 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 23 24 1 0 M END > 26273 > 6165-03-3 $$$$ SciTegic05042114222D 19 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 0.0000 7.5000 0.0000 C 0 0 1.2990 8.2500 0.0000 C 0 0 2.5980 6.0000 0.0000 C 0 0 2.5980 7.5000 0.0000 C 0 0 1.2990 5.2500 0.0000 N 0 3 -2.3383 5.8500 0.0000 C 0 0 1 2 2 0 1 3 1 0 2 5 1 0 3 4 2 0 4 6 1 0 5 6 2 0 5 7 1 0 6 9 1 0 7 10 2 0 7 8 1 0 8 18 2 0 9 11 2 0 10 11 1 0 10 12 1 0 12 13 2 0 12 19 1 0 13 14 1 0 13 18 1 0 14 15 2 0 15 17 1 0 16 17 2 0 16 18 1 0 M CHG 1 18 1 M END > 28002 $$$$ SciTegic05042114222D 17 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -0.3115 2.9665 0.0000 N 0 0 -2.4133 1.7530 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -4.9619 2.4739 0.0000 C 0 0 -6.4015 2.0523 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -6.7561 0.5949 0.0000 C 0 0 -4.2318 -0.0195 0.0000 C 0 0 -5.6713 -0.4410 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 2.3383 1.3500 0.0000 N 0 0 1 5 2 0 1 9 1 0 2 9 2 0 2 7 1 0 3 8 2 0 3 6 1 0 4 7 1 0 4 8 1 0 4 12 1 0 5 6 1 0 5 17 1 0 6 7 2 0 9 16 1 0 10 11 2 0 10 12 1 0 11 13 1 0 12 14 2 0 13 15 2 0 14 15 1 0 M END > 29603 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 O 0 0 -1.2990 0.7500 0.0000 O 0 0 5.1894 7.5110 0.0000 C 0 0 5.1894 6.0109 0.0000 C 0 0 6.4884 8.2610 0.0000 C 0 0 7.7875 7.5110 0.0000 C 0 0 6.4885 5.2610 0.0000 C 0 0 7.7875 6.0110 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.1894 -7.5110 0.0000 C 0 0 -6.4884 -8.2610 0.0000 C 0 0 -5.1894 -6.0109 0.0000 C 0 0 -6.4885 -5.2610 0.0000 C 0 0 -7.7875 -7.5110 0.0000 C 0 0 -7.7875 -6.0110 0.0000 C 0 0 -3.8912 -5.2578 0.0000 C 0 0 -2.8509 -5.8560 0.0000 O 0 0 -3.8933 -3.7570 0.0000 O 0 0 -2.5951 -3.0039 0.0000 Hg 0 0 -2.5972 -1.5031 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 Hg 0 0 3.8933 3.7570 0.0000 O 0 0 3.8912 5.2578 0.0000 C 0 0 2.8509 5.8560 0.0000 O 0 0 1 9 1 0 1 11 1 0 2 10 1 0 2 12 1 0 3 5 2 0 3 4 1 0 4 7 2 0 4 27 1 0 5 6 1 0 6 8 2 0 7 8 1 0 9 10 1 0 9 24 1 0 11 12 1 0 12 23 1 0 13 14 2 0 13 15 1 0 14 17 1 0 15 16 2 0 15 19 1 0 16 18 1 0 17 18 2 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 M END > 30916 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 N 0 0 3.6373 3.6000 0.0000 O 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -4.9500 0.0000 N 0 0 1 9 1 0 1 12 1 0 1 18 1 0 2 14 2 0 2 19 1 0 3 11 2 0 4 6 2 0 4 5 1 0 5 8 2 0 6 7 1 0 7 9 2 0 8 9 1 0 10 12 2 0 10 11 1 0 11 13 1 0 12 14 1 0 13 15 2 0 14 15 1 0 16 17 2 0 16 18 1 0 17 20 1 0 17 22 1 0 18 19 2 0 19 21 1 0 20 21 2 0 M END > 31702 > 6364-25-6 $$$$ SciTegic05042114222D 5 4 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 O 0 0 2.6000 0.0000 0.0000 N 0 0 3.6394 0.5997 0.0000 O 0 0 1.3000 1.9500 0.0000 N 0 0 1 2 2 0 1 3 1 0 1 5 1 0 3 4 1 0 M END > 32065 > 127-07-1 $$$$ SciTegic05042114222D 13 12 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 3.9000 0.7500 0.0000 N 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 1.3000 1.9500 0.0000 N 0 0 0.2606 0.1503 0.0000 N 0 0 2.6000 0.0000 0.0000 N 0 0 7.7999 0.0000 0.0000 N 0 0 6.5000 1.9500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 N 0 0 10.3999 -1.2000 0.0000 N 0 0 11.4393 0.5997 0.0000 N 0 0 1 5 1 0 1 6 2 0 1 7 1 0 2 3 2 0 2 7 1 0 3 4 1 0 4 8 2 0 4 9 1 0 8 11 1 0 10 11 1 0 10 12 1 0 10 13 2 0 M END > 32946 > 7059-23-6 $$$$ SciTegic05042114222D 27 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 -3.8912 -5.2578 0.0000 C 0 0 -4.9336 -3.1588 0.0000 O 0 0 -5.1894 -6.0109 0.0000 C 0 0 -5.1872 -7.5117 0.0000 C 0 0 -6.2296 -5.4127 0.0000 O 0 0 -6.4854 -8.2648 0.0000 C 0 0 -6.4833 -9.7657 0.0000 C 0 0 -7.7797 -10.5203 0.0000 C 0 0 -7.7745 -12.0202 0.0000 C 0 0 -6.4729 -12.7657 0.0000 C 0 0 -5.1764 -12.0112 0.0000 C 0 0 -5.1816 -10.5113 0.0000 C 0 0 -3.8726 -12.7545 0.0000 O 0 0 -2.8363 -12.1494 0.0000 C 0 0 -6.4687 -13.9657 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 8 1 0 2 3 1 0 2 10 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 11 2 0 8 9 1 0 11 12 1 0 12 13 1 0 12 14 2 0 13 15 1 0 15 16 1 0 15 17 2 0 16 18 2 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 27 1 0 23 24 2 0 23 25 1 0 25 26 1 0 M END > 32982 > 458-37-7 $$$$ SciTegic05042114222D 39 42 0 0 0 0 999 V2000 -2.2896 -4.9425 0.0000 O 0 0 4.9837 2.6793 0.0000 O 0 0 3.2127 4.5792 0.0000 O 0 0 4.2194 0.1938 0.0000 C 0 0 3.1198 -0.8265 0.0000 C 0 0 3.8856 1.6562 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 1.6852 -2.7319 0.0000 C 0 0 1.3515 -4.1943 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.0000 -4.8451 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -1.6852 -2.7319 0.0000 C 0 0 -1.3514 -4.1943 0.0000 C 0 0 2.8739 6.0405 0.0000 C 0 0 3.9699 7.0645 0.0000 C 0 0 5.4048 6.6274 0.0000 C 0 0 5.7436 5.1661 0.0000 C 0 0 4.6476 4.1420 0.0000 C 0 0 0.0031 -6.3479 0.0000 O 0 0 1.0431 -6.9464 0.0000 C 0 0 3.4574 -2.2889 0.0000 O 0 0 4.6047 -2.6405 0.0000 C 0 0 -3.1510 -0.7161 0.0000 N 0 0 -4.1703 0.3855 0.0000 C 0 0 -5.3407 0.1209 0.0000 O 0 0 -3.8146 1.5316 0.0000 C 0 0 5.6545 -0.2456 0.0000 O 0 0 6.5330 0.5718 0.0000 C 0 0 6.8915 4.8164 0.0000 O 0 0 6.2816 7.4466 0.0000 O 0 0 3.6988 8.2335 0.0000 O 0 0 1.4373 6.4749 0.0000 C 0 0 0.5616 5.6544 0.0000 O 0 0 1 19 2 0 2 6 1 0 2 24 1 0 3 20 1 0 3 24 1 0 4 5 2 0 4 6 1 0 4 33 1 0 5 8 1 0 5 27 1 0 6 7 2 0 7 9 1 0 8 9 2 0 8 10 1 0 9 13 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 15 2 0 13 16 1 0 14 18 2 0 14 17 1 0 15 19 1 0 15 25 1 0 16 17 1 0 17 29 1 0 18 19 1 0 20 21 1 0 20 38 1 0 21 22 1 0 21 37 1 0 22 23 1 0 22 36 1 0 23 24 1 0 23 35 1 0 25 26 1 0 27 28 1 0 29 30 1 0 30 31 2 0 30 32 1 0 33 34 1 0 38 39 1 0 M END > 32992 $$$$ SciTegic05042114222D 16 18 0 0 0 0 999 V2000 -2.7504 -7.0088 0.0000 C 0 0 -1.9048 -5.7699 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -4.2462 -6.8960 0.0000 C 0 0 -2.5536 -4.4230 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -4.8963 -5.5442 0.0000 C 0 0 -4.0507 -4.3052 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.3114 -2.9665 0.0000 N 0 0 -2.4133 -1.7530 0.0000 S 0 0 -4.9227 -7.8871 0.0000 O 0 0 1 2 1 0 1 4 2 0 2 5 2 0 3 8 2 0 3 7 1 0 4 9 1 0 4 16 1 0 5 6 1 0 5 10 1 0 6 14 2 0 6 15 1 0 7 14 1 0 7 11 2 0 8 12 1 0 9 10 2 0 11 15 1 0 11 13 1 0 12 13 2 0 M END > 33004 > 6265-55-0 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 -2.7504 -7.0088 0.0000 C 0 0 -1.9048 -5.7699 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -4.2462 -6.8960 0.0000 C 0 0 -2.5536 -4.4230 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -4.8963 -5.5442 0.0000 C 0 0 -4.0507 -4.3052 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.3114 -2.9665 0.0000 N 0 0 -2.4133 -1.7530 0.0000 S 0 0 -6.5912 -8.0188 0.0000 C 0 0 -7.2698 -9.0085 0.0000 O 0 0 -5.0948 -8.1338 0.0000 N 0 0 -7.1094 -6.9364 0.0000 C 0 0 1 2 1 0 1 4 2 0 2 5 2 0 3 8 2 0 3 7 1 0 4 9 1 0 4 18 1 0 5 6 1 0 5 10 1 0 6 14 2 0 6 15 1 0 7 14 1 0 7 11 2 0 8 12 1 0 9 10 2 0 11 15 1 0 11 13 1 0 12 13 2 0 16 17 2 0 16 18 1 0 16 19 1 0 M END > 33006 > 6265-57-2 $$$$ SciTegic05042114222D 34 37 0 0 1 0 999 V2000 -2.2896 -4.9425 0.0000 O 0 0 4.2194 0.1938 0.0000 C 0 0 3.1198 -0.8265 0.0000 C 0 0 3.8856 1.6562 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 1.6852 -2.7319 0.0000 C 0 0 1.3515 -4.1943 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.0000 -4.8451 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -2.7319 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 2 0 0 0 -1.3514 -4.1943 0.0000 C 0 0 0.0031 -6.3479 0.0000 O 0 0 1.0431 -6.9464 0.0000 C 0 0 3.4574 -2.2889 0.0000 O 0 0 4.6047 -2.6405 0.0000 C 0 0 -3.1497 -0.7220 0.0000 N 0 0 -3.5900 -2.1568 0.0000 C 0 0 -2.7723 -3.0351 0.0000 O 0 0 -5.0525 -2.4938 0.0000 C 0 0 -5.4947 -3.9271 0.0000 C 0 0 -6.9571 -4.2609 0.0000 C 0 0 -7.9774 -3.1614 0.0000 C 0 0 -7.5353 -1.7280 0.0000 C 0 0 -6.0729 -1.3942 0.0000 C 0 0 5.6545 -0.2456 0.0000 O 0 0 6.5330 0.5718 0.0000 C 0 0 4.9837 2.6793 0.0000 O 0 0 4.7150 3.8488 0.0000 C 0 0 1 17 2 0 2 3 2 0 2 4 1 0 2 31 1 0 3 6 1 0 3 20 1 0 4 5 2 0 4 33 1 0 5 7 1 0 6 7 2 0 6 8 1 0 7 11 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 13 2 0 11 14 1 0 12 15 2 0 12 16 1 0 13 17 1 0 13 18 1 0 14 16 1 0 15 17 1 0 16 22 1 1 18 19 1 0 20 21 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 25 30 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 31 32 1 0 33 34 1 0 M END > 33410 > 63989-75-3 $$$$ SciTegic05042114222D 27 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.5981 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -7.8007 1.4864 0.0000 C 0 0 -6.4939 -0.7591 0.0000 C 0 0 -7.8059 2.9864 0.0000 C 0 0 -9.1075 3.7318 0.0000 C 0 0 -7.7903 -1.5136 0.0000 C 0 0 -9.0971 0.7319 0.0000 C 0 0 -10.4039 2.9774 0.0000 C 0 0 -10.3988 1.4774 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -9.0919 -0.7681 0.0000 N 0 3 -10.3875 -1.5257 0.0000 C 0 0 -10.3817 -2.7257 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5956 -2.7031 0.0000 C 0 0 1 3 1 0 1 9 1 0 1 26 1 0 2 4 2 0 2 3 1 0 3 5 2 0 4 6 1 0 5 7 1 0 5 8 1 0 6 7 2 0 8 10 1 0 8 20 2 0 9 10 2 0 11 13 2 0 11 12 1 0 11 22 1 0 12 17 2 0 12 14 1 0 13 16 1 0 14 15 2 0 15 18 1 0 16 23 2 0 17 19 1 0 17 23 1 0 18 19 2 0 20 21 1 0 21 22 2 0 23 24 1 0 24 25 1 0 26 27 1 0 M CHG 1 23 1 M END > 34391 > 4727-50-8 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 1.6105 5.2165 0.0000 O 0 0 3.7124 4.0030 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 3.1022 5.3733 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 3.8963 0.7469 0.0000 O 0 0 3.8946 -0.4531 0.0000 C 0 0 -1.2982 3.7531 0.0000 O 0 0 -1.2965 4.9531 0.0000 C 0 0 1 8 2 0 2 13 1 0 2 14 1 0 2 19 1 0 3 6 1 0 3 18 1 0 4 12 1 0 4 18 1 0 5 7 2 0 5 6 1 0 5 22 1 0 6 12 2 0 7 8 1 0 7 13 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 15 1 0 12 16 1 0 13 16 2 0 14 17 1 0 15 17 2 0 16 20 1 0 20 21 1 0 22 23 1 0 M END > 34757 > 475-91-2 $$$$ SciTegic05042114222D 56 61 0 0 0 0 999 V2000 11.6839 -8.2643 0.0000 C 0 0 11.6838 -9.7643 0.0000 C 0 0 10.3847 -10.5142 0.0000 C 0 0 9.0857 -9.7642 0.0000 C 0 0 9.0857 -8.2641 0.0000 C 0 0 10.3848 -7.5142 0.0000 C 0 0 7.7875 -7.5110 0.0000 C 0 0 7.7897 -6.0102 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 12.9820 -10.5174 0.0000 N 0 0 12.9798 -12.0183 0.0000 N 0 0 2.5973 -1.5031 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 0.0000 3.0000 0.0000 C 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 14.2779 -12.7714 0.0000 C 0 0 14.2779 -14.2714 0.0000 C 0 0 15.5769 -15.0215 0.0000 C 0 0 16.8760 -14.2716 0.0000 C 0 0 16.8761 -12.7716 0.0000 C 0 0 15.5771 -12.0215 0.0000 C 0 0 15.5768 -16.5215 0.0000 C 0 0 16.8758 -17.2716 0.0000 C 0 0 18.1749 -16.5217 0.0000 C 0 0 18.1750 -15.0217 0.0000 C 0 0 -2.5988 -1.5004 0.0000 S 0 0 -3.6384 -0.9011 0.0000 O 0 0 -2.5984 -2.7004 0.0000 O 0 0 -3.6377 -2.1009 0.0000 O 0 0 7.7859 -10.5146 0.0000 S 0 0 7.7852 -11.7146 0.0000 O 0 0 6.7469 -9.9142 0.0000 O 0 0 6.7464 -11.1140 0.0000 O 0 0 18.1759 -12.0213 0.0000 S 0 0 19.2155 -12.6207 0.0000 O 0 0 18.1756 -10.8213 0.0000 O 0 0 19.2149 -11.4209 0.0000 O 0 0 7.7913 -3.0067 0.0000 S 0 0 8.8309 -3.6061 0.0000 O 0 0 7.7909 -1.8067 0.0000 O 0 0 8.8302 -2.4062 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 13.2386 -14.8714 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 16 1 0 3 4 2 0 4 5 1 0 4 43 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 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 14 51 1 0 15 18 2 0 16 17 2 0 17 29 1 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 55 1 0 21 22 2 0 21 25 1 0 22 23 1 0 22 28 1 0 23 24 2 0 23 39 1 0 25 26 2 0 26 27 1 0 27 28 2 0 29 30 2 0 29 34 1 0 30 31 1 0 30 56 1 0 31 32 2 0 31 35 1 0 32 33 1 0 32 38 1 0 33 34 2 0 33 47 1 0 35 36 2 0 36 37 1 0 37 38 2 0 39 40 2 0 39 41 2 0 39 42 1 0 43 44 2 0 43 45 2 0 43 46 1 0 47 48 2 0 47 49 2 0 47 50 1 0 51 52 2 0 51 53 2 0 51 54 1 0 M END > 34931 > 6962-42-1 $$$$ SciTegic05042114222D 27 31 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 N 0 3 7.7905 -6.0071 0.0000 C 0 0 7.7905 -7.5071 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 6.4914 -8.2571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 5.1924 -7.5070 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1 10 2 0 1 6 1 0 1 25 1 0 2 3 2 0 2 4 1 0 3 7 1 0 4 8 2 0 4 5 1 0 5 6 2 0 7 9 2 0 8 10 1 0 8 9 1 0 11 12 2 0 11 13 1 0 11 26 1 0 12 15 1 0 13 14 2 0 14 16 1 0 15 16 2 0 15 17 1 0 16 20 1 0 17 21 2 0 17 18 1 0 18 19 2 0 19 22 1 0 20 23 2 0 21 23 1 0 21 24 1 0 22 24 2 0 25 26 1 0 26 27 2 0 M CHG 1 1 1 M END > 35489 > 7401-24-3 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.6003 1.4978 0.0000 S 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.3577 3.7096 0.0000 H 0 0 -0.3115 2.9665 0.0000 N 0 0 -2.4133 1.7530 0.0000 N 0 0 9.0919 -0.7680 0.0000 C 0 0 7.7903 -1.5135 0.0000 C 0 0 9.0971 0.7320 0.0000 C 0 0 7.8007 1.4864 0.0000 C 0 0 6.4939 -0.7591 0.0000 C 0 0 6.4990 0.7410 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 3.8990 0.7455 0.0000 C 0 0 5.2003 1.4932 0.0000 C 0 0 1 13 2 0 1 17 1 0 2 13 1 0 2 19 1 0 3 17 2 0 3 15 1 0 4 5 1 0 5 14 1 0 5 16 1 0 6 16 2 0 6 15 1 0 7 9 2 0 7 8 1 0 8 11 2 0 9 10 1 0 10 12 2 0 11 12 1 0 12 20 1 0 13 14 1 0 14 15 2 0 17 18 1 0 19 20 1 0 M END > 35866 > 92025-69-9 $$$$ SciTegic05042114222D 36 41 0 0 0 0 999 V2000 0.3578 -3.7096 0.0000 H 0 0 -0.3114 -2.9665 0.0000 N 0 0 -6.8914 -4.7934 0.0000 N 0 0 -5.9693 -7.6483 0.0000 S 0 0 -4.7903 -7.8721 0.0000 O 0 0 -4.0310 3.3398 0.0000 H 0 0 -4.3396 2.3887 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -7.0645 2.6741 0.0000 C 0 0 -8.3633 1.9236 0.0000 C 0 0 -5.7652 1.9246 0.0000 C 0 0 -8.3627 0.4236 0.0000 C 0 0 -5.7646 0.4246 0.0000 C 0 0 -7.0634 -0.3259 0.0000 C 0 0 -4.3454 -0.0177 0.0000 C 0 0 -3.4575 1.1754 0.0000 C 0 0 -6.3509 -2.2515 0.0000 C 0 0 -7.3549 -3.3660 0.0000 C 0 0 -6.8143 -0.8248 0.0000 C 0 0 -8.8220 -3.0539 0.0000 C 0 0 -8.2815 -0.5127 0.0000 C 0 0 -9.2853 -1.6273 0.0000 C 0 0 -5.4247 -5.1080 0.0000 C 0 0 -4.9636 -6.5354 0.0000 C 0 0 -7.8970 -5.9065 0.0000 C 0 0 -7.4360 -7.3339 0.0000 C 0 0 -3.8794 -1.4442 0.0000 C 0 0 -4.8823 -2.5608 0.0000 C 0 0 -6.7945 -8.5196 0.0000 O 0 0 1 2 1 0 2 10 1 0 2 15 1 0 3 25 1 0 3 30 1 0 3 32 1 0 4 5 2 0 4 31 1 0 4 33 1 0 4 36 2 0 6 7 1 0 7 18 1 0 7 23 1 0 8 9 2 0 8 10 1 0 9 11 1 0 10 12 2 0 11 13 2 0 12 13 1 0 12 14 1 0 14 15 2 0 14 34 1 0 16 17 2 0 16 18 1 0 17 19 1 0 18 20 2 0 19 21 2 0 20 21 1 0 20 22 1 0 22 23 2 0 22 34 1 0 24 25 2 0 24 26 1 0 24 35 1 0 25 27 1 0 26 28 2 0 27 29 2 0 28 29 1 0 30 31 1 0 32 33 1 0 34 35 1 0 M END > 35949 $$$$ SciTegic05042114222D 26 28 0 0 1 0 999 V2000 -4.3091 3.3320 0.0000 O 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 1.5000 -2.8577 0.0000 C 0 0 0.7500 -4.1567 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 1 0 0 0 -0.7500 -1.5574 0.0000 C 0 0 -0.7500 -4.1567 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.5000 -2.8577 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -2.2884 2.2509 0.0000 C 0 0 -3.0384 -1.0351 0.0000 C 0 0 -3.7884 2.2509 0.0000 C 0 0 -4.3899 -0.3843 0.0000 C 0 0 -4.7237 1.0781 0.0000 C 0 0 1.5031 -5.4549 0.0000 O 0 0 2.7031 -5.4532 0.0000 C 0 0 -1.5031 -5.4549 0.0000 O 0 0 -2.7031 -5.4532 0.0000 C 0 0 -3.0008 -2.8614 0.0000 O 0 0 -3.5989 -3.9017 0.0000 C 0 0 -6.1894 1.4095 0.0000 O 0 0 -7.0044 0.5287 0.0000 C 0 0 0.0000 2.9286 0.0000 N 0 0 1 15 2 0 2 3 1 0 2 4 1 0 3 7 1 0 4 8 2 0 4 5 1 0 5 6 2 0 6 9 1 0 6 18 1 0 7 10 1 0 7 26 1 1 8 11 1 0 8 12 1 0 9 11 2 0 9 20 1 0 10 13 2 0 10 12 1 0 11 22 1 0 12 14 2 0 13 15 1 0 14 16 1 0 15 17 1 0 16 17 2 0 17 24 1 0 18 19 1 0 20 21 1 0 22 23 1 0 24 25 1 0 M END > 36354 > 49720-72-1 $$$$ SciTegic05042114222D 27 28 0 0 0 0 999 V2000 1.0000 -3.0200 0.0000 C 0 0 2.7600 -2.3100 0.0000 C 0 0 -0.3600 -2.2500 0.0000 C 0 0 2.2500 -0.9100 0.0000 C 0 0 -1.6600 -2.9500 0.0000 C 0 0 -3.2600 -0.8500 0.0000 C 0 0 3.6300 -0.1200 0.0000 C 0 0 0.8600 -0.1200 0.0000 C 0 0 -3.2600 -2.1800 0.0000 C 0 0 -4.7900 0.0000 0.0000 C 0 0 3.6300 1.4800 0.0000 C 0 0 0.8600 1.4800 0.0000 C 0 0 -1.9700 1.4500 0.0000 C 0 0 -4.7900 1.3100 0.0000 C 0 0 -0.5100 2.1400 0.0000 C 0 0 -3.1800 2.0800 0.0000 C 0 0 2.2500 2.2700 0.0000 O 0 0 4.0252 -3.1052 0.0000 O 0 0 4.9908 -5.2414 0.0000 O 0 0 4.7033 2.0167 0.0000 O 0 0 3.9733 -4.6051 0.0000 C 0 0 -5.8806 -0.5006 0.0000 C 0 0 -1.5456 2.7462 0.0000 O 0 0 -0.3254 -1.0505 0.0000 C 0 0 0.5179 2.7592 0.0000 C 0 0 4.7296 -0.6006 0.0000 C 0 0 2.9138 -5.1685 0.0000 C 0 0 1 2 1 0 1 3 1 0 2 18 1 0 2 4 1 0 3 5 2 0 3 24 1 0 4 7 1 0 4 8 1 0 5 9 1 0 6 9 1 0 6 10 1 0 7 11 1 0 7 26 2 0 8 12 1 0 10 14 2 0 10 22 1 0 11 20 2 0 11 17 1 0 12 17 1 0 12 15 1 0 13 15 1 0 13 16 1 0 14 16 1 0 15 23 1 0 15 25 1 0 18 21 1 0 19 21 2 0 21 27 1 0 M END > 36437 > 28028-68-4 $$$$ SciTegic05042114222D 26 29 0 0 1 0 999 V2000 -0.5550 1.0360 0.0000 C 0 0 -0.5550 0.2039 0.0000 C 0 0 2 0 0 0 0.1659 -0.2130 0.0000 C 0 0 1 0 0 0 0.8859 0.2039 0.0000 C 0 0 2 0 0 0 1.6069 -0.2130 0.0000 C 0 0 2.3280 0.2039 0.0000 C 0 0 2.3280 1.0360 0.0000 C 0 0 0.2039 -0.9860 0.0000 C 0 0 0.9009 -1.4089 0.0000 C 0 0 0.9159 -2.3159 0.0000 C 0 0 0.2429 -2.8050 0.0000 C 0 0 0.5000 -3.5959 0.0000 C 0 0 1.3319 -3.5959 0.0000 O 0 0 1.5889 -2.8050 0.0000 C 0 0 -1.2750 -0.2130 0.0000 C 0 0 0.8899 -0.5480 0.0000 C 0 0 2.2639 1.8020 0.0000 C 0 0 1.6119 0.5729 0.0000 H 0 0 -0.4840 1.8429 0.0000 H 0 0 -0.7260 -0.7239 0.0000 O 0 0 0.8859 1.0360 0.0000 C 0 0 1 0 0 0 0.1659 1.4520 0.0000 C 0 0 2 0 0 0 0.4679 2.2729 0.0000 O 0 0 1.3049 2.2729 0.0000 C 0 0 1.6069 1.4520 0.0000 C 0 0 1 0 0 0 1.6589 3.0299 0.0000 O 0 0 1 2 1 0 1 22 1 0 2 3 1 0 2 15 1 6 3 4 1 0 3 8 1 0 3 20 1 6 4 5 1 0 4 16 1 1 4 21 1 0 5 6 1 0 6 7 1 0 7 25 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 14 2 0 11 12 2 0 12 13 1 0 13 14 1 0 25 17 1 6 21 18 1 6 22 19 1 6 21 22 1 0 21 25 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 M END > 36693 > 465-92-9 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.6003 1.4978 0.0000 S 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.3577 3.7096 0.0000 H 0 0 -0.3115 2.9665 0.0000 N 0 0 6.4994 -0.4567 0.0000 Cl 0 0 -2.4133 1.7530 0.0000 N 0 0 7.7985 2.9933 0.0000 C 0 0 7.7985 1.4933 0.0000 C 0 0 6.4995 3.7433 0.0000 C 0 0 6.4994 0.7433 0.0000 C 0 0 5.2004 2.9933 0.0000 C 0 0 5.2003 1.4932 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 3.8990 0.7455 0.0000 C 0 0 1 14 2 0 1 18 1 0 2 14 1 0 2 20 1 0 3 18 2 0 3 16 1 0 4 5 1 0 5 15 1 0 5 17 1 0 6 11 1 0 7 17 2 0 7 16 1 0 8 9 2 0 8 10 1 0 9 11 1 0 10 12 2 0 11 13 2 0 12 13 1 0 13 20 1 0 14 15 1 0 15 16 2 0 18 19 1 0 M END > 36826 > 5069-77-2 $$$$ SciTegic05042114222D 13 14 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -0.3115 2.9665 0.0000 N 0 0 0.3577 3.7096 0.0000 H 0 0 -2.4133 1.7530 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 2.6003 1.4978 0.0000 O 0 0 3.6387 0.8963 0.0000 C 0 0 1 6 2 0 1 10 1 0 2 10 2 0 2 8 1 0 3 7 1 0 3 9 1 0 3 4 1 0 5 9 2 0 5 8 1 0 6 7 1 0 6 12 1 0 7 8 2 0 10 11 1 0 12 13 1 0 M END > 37364 > 20535-83-5 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 0 3.8999 -0.7576 0.0000 C 0 0 4.9372 -1.3609 0.0000 Cl 0 0 3.9040 0.4424 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 4.9329 -3.1621 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1 2 1 0 1 5 1 0 1 11 1 0 2 3 1 0 2 4 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 18 1 0 9 10 2 0 11 12 1 0 11 16 2 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 M END > 38721 > 53-19-0 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 4.9329 -3.1621 0.0000 O 0 0 5.1746 -7.5169 0.0000 N 0 0 3.8915 -3.7585 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 6.4684 -8.2759 0.0000 C 0 0 6.4581 -9.7759 0.0000 C 0 0 5.1539 -10.5169 0.0000 C 0 0 3.8600 -9.7579 0.0000 C 0 0 3.8704 -8.2580 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 5.1820 -6.0161 0.0000 C 0 0 1 15 1 0 1 19 1 0 1 20 1 0 2 4 2 0 3 10 1 0 3 14 1 0 3 21 1 0 4 5 1 0 4 6 1 0 5 7 1 0 5 21 1 0 6 8 1 0 6 20 1 0 7 9 1 0 8 9 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 M END > 39202 $$$$ SciTegic05042114222D 35 40 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -3.4641 2.5000 0.0000 H 0 0 -0.4330 4.7500 0.0000 H 0 0 -3.4642 6.5000 0.0000 H 0 0 -3.5112 7.0921 0.0000 H 0 0 -1.6052 9.7072 0.0000 C 0 0 2 0 0 0 -1.2991 8.2500 0.0000 C 0 0 1 0 0 0 -3.0970 9.8640 0.0000 C 0 0 -0.0001 7.5000 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 -3.7071 8.4936 0.0000 C 0 0 -2.5981 7.5000 0.0000 C 0 0 1 0 0 0 -1.2991 5.2500 0.0000 C 0 0 1 0 0 0 -2.5981 6.0000 0.0000 C 0 0 1 0 0 0 -1.2991 3.7500 0.0000 C 0 0 1 0 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.8972 5.2500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 -1.2978 -3.7529 0.0000 C 0 0 -1.2955 -5.2529 0.0000 C 0 0 0.0048 -6.0009 0.0000 C 0 0 1.3026 -5.2488 0.0000 C 0 0 1.3002 -3.7488 0.0000 C 0 0 -0.2598 4.3500 0.0000 C 0 0 -0.3274 8.9542 0.0000 C 0 0 -0.4356 9.4388 0.0000 O 0 0 -1.9914 10.8433 0.0000 C 0 0 1 19 2 0 1 25 1 0 2 25 2 0 2 22 1 0 21 3 1 1 14 4 1 1 15 5 1 6 13 6 1 1 7 8 1 0 7 9 1 0 7 34 1 6 7 35 1 0 8 10 1 0 8 13 1 0 8 33 1 6 9 12 1 0 10 11 1 0 11 14 1 0 12 13 1 0 13 15 1 0 14 15 1 0 14 16 1 0 15 20 1 0 16 17 1 0 16 21 1 0 16 32 1 6 17 18 1 0 18 22 2 0 18 19 1 0 20 23 1 0 21 23 1 0 21 24 1 0 22 24 1 0 25 26 1 0 26 27 2 0 26 31 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 M END > 39863 $$$$ SciTegic05042114222D 10 10 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 N 0 0 -2.3383 1.3500 0.0000 Cl 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 1 5 1 0 2 8 2 0 2 5 1 0 3 7 1 0 4 7 2 0 4 8 1 0 5 6 2 0 6 7 1 0 6 9 1 0 8 10 1 0 M END > 40212 > 1780-33-2 $$$$ SciTegic05042114222D 32 36 0 0 0 0 999 V2000 -2.3306 -7.6592 0.0000 O 0 0 2.3545 -10.3443 0.0000 O 0 0 2.3459 -7.6443 0.0000 Cl 0 0 0.0048 -6.0009 0.0000 N 0 0 0.0000 -3.0008 0.0000 N 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2978 -3.7529 0.0000 C 0 0 -1.2955 -5.2529 0.0000 C 0 0 -1.2895 -8.2559 0.0000 C 0 0 0.0072 -7.5016 0.0000 C 0 0 -1.2847 -9.7558 0.0000 C 0 0 -2.5814 -10.5100 0.0000 C 0 0 -2.5766 -12.0100 0.0000 C 0 0 1.3086 -8.2476 0.0000 C 0 0 0.0167 -10.5017 0.0000 C 0 0 -1.2752 -12.7558 0.0000 C 0 0 1.3133 -9.7476 0.0000 C 0 0 0.0215 -12.0017 0.0000 C 0 0 1.3002 -3.7488 0.0000 C 0 0 1.3026 -5.2488 0.0000 C 0 0 1 21 2 0 2 29 2 0 3 26 1 0 4 20 1 0 4 22 1 0 4 32 1 0 5 11 1 0 5 19 1 0 5 31 1 0 6 16 1 0 7 18 2 0 8 9 2 0 9 10 1 0 9 11 1 0 10 15 2 0 10 12 1 0 11 16 2 0 12 13 2 0 13 14 1 0 14 17 2 0 15 17 1 0 15 18 1 0 16 18 1 0 19 20 1 0 21 22 1 0 21 23 1 0 22 26 2 0 23 27 2 0 23 24 1 0 24 25 2 0 25 28 1 0 26 29 1 0 27 30 1 0 27 29 1 0 28 30 2 0 31 32 1 0 M END > 40341 > 6312-47-6 $$$$ SciTegic05042114222D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.6003 1.4978 0.0000 S 0 0 -1.2990 -0.7500 0.0000 N 0 0 -0.3115 2.9665 0.0000 N 0 0 -4.3570 0.0307 0.0000 O 0 0 -2.4133 1.7530 0.0000 N 0 0 7.7985 2.9933 0.0000 C 0 0 6.4995 3.7433 0.0000 C 0 0 7.7985 1.4933 0.0000 C 0 0 6.4994 0.7433 0.0000 C 0 0 5.2003 1.4932 0.0000 C 0 0 5.2004 2.9933 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -5.0460 2.3579 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -5.8565 0.0701 0.0000 C 0 0 -5.0071 3.5572 0.0000 O 0 0 -6.7662 -1.1203 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 -6.3055 -2.2283 0.0000 O 0 0 -7.4135 1.9091 0.0000 O 0 0 3.8990 0.7455 0.0000 C 0 0 6.4994 -0.4567 0.0000 Cl 0 0 1 13 2 0 1 17 1 0 2 13 1 0 2 27 1 0 3 17 2 0 3 15 1 0 4 16 2 0 4 14 1 0 5 18 1 0 5 21 1 0 6 15 1 0 6 16 1 0 6 18 1 0 7 9 2 0 7 8 1 0 8 12 2 0 9 10 1 0 10 11 2 0 10 28 1 0 11 12 1 0 11 27 1 0 13 14 1 0 14 15 2 0 17 24 1 0 18 19 1 0 19 20 1 0 19 22 1 0 20 21 1 0 20 26 1 0 21 23 1 0 23 25 1 0 M END > 40666 > 13153-25-8 $$$$ SciTegic05042114222D 9 8 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 1.3000 1.9500 0.0000 O 0 0 0.2606 0.1503 0.0000 O 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 3.9000 1.9500 0.0000 S 0 0 5.2000 0.0000 0.0000 C 0 0 6.2394 0.5997 0.0000 O 0 0 5.2000 -1.2000 0.0000 O 0 0 1 2 1 0 1 3 2 0 1 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 M END > 41809 $$$$ SciTegic05042114222D 30 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.6061 6.0003 0.0000 C 0 0 -2.6061 7.5003 0.0000 C 0 0 -5.1904 1.5090 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.3071 8.2503 0.0000 C 0 0 -6.4920 0.7635 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0080 6.0003 0.0000 C 0 0 -0.0080 7.5003 0.0000 C 0 0 -6.4972 -0.7365 0.0000 C 0 0 -5.2007 -1.4909 0.0000 C 0 0 -1.3040 9.7511 0.0000 O 0 0 -2.6003 -1.4978 0.0000 O 0 0 -3.8939 0.7546 0.0000 O 0 0 -0.2640 10.3497 0.0000 C 0 0 -3.6454 8.1002 0.0000 O 0 0 -1.3039 3.7494 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 -5.2049 -2.6909 0.0000 O 0 0 -5.1821 3.0099 0.0000 C 0 0 -7.5384 -1.3329 0.0000 O 0 0 -7.5291 1.3671 0.0000 O 0 0 -4.1400 3.6048 0.0000 O 0 0 1 2 1 0 1 6 2 0 1 25 1 0 2 7 2 0 3 4 1 0 3 8 2 0 4 9 2 0 4 22 1 0 5 20 1 0 5 10 1 0 5 27 1 0 6 12 1 0 7 24 1 0 7 13 1 0 8 14 1 0 8 23 1 0 9 18 1 0 9 15 1 0 10 16 1 0 10 29 1 0 11 20 1 0 11 17 1 0 11 19 1 0 12 19 1 0 12 13 2 0 14 15 2 0 16 17 1 0 16 28 1 0 17 26 1 0 18 21 1 0 23 24 2 0 27 30 1 0 M END > 43321 > 155-58-8 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 O 0 3 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -3.8972 5.2500 0.0000 C 0 0 -2.5981 6.0000 0.0000 C 0 0 -2.6012 7.5008 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 3.6331 -3.6060 0.0000 C 0 0 3.8999 -0.7576 0.0000 C 0 0 4.9372 -1.3609 0.0000 C 0 0 -3.9021 8.2494 0.0000 C 0 0 -3.9045 9.4494 0.0000 C 0 0 -1.3043 8.2562 0.0000 C 0 0 -1.3081 9.4562 0.0000 C 0 0 1 2 1 0 1 17 1 0 1 19 1 0 2 4 2 0 2 3 1 0 3 5 2 0 4 6 1 0 5 7 1 0 6 8 2 0 6 7 1 0 7 9 2 0 8 10 1 0 9 11 1 0 10 13 1 0 10 11 2 0 11 12 1 0 12 14 2 0 13 15 2 0 14 15 1 0 15 16 1 0 16 21 1 0 16 23 1 0 17 18 1 0 19 20 1 0 21 22 1 0 23 24 1 0 M CHG 1 8 1 M END > 44690 > 2150-48-3 $$$$ SciTegic05042114222D 37 40 0 0 0 0 999 V2000 5.1945 -3.0045 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.5965 -3.0004 0.0000 N 0 0 3.8943 -3.7525 0.0000 C 0 0 3.9010 0.4475 0.0000 N 0 0 6.4978 -0.7562 0.0000 C 0 0 6.4979 0.7438 0.0000 C 0 0 7.7969 1.4938 0.0000 C 0 0 9.0959 0.7438 0.0000 C 0 0 9.0960 -0.7562 0.0000 C 0 0 7.7969 -1.5062 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 10.3942 1.4969 0.0000 O 0 0 10.3925 2.6969 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 O 0 0 -2.5981 2.7000 0.0000 O 0 0 -4.9363 -1.3500 0.0000 N 0 0 -5.1984 1.4977 0.0000 O 0 0 -6.2368 0.8962 0.0000 C 0 0 10.3942 -1.5092 0.0000 O 0 0 10.3925 -2.7092 0.0000 C 0 0 7.7970 -2.7062 0.0000 O 0 0 3.8888 -5.2533 0.0000 C 0 0 2.8478 -5.8502 0.0000 O 0 0 4.9261 -5.8568 0.0000 O 0 0 6.2328 -3.6062 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 37 1 0 2 3 1 0 2 8 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 14 1 0 5 6 2 0 6 34 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 20 1 0 12 13 2 0 12 31 1 0 13 33 1 0 14 15 1 0 14 19 2 0 15 16 2 0 16 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 18 25 1 0 20 21 1 0 22 23 1 0 22 27 2 0 23 24 2 0 23 29 1 0 24 25 1 0 24 28 1 0 25 26 2 0 29 30 1 0 31 32 1 0 34 35 2 0 34 36 1 0 M END > 45383 > 3930-19-6 $$$$ SciTegic05042114222D 13 13 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 N 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 N 0 0 2.6375 0.8603 0.0000 C 0 0 2.8853 2.0344 0.0000 O 0 0 3.5307 0.0589 0.0000 N 0 0 1.6281 -2.2462 0.0000 N 0 0 1.0157 -3.6164 0.0000 N 0 0 1.8954 -4.8324 0.0000 N 0 0 1.4057 -5.9280 0.0000 C 0 0 3.0890 -4.7091 0.0000 C 0 0 1 2 2 0 1 5 1 0 1 9 1 0 2 3 1 0 2 6 1 0 3 4 2 0 4 5 1 0 6 7 2 0 6 8 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 M END > 45388 > 4342-03-4 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 -2.5973 1.5031 0.0000 N 0 0 -2.5951 3.0039 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -2.5943 6.0070 0.0000 C 0 0 -2.5943 7.5070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8933 8.2570 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 7.5070 0.0000 C 0 0 -5.1925 1.8070 0.0000 O 0 0 1 2 2 0 1 11 1 0 2 13 1 0 3 5 2 0 3 4 1 0 4 9 2 0 4 6 1 0 5 8 1 0 6 7 2 0 7 10 1 0 8 11 2 0 9 12 1 0 9 11 1 0 10 12 2 0 13 15 2 0 13 14 1 0 14 19 2 0 14 16 1 0 15 18 1 0 15 23 1 0 16 17 2 0 17 20 1 0 18 21 2 0 19 21 1 0 19 22 1 0 20 22 2 0 M END > 45575 > 2653-64-7 $$$$ SciTegic05042114222D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 S 0 0 3.8912 -5.2578 0.0000 N 0 0 3.8808 -8.2579 0.0000 N 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 5.1824 -7.5124 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8767 -9.4579 0.0000 C 0 0 3.8978 3.7504 0.0000 C 0 0 3.8986 4.9504 0.0000 F 0 0 4.9369 3.1501 0.0000 F 0 0 4.9373 4.3499 0.0000 F 0 0 1 9 1 0 1 14 1 0 1 23 1 0 2 7 1 0 2 12 1 0 3 17 1 0 3 19 1 0 3 21 1 0 4 18 1 0 4 20 1 0 4 24 1 0 5 6 2 0 5 7 1 0 6 8 1 0 7 9 2 0 8 10 2 0 8 25 1 0 9 10 1 0 11 13 2 0 11 12 1 0 12 14 2 0 13 15 1 0 14 16 1 0 15 16 2 0 17 18 1 0 19 20 1 0 21 22 1 0 22 23 1 0 25 26 1 0 25 27 1 0 25 28 1 0 M END > 46061 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 N 0 0 1.6281 -2.2462 0.0000 C 0 0 1.0157 -3.6164 0.0000 C 0 0 -0.6056 -5.3944 0.0000 C 0 0 0.7625 -6.0093 0.0000 C 0 0 1.7701 -4.8981 0.0000 C 0 0 -1.9079 -6.1403 0.0000 C 0 0 -4.2940 -6.4353 0.0000 C 0 0 -3.6526 -7.7913 0.0000 C 0 0 -2.1648 -7.6003 0.0000 C 0 0 -3.2026 -5.4063 0.0000 N 0 0 -0.4436 -3.9032 0.0000 N 0 0 -2.3548 0.7651 0.0000 C 0 0 0.0031 2.7742 0.0000 C 0 0 1.3039 3.5228 0.0000 C 0 0 1.3070 5.0236 0.0000 C 0 0 2.6079 5.7721 0.0000 C 0 0 2.6104 6.9721 0.0000 C 0 0 3.2604 -5.0516 0.0000 O 0 0 3.7516 -6.1465 0.0000 C 0 0 1 2 1 0 1 5 1 0 1 6 2 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 4 17 1 0 6 7 1 0 7 10 2 0 7 16 1 0 8 9 2 0 8 11 1 0 8 16 1 0 9 10 1 0 10 23 1 0 11 14 2 0 11 15 1 0 12 13 2 0 12 15 1 0 13 14 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 23 24 1 0 M END > 47147 > 82-89-3 $$$$ SciTegic05042114222D 32 35 0 0 1 0 999 V2000 -6.2354 3.6000 0.0000 O 0 0 -1.2990 1.9500 0.0000 F 0 0 -1.2990 -1.7500 0.0000 H 0 0 -0.8097 -2.0868 0.0000 H 0 0 2.4080 -1.7436 0.0000 C 0 0 1 0 0 0 1.7979 -3.1140 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 0.3061 -2.9572 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5981 1.5000 0.0000 C 0 0 1 0 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 1 0 0 0 -5.1962 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -1.5589 2.1000 0.0000 C 0 0 -4.9363 -1.3500 0.0000 C 0 0 2.3947 -0.2606 0.0000 C 0 0 3.3874 -2.8638 0.0000 C 0 0 4.5610 -2.6137 0.0000 O 0 0 3.0175 -4.0053 0.0000 C 0 0 2.8434 -0.3212 0.0000 O 0 0 1.8382 0.7933 0.0000 C 0 0 2.2074 1.9351 0.0000 O 0 0 0.6647 0.5425 0.0000 C 0 0 1 19 2 0 12 2 1 6 13 3 1 1 11 4 1 6 5 6 1 0 5 7 1 0 5 26 1 0 5 29 1 6 6 10 1 0 7 8 1 0 7 11 1 0 7 25 1 1 8 9 1 0 9 12 1 0 9 22 1 1 10 11 1 0 11 13 1 0 12 14 1 0 12 13 1 0 13 17 1 0 14 15 1 0 14 18 1 0 14 23 1 1 15 16 2 0 16 19 1 0 17 20 1 0 18 21 2 0 18 20 1 0 19 21 1 0 20 24 1 6 26 27 2 0 26 28 1 0 29 30 1 0 30 31 2 0 30 32 1 0 M END > 47438 > 3801-06-7 $$$$ SciTegic05042114222D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2900 5.2520 0.0000 C 0 0 0.0113 5.9981 0.0000 C 0 0 -1.2947 3.7520 0.0000 C 0 0 1.3080 5.2441 0.0000 C 0 0 0.0021 2.9981 0.0000 C 0 0 1.3034 3.7441 0.0000 C 0 0 -5.1995 -1.4984 0.0000 C 0 0 -3.9007 -0.7478 0.0000 C 0 0 -5.1989 -2.9984 0.0000 C 0 0 -2.6014 -1.4974 0.0000 C 0 0 -3.8996 -3.7479 0.0000 C 0 0 -2.6008 -2.9974 0.0000 C 0 0 -6.2390 -0.8988 0.0000 O 0 0 -1.3008 -3.7473 0.0000 C 0 0 -0.2614 -3.1476 0.0000 C 0 0 -1.3008 -4.9473 0.0000 C 0 0 -0.2616 -4.3474 0.0000 C 0 0 -3.8983 0.7530 0.0000 C 0 0 -2.5977 1.5021 0.0000 N 0 0 -2.5952 3.0029 0.0000 C 0 0 2.6009 2.9897 0.0000 C 0 0 3.6423 3.5859 0.0000 C 0 0 2.5968 1.7897 0.0000 C 0 0 3.6380 2.3860 0.0000 C 0 0 -2.3274 5.8553 0.0000 O 0 0 1 2 1 0 1 3 1 0 2 5 1 0 3 4 1 0 4 6 1 0 5 6 1 0 6 25 1 0 7 9 2 0 7 8 1 0 7 31 1 0 8 10 2 0 9 11 1 0 9 26 1 0 10 12 1 0 11 12 2 0 12 27 1 0 13 14 2 0 13 15 1 0 13 19 1 0 14 16 1 0 14 24 1 0 15 17 2 0 16 18 2 0 17 18 1 0 18 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 24 25 1 0 25 26 1 0 27 28 1 0 27 29 1 0 27 30 1 0 M END > 48151 > 4660-54-2 $$$$ SciTegic05042114222D 43 46 0 0 1 0 999 V2000 -6.2354 3.6000 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 -1.7321 2.0000 0.0000 H 0 0 -1.2990 -1.7500 0.0000 H 0 0 3.3880 -2.8625 0.0000 C 0 0 2 0 0 0 4.8556 -2.5483 0.0000 C 0 0 2.7018 -0.7878 0.0000 H 0 0 2.4080 -1.7436 0.0000 C 0 0 1 0 0 0 1.7979 -3.1140 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5981 1.5000 0.0000 C 0 0 2 0 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 1 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -3.8972 4.9500 0.0000 O 0 0 -5.1678 0.3003 0.0000 C 0 0 -6.2210 2.1242 0.0000 C 0 0 -1.2990 1.9500 0.0000 C 0 0 3.0193 -4.0045 0.0000 C 0 0 2.3947 -0.2606 0.0000 C 0 0 -0.9717 -2.2042 0.0000 C 0 0 4.1924 -3.7530 0.0000 O 0 0 2.3979 -4.1532 0.0000 O 0 0 0.3061 -2.9572 0.0000 C 0 0 5.2243 -1.4064 0.0000 O 0 0 5.8622 -3.6615 0.0000 C 0 0 7.3298 -3.3473 0.0000 C 0 0 8.3364 -4.4604 0.0000 C 0 0 7.9676 -5.6024 0.0000 C 0 0 7.1631 -4.7123 0.0000 C 0 0 9.8039 -4.1462 0.0000 O 0 0 10.8106 -5.2594 0.0000 C 0 0 11.9840 -5.0081 0.0000 O 0 0 10.4418 -6.4013 0.0000 C 0 0 1 21 2 0 2 12 2 0 16 3 1 6 15 4 1 1 5 8 1 0 5 28 1 1 5 31 1 0 5 6 1 0 6 34 2 0 6 35 1 0 8 7 1 6 8 9 1 0 8 10 1 0 9 32 1 6 9 33 1 0 10 11 1 0 10 13 1 0 10 29 1 1 11 12 1 0 12 14 1 0 13 15 1 0 13 30 1 6 13 33 1 0 14 16 1 0 14 15 1 0 14 27 1 1 15 19 1 0 16 17 1 0 16 20 1 0 17 18 1 0 18 21 1 0 18 24 1 1 19 22 1 0 20 22 2 0 20 23 1 0 21 23 1 0 23 25 1 0 23 26 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 M END > 49451 > 6199-67-3 $$$$ SciTegic05042114222D 16 19 0 0 0 0 999 V2000 -2.2949 0.9330 0.0000 S 0 0 1.5849 0.2279 0.0000 N 0 0 1.9549 1.5980 0.0000 N 0 0 2.6949 0.8680 0.0000 N 0 0 2.5650 1.4680 0.0000 C 0 0 1.3249 1.2280 0.0000 C 0 0 1.5849 0.9679 0.0000 C 0 0 -1.6959 0.4979 0.0000 C 0 0 -1.9249 -0.2049 0.0000 C 0 0 -2.6649 -0.2049 0.0000 C 0 0 -2.8929 0.4979 0.0000 C 0 0 2.0650 0.4979 0.0000 C 0 0 2.3250 0.2279 0.0000 C 0 0 0.9549 -0.1420 0.0000 C 0 0 -0.9249 0.4979 0.0000 C 0 0 1.3249 0.4979 0.0000 N 0 3 1 8 1 0 1 11 1 0 2 7 1 0 2 13 1 0 2 14 1 0 3 5 1 0 3 6 1 0 3 7 1 0 4 5 1 0 4 12 1 0 4 13 1 0 6 16 1 0 8 9 2 0 8 15 1 0 9 10 1 0 10 11 2 0 12 16 1 0 14 16 1 0 15 16 1 0 M CHG 1 16 1 M END > 49660 > 6296-08-8 $$$$ SciTegic05042114222D 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 $$$$ SciTegic05042114222D 3 2 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 Cd 0 0 0.2606 0.1503 0.0000 Cl 0 0 2.3394 0.1503 0.0000 Cl 0 0 1 2 1 0 1 3 1 0 M END > 51148 > 10108-64-2 $$$$ SciTegic05042114222D 32 35 0 0 1 0 999 V2000 0.2598 5.8500 0.0000 O 0 0 3.4641 2.5000 0.0000 H 0 0 2.1651 0.2500 0.0000 H 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 2 0 0 0 3.8971 3.7500 0.0000 C 0 0 3.8971 5.2500 0.0000 C 0 0 5.1961 6.0001 0.0000 C 0 0 5.1961 7.5001 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 3.7500 0.0000 C 0 0 2.5980 6.0000 0.0000 C 0 0 3.8970 8.2500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 2.5980 7.5000 0.0000 C 0 0 1.5588 8.1000 0.0000 O 0 0 -1.0393 3.6000 0.0000 O 0 0 -1.0392 2.1000 0.0000 O 0 0 2.6003 -1.4977 0.0000 N 0 0 3.6387 -0.8963 0.0000 C 0 0 2.6024 -2.6977 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.6387 -0.8963 0.0000 O 0 0 -2.6024 -2.6978 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 1 21 2 0 9 2 1 6 6 3 1 6 4 19 2 0 5 6 1 0 5 7 1 0 5 26 1 6 6 8 1 0 6 15 1 0 7 14 2 0 7 32 1 0 8 9 1 0 9 10 1 0 9 16 1 0 10 11 1 0 11 17 2 0 11 12 1 0 12 13 2 0 13 18 1 0 14 19 1 0 14 29 1 0 15 20 1 0 15 19 1 0 15 25 1 6 16 20 2 0 16 21 1 0 17 22 1 0 17 21 1 0 18 22 2 0 20 24 1 0 22 23 1 0 26 27 1 0 26 28 1 0 29 30 2 0 29 31 1 0 M END > 51812 > 6625-20-3 $$$$ SciTegic05042114222D 60 64 0 0 1 0 999 V2000 3.5005 4.8279 0.0000 O 0 0 2.4352 2.6526 0.0000 O 0 0 5.2612 4.2793 0.0000 H 0 0 -0.7032 3.5080 0.0000 H 0 0 6.1967 2.0656 0.0000 O 0 0 -2.6309 1.9351 0.0000 O 0 0 8.6145 1.7890 0.0000 H 0 0 -4.4322 3.6681 0.0000 H 0 0 -7.8587 2.3444 0.0000 O 0 0 8.0884 -1.1089 0.0000 O 0 0 -7.3056 0.2609 0.0000 O 0 0 7.5793 -3.0636 0.0000 O 0 0 -9.0123 -2.9342 0.0000 H 0 0 4.4348 -2.5528 0.0000 H 0 0 -6.6098 -2.3047 0.0000 O 0 0 2.5657 -1.1089 0.0000 O 0 0 -5.3656 -4.4153 0.0000 H 0 0 1.0018 -3.0220 0.0000 H 0 0 -2.3482 -2.8483 0.0000 O 0 0 -3.3338 -5.3746 0.0000 O 0 0 2.2830 -3.5006 0.0000 C 0 0 1.5655 -2.1960 0.0000 C 0 0 2 0 0 0 3.8050 -3.1962 0.0000 C 0 0 3.9572 -1.6742 0.0000 C 0 0 1 0 0 0 0.0652 -2.0003 0.0000 C 0 0 -0.8480 -3.1962 0.0000 C 0 0 1 0 0 0 5.4357 -2.4352 0.0000 C 0 0 1 0 0 0 7.0230 -2.0003 0.0000 C 0 0 8.0884 3.4136 0.0000 C 0 0 7.6535 2.0656 0.0000 C 0 0 1 0 0 0 6.9142 4.3486 0.0000 C 0 0 5.7619 3.4136 0.0000 C 0 0 2 0 0 0 7.2839 0.6088 0.0000 C 0 0 8.4363 0.0870 0.0000 C 0 0 2 0 0 0 4.6312 2.9788 0.0000 C 0 0 2 0 0 0 3.5876 3.6311 0.0000 C 0 0 -3.3484 -4.1746 0.0000 C 0 0 -4.3486 -2.9136 0.0000 C 0 0 1 0 0 0 -5.9576 -3.6093 0.0000 C 0 0 1 0 0 0 -6.9142 -4.7182 0.0000 C 0 0 -8.2623 -4.0659 0.0000 C 0 0 -9.1320 -1.5655 0.0000 C 0 0 -8.7841 0.0000 0.0000 C 0 0 2 0 0 0 -8.0666 -2.6092 0.0000 C 0 0 1 0 0 0 1.1089 3.2397 0.0000 C 0 0 1 0 0 0 0.0000 2.2395 0.0000 C 0 0 -1.4350 2.8266 0.0000 C 0 0 1 0 0 0 -1.8916 4.2181 0.0000 C 0 0 -3.4136 4.2181 0.0000 C 0 0 -3.8920 2.8266 0.0000 C 0 0 1 0 0 0 -5.4357 2.9788 0.0000 C 0 0 1 0 0 0 -6.8490 1.6959 0.0000 C 0 0 0.9194 4.4246 0.0000 C 0 0 4.5166 1.7843 0.0000 C 0 0 -5.8125 4.1181 0.0000 C 0 0 9.5264 0.5886 0.0000 C 0 0 -9.6138 0.8670 0.0000 C 0 0 5.3112 -3.6287 0.0000 C 0 0 -4.0563 -1.7497 0.0000 C 0 0 -0.4417 -4.3253 0.0000 C 0 0 1 36 2 0 2 36 1 0 2 45 1 0 32 3 1 6 47 4 1 1 5 30 1 0 5 32 1 0 6 47 1 0 6 50 1 0 30 7 1 6 50 8 1 1 9 52 2 0 10 28 1 0 10 34 1 0 11 43 1 0 11 52 1 0 12 28 2 0 44 13 1 6 24 14 1 1 15 39 1 0 15 44 1 0 16 22 1 0 16 24 1 0 39 17 1 6 22 18 1 1 19 26 1 0 19 37 1 0 20 37 2 0 21 22 1 0 21 23 1 0 22 25 1 0 23 24 1 0 24 27 1 0 25 26 1 0 26 60 1 1 27 28 1 0 27 58 1 1 29 30 1 0 29 31 1 0 30 33 1 0 31 32 1 0 32 35 1 0 33 34 1 0 34 56 1 6 35 36 1 0 35 54 1 1 37 38 1 0 38 39 1 0 38 59 1 1 39 40 1 0 40 41 1 0 41 44 1 0 42 43 1 0 42 44 1 0 43 57 1 6 45 46 1 0 45 53 1 1 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 55 1 1 M END > 52141 > 6833-84-7 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 3.8990 0.7525 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2959 -5.2508 0.0000 O 0 0 -0.2559 -5.8494 0.0000 C 0 0 -3.8994 -3.7478 0.0000 O 0 0 -4.9377 -3.1463 0.0000 C 0 0 -3.8994 -0.7523 0.0000 O 0 0 -4.9378 -1.3538 0.0000 C 0 0 6.4915 3.7597 0.0000 O 0 0 6.4879 4.9597 0.0000 C 0 0 1 11 2 0 2 8 1 0 2 14 1 0 3 4 2 0 3 5 1 0 4 6 1 0 5 7 2 0 5 8 1 0 6 10 2 0 6 24 1 0 7 10 1 0 8 9 2 0 9 11 1 0 11 12 1 0 12 14 2 0 12 17 1 0 13 15 2 0 13 14 1 0 15 16 1 0 15 18 1 0 16 17 2 0 16 20 1 0 17 22 1 0 18 19 1 0 20 21 1 0 22 23 1 0 24 25 1 0 M END > 53908 > 1168-42-9 $$$$ SciTegic05042114222D 11 12 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 S 0 0 -1.2135 0.3943 0.0000 N 0 0 1.1393 3.7252 0.0000 S 0 0 0.5656 5.1112 0.0000 C 0 0 -0.9298 4.9939 0.0000 C 0 0 -1.2803 3.5354 0.0000 C 0 0 0.0000 2.7767 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.4553 -2.0031 0.0000 N 0 0 1 9 1 0 1 10 1 0 2 10 2 0 2 8 1 0 3 4 1 0 3 7 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 10 11 1 0 M END > 54297 > 28989-50-6 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 5.1945 3.0046 0.0000 N 0 0 3.8990 0.7525 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8994 -3.7478 0.0000 O 0 0 -4.9377 -3.1463 0.0000 C 0 0 1 8 1 0 1 15 1 0 2 11 2 0 3 6 2 0 3 10 1 0 4 5 2 0 4 6 1 0 5 7 1 0 5 8 1 0 7 10 2 0 8 9 2 0 9 11 1 0 11 12 1 0 12 15 2 0 12 17 1 0 13 14 2 0 13 15 1 0 14 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 M END > 54650 > 6951-16-2 $$$$ SciTegic05042114222D 16 18 0 0 0 0 999 V2000 -0.3114 -2.9665 0.0000 O 0 0 -3.5871 -1.5034 0.0000 O 0 0 -4.9095 -5.6405 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.3364 -5.1779 0.0000 C 0 0 -6.3374 -3.6779 0.0000 C 0 0 -4.9111 -3.2135 0.0000 C 0 0 -4.0505 -4.4264 0.0000 C 0 0 -2.5496 -4.4224 0.0000 C 0 0 1 5 1 0 1 10 1 0 2 9 2 0 3 12 1 0 3 15 1 0 4 6 2 0 4 5 1 0 5 7 2 0 6 8 1 0 7 9 1 0 7 11 1 0 8 11 2 0 9 10 1 0 10 16 2 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 M END > 56544 > 6622-22-6 $$$$ SciTegic05042114222D 31 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -7.8287 -16.4963 0.0000 C 0 0 -9.1303 -17.2418 0.0000 C 0 0 -7.8234 -14.9963 0.0000 C 0 0 -9.1199 -14.2419 0.0000 C 0 0 -10.4267 -16.4874 0.0000 C 0 0 -10.4216 -14.9874 0.0000 C 0 0 -11.7203 -14.2351 0.0000 O 0 0 -12.7607 -14.8330 0.0000 C 0 0 -6.5226 -14.2478 0.0000 C 0 0 -6.5195 -12.7469 0.0000 N 0 0 -5.2187 -11.9984 0.0000 N 0 0 -5.2156 -10.4976 0.0000 C 0 0 -6.2538 -9.8957 0.0000 O 0 0 -3.9148 -9.7490 0.0000 C 0 0 -2.8766 -10.3508 0.0000 C 0 0 -3.9117 -8.2482 0.0000 S 0 0 -2.6109 -7.4996 0.0000 C 0 0 -1.5727 -8.1014 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -3.6460 -5.3970 0.0000 O 0 0 -1.3070 -5.2502 0.0000 N 0 0 -1.3039 -3.7494 0.0000 N 0 0 -0.0031 -3.0008 0.0000 C 0 0 -2.6003 1.4977 0.0000 O 0 0 -3.6387 0.8962 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 5 2 0 2 29 1 0 3 4 1 0 4 6 2 0 5 6 1 0 6 30 1 0 7 8 2 0 7 9 1 0 8 11 1 0 9 10 2 0 9 15 1 0 10 12 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 30 31 1 0 M END > 56737 $$$$ SciTegic05042114222D 38 41 0 0 0 0 999 V2000 -8.8427 -0.9090 0.0000 O 0 0 -2.5956 2.7031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8978 -3.7504 0.0000 C 0 0 -7.7914 -6.0066 0.0000 C 0 0 -6.4935 -5.2546 0.0000 C 0 0 -5.1933 -6.0025 0.0000 C 0 0 -3.8955 -5.2504 0.0000 C 0 0 -9.0916 -5.2587 0.0000 C 0 0 -6.4959 -3.7546 0.0000 C 0 0 -9.0940 -3.7587 0.0000 C 0 0 -5.1981 -3.0025 0.0000 C 0 0 -7.7962 -3.0066 0.0000 C 0 0 -10.1299 -5.8604 0.0000 O 0 0 -10.1342 -3.1604 0.0000 O 0 0 -7.7921 -7.5075 0.0000 C 0 0 -8.8312 -8.1077 0.0000 C 0 0 -6.7529 -8.1076 0.0000 C 0 0 -7.8016 -1.5058 0.0000 C 0 0 -5.2000 -1.8025 0.0000 O 0 0 -2.8553 -5.8488 0.0000 C 0 0 -1.2990 -4.9500 0.0000 C 0 0 -3.6373 -0.9000 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 2.6003 -1.4977 0.0000 C 0 0 3.6387 -0.8963 0.0000 C 0 0 2.6024 -2.6977 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 1 28 2 0 2 33 2 0 3 5 2 0 3 4 1 0 3 34 1 0 4 9 2 0 4 6 1 0 5 8 1 0 5 37 1 0 6 7 2 0 7 10 1 0 7 31 1 0 8 11 2 0 8 38 1 0 9 12 1 0 9 11 1 0 10 12 2 0 10 13 1 0 11 33 1 0 12 32 1 0 13 21 2 0 13 17 1 0 14 18 2 0 14 15 1 0 14 25 1 0 15 19 2 0 15 16 1 0 16 17 2 0 17 30 1 0 18 20 1 0 18 23 1 0 19 22 1 0 19 21 1 0 20 22 2 0 20 24 1 0 21 29 1 0 22 28 1 0 25 26 1 0 25 27 1 0 34 35 1 0 34 36 1 0 M END > 56817 > 303-45-7 $$$$ SciTegic05042114222D 87 94 0 0 1 0 999 V2000 -4.5764 -0.2920 0.0000 O 0 0 -3.1604 4.3720 0.0000 O 0 0 -2.6384 5.3220 0.0000 O 0 0 -0.2054 -4.4320 0.0000 O 0 0 1.3635 -1.3349 0.0000 O 0 0 2.0415 3.4420 0.0000 O 0 0 2.9355 2.0779 0.0000 O 0 0 2.9845 6.3140 0.0000 H 0 0 3.3284 5.7179 0.0000 C 0 0 2 0 0 0 3.3384 4.9639 0.0000 H 0 0 3.4584 3.2579 0.0000 O 0 0 3.9465 4.5720 0.0000 O 0 0 3.9465 5.3619 0.0000 C 0 0 4.2574 6.3359 0.0000 H 0 0 4.6015 5.7399 0.0000 C 0 0 2 0 0 0 4.8334 4.7149 0.0000 H 0 0 5.2195 5.3829 0.0000 C 0 0 2 0 0 0 2.0415 5.7119 0.0000 C 0 0 2.6795 5.3439 0.0000 C 0 0 2 0 0 0 1.4035 5.3439 0.0000 C 0 0 0.7665 5.6889 0.0000 C 0 0 0.1304 5.3220 0.0000 C 0 0 -0.5074 5.6909 0.0000 C 0 0 -1.1454 5.3220 0.0000 C 0 0 2.6795 4.6069 0.0000 C 0 0 1 0 0 0 1.4035 4.6069 0.0000 C 0 0 0.1304 4.5850 0.0000 C 0 0 -1.1454 4.5850 0.0000 C 0 0 2.0415 4.2389 0.0000 C 0 0 0.7665 4.2210 0.0000 C 0 0 -0.5074 4.2170 0.0000 C 0 0 -2.6384 3.4689 0.0000 C 0 0 -3.1604 2.5650 0.0000 C 0 0 -4.2034 2.5650 0.0000 C 0 0 -4.2034 4.3720 0.0000 C 0 0 -4.7254 3.4689 0.0000 C 0 0 3.4584 1.1720 0.0000 C 0 0 2.9355 0.2659 0.0000 C 0 0 1.8895 0.2659 0.0000 C 0 0 1.8895 2.0779 0.0000 C 0 0 1.3665 1.1720 0.0000 C 0 0 -4.2034 0.3529 0.0000 C 0 0 -4.5764 0.9990 0.0000 C 0 0 -5.3214 0.9990 0.0000 C 0 0 -5.6944 0.3529 0.0000 C 0 0 -5.3214 -0.2920 0.0000 C 0 0 1.8895 -2.2450 0.0000 C 0 0 1.3635 -3.1560 0.0000 C 0 0 0.3125 -3.1560 0.0000 C 0 0 0.3125 -1.3349 0.0000 C 0 0 -0.2134 -2.2450 0.0000 C 0 0 0.3125 -5.3279 0.0000 C 0 0 -0.2054 -6.2239 0.0000 C 0 0 -1.2404 -6.2239 0.0000 C 0 0 -1.2404 -4.4320 0.0000 C 0 0 -1.7574 -5.3279 0.0000 C 0 0 -5.6944 -0.4529 0.0000 O 0 0 -6.5951 -0.9729 0.0000 C 0 0 -4.7254 4.1640 0.0000 O 0 0 -5.6261 4.6840 0.0000 C 0 0 -6.5268 4.1640 0.0000 O 0 0 -5.6261 5.7239 0.0000 C 0 0 -5.3214 0.1770 0.0000 O 0 0 -5.3214 -1.0829 0.0000 C 0 0 -4.2034 5.0630 0.0000 C 0 0 -2.0225 4.0789 0.0000 C 0 0 -1.7574 -4.6410 0.0000 O 0 0 -2.6581 -4.1210 0.0000 C 0 0 -3.5588 -4.6410 0.0000 O 0 0 -2.6581 -3.0810 0.0000 C 0 0 -1.2404 -5.1229 0.0000 C 0 0 -1.2404 -5.7010 0.0000 C 0 0 -1.2404 -7.0120 0.0000 O 0 0 -0.5074 3.4420 0.0000 O 0 0 -0.2134 -3.0250 0.0000 O 0 0 0.3125 -0.6540 0.0000 C 0 0 0.7665 3.4420 0.0000 O 0 0 1.3665 0.4179 0.0000 O 0 0 1.8895 2.7590 0.0000 C 0 0 3.6865 7.0549 0.0000 O 0 0 4.6910 7.3243 0.0000 C 0 0 4.9484 6.3400 0.0000 O 0 0 5.5845 4.7500 0.0000 O 0 0 5.8524 5.7480 0.0000 C 0 0 0.3125 -2.2589 0.0000 O 0 0 1.8895 1.1529 0.0000 O 0 0 -4.2034 3.5089 0.0000 O 0 0 1 42 1 0 1 46 1 0 2 32 1 0 2 35 1 0 3 24 1 0 3 32 1 0 4 52 1 0 4 55 1 0 5 47 1 0 5 50 1 0 6 29 2 0 7 37 1 0 7 40 1 0 9 8 1 1 9 13 1 0 9 19 1 0 9 80 1 0 19 10 1 6 25 11 1 6 11 37 1 0 12 13 2 0 13 15 1 0 15 14 1 6 15 17 1 0 15 82 1 0 17 16 1 6 17 83 1 0 17 84 1 0 18 19 1 0 18 20 1 0 19 25 1 0 20 21 2 0 20 26 1 0 21 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 28 2 0 25 29 1 0 26 30 2 0 26 29 1 0 27 31 2 0 27 30 1 0 28 31 1 0 28 66 1 0 30 77 1 0 31 74 1 0 32 33 1 0 33 34 1 0 34 36 1 0 34 87 1 0 35 36 1 0 35 65 1 0 36 59 1 0 37 38 1 0 38 39 1 0 39 41 1 0 39 86 1 0 40 41 1 0 40 79 1 0 41 78 1 0 42 43 1 0 42 87 1 0 43 44 1 0 44 45 1 0 44 63 1 0 45 46 1 0 45 57 1 0 46 64 1 0 47 48 1 0 47 86 1 0 48 49 1 0 49 51 1 0 49 85 1 0 50 51 1 0 50 76 1 0 51 75 1 0 52 53 1 0 52 85 1 0 53 54 1 0 54 56 1 0 54 72 1 0 54 73 1 0 55 56 1 0 55 71 1 0 56 67 1 0 57 58 1 0 59 60 1 0 60 61 2 0 60 62 1 0 67 68 1 0 68 69 2 0 68 70 1 0 80 81 1 0 M END > 58514 > 7059-24-7 $$$$ SciTegic05042114222D 22 21 0 0 0 0 999 V2000 0.2606 0.1503 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 C 0 0 12.9999 0.0000 0.0000 C 0 0 14.2999 0.7500 0.0000 C 0 0 15.5999 0.0000 0.0000 C 0 0 16.8999 0.7500 0.0000 C 0 0 18.1999 0.0000 0.0000 C 0 0 19.4998 0.7500 0.0000 C 0 0 20.7998 0.0000 0.0000 O 0 0 22.0998 0.7500 0.0000 C 0 0 23.3998 0.0000 0.0000 C 0 0 23.3998 -1.2000 0.0000 O 0 0 24.6998 0.7500 0.0000 C 0 0 25.7392 0.1503 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 M END > 59269 > 53584-29-5 $$$$ SciTegic05042114222D 22 26 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 5 1.2990 -0.7500 0.0000 N 0 3 -1.2990 0.7500 0.0000 N 0 3 -2.3383 1.3500 0.0000 O 0 5 -0.0400 -5.5491 0.0000 C 0 0 -1.5318 -5.7059 0.0000 C 0 0 0.5701 -4.1788 0.0000 C 0 0 -2.4135 -4.4924 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -3.9602 -4.4217 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -4.7100 -3.1226 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -3.9598 -1.8236 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1 2 1 0 2 19 2 0 2 12 1 0 3 20 2 0 3 4 1 0 3 15 1 0 5 7 2 0 5 6 1 0 6 8 2 0 7 9 1 0 8 10 1 0 8 11 1 0 9 11 2 0 9 12 1 0 10 13 2 0 11 14 1 0 12 15 2 0 13 16 1 0 14 16 2 0 14 15 1 0 17 18 2 0 17 19 1 0 18 21 1 0 19 20 1 0 20 22 1 0 21 22 2 0 M CHG 4 1 -1 2 1 3 1 4 -1 M END > 60309 > 26801-94-5 $$$$ SciTegic05042114222D 14 16 0 0 1 0 999 V2000 -1.9662 0.3862 0.0000 O 0 0 2.4246 -2.0773 0.0000 O 0 0 3.0546 0.3862 0.0000 O 0 0 2.4401 2.8624 0.0000 O 0 0 2.0715 -0.9304 0.0000 C 0 0 0.5442 -0.4038 0.0000 C 0 0 2 0 0 0 -0.9831 -0.9304 0.0000 C 0 0 1 0 0 0 -0.1756 0.0000 0.0000 C 0 0 0.5442 1.2289 0.0000 C 0 0 2 0 0 0 -0.1756 1.0358 0.0000 C 0 0 -0.9831 1.7204 0.0000 C 0 0 2 0 0 0 2.0715 1.7204 0.0000 C 0 0 0.5442 -1.6038 0.0000 C 0 0 0.5442 2.4289 0.0000 C 0 0 7 1 1 6 11 1 1 6 2 5 2 0 3 5 1 0 3 12 1 0 4 12 2 0 5 6 1 0 6 7 1 0 6 9 1 0 6 13 1 1 7 8 1 0 8 10 1 0 9 11 1 0 9 12 1 0 9 14 1 1 10 11 1 0 M END > 61805 > 56-25-7 $$$$ SciTegic05042114222D 28 32 0 0 1 0 999 V2000 -1.9493 -1.2495 0.0000 N 0 0 -0.6660 -1.7781 0.0000 H 0 0 1.5396 2.0239 0.0000 H 0 0 0.4165 2.8656 0.0000 N 0 0 1.5328 3.8485 0.0000 C 0 0 3.2821 2.8989 0.0000 C 0 0 3.2821 1.3995 0.0000 C 0 0 2.0326 0.6831 0.0000 C 0 0 1 0 0 0 0.7331 1.4328 0.0000 C 0 0 2 0 0 0 -0.5665 0.6997 0.0000 C 0 0 1 0 0 0 2.0326 -0.7830 0.0000 C 0 0 -0.5665 -0.7830 0.0000 C 0 0 1 0 0 0 -1.9493 1.1329 0.0000 C 0 0 -2.5657 2.5157 0.0000 C 0 0 -4.0318 2.6323 0.0000 C 0 0 -2.7823 0.0000 0.0000 C 0 0 -4.8982 1.4328 0.0000 C 0 0 0.6997 -1.5161 0.0000 C 0 0 -4.2817 0.1000 0.0000 C 0 0 -1.0329 3.0488 0.0000 C 0 0 -1.6660 1.6994 0.0000 C 0 0 -5.1417 -1.1299 0.0000 O 0 0 -6.3372 -1.0267 0.0000 C 0 0 -2.4280 -2.6688 0.0000 C 0 0 -3.6043 -2.9061 0.0000 O 0 0 -1.6347 -3.5691 0.0000 C 0 0 2.0334 2.1839 0.0000 C 0 0 3.0728 2.7836 0.0000 C 0 0 1 12 1 0 1 16 1 0 1 24 1 0 12 2 1 6 9 3 1 1 4 5 1 0 4 9 1 0 4 20 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 11 1 0 8 27 1 1 9 10 1 0 10 21 1 6 10 12 1 0 10 13 1 0 11 18 1 0 12 18 1 0 13 16 2 0 13 14 1 0 14 15 2 0 15 17 1 0 16 19 1 0 17 19 2 0 19 22 1 0 20 21 1 0 22 23 1 0 24 25 2 0 24 26 1 0 27 28 1 0 M END > 61811 > 466-49-9 $$$$ SciTegic05042114222D 29 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -0.2851 7.4666 0.0000 C 0 0 -1.7759 7.6329 0.0000 C 0 0 -2.3947 6.2665 0.0000 C 0 0 0.0000 -2.7000 0.0000 O 0 0 1.0392 2.1000 0.0000 C 0 0 0.9769 6.6969 0.0000 C 0 0 1.9001 8.3069 0.0000 C 0 0 0.7291 8.5693 0.0000 C 0 0 0.2815 10.0018 0.0000 C 0 0 3.1214 9.6345 0.0000 C 0 0 1.2976 11.1063 0.0000 C 0 0 2.7624 10.7796 0.0000 C 0 0 3.7785 11.8841 0.0000 C 0 0 4.9497 11.6229 0.0000 C 0 0 3.4195 13.0292 0.0000 C 0 0 1 3 1 0 1 2 1 0 2 4 1 0 2 18 1 0 3 5 1 0 4 6 1 0 5 8 1 0 5 6 1 0 5 19 1 0 6 9 2 0 7 12 1 0 7 8 1 0 8 10 1 0 9 11 1 0 10 14 1 0 10 11 2 0 12 13 1 0 13 15 1 0 13 14 1 0 13 20 1 0 14 17 1 0 15 16 1 0 15 22 1 0 16 17 1 0 21 22 1 0 22 23 1 0 23 25 2 0 24 26 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 M END > 62791 $$$$ SciTegic05042114222D 15 16 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.3577 3.7096 0.0000 H 0 0 -0.3115 2.9665 0.0000 N 0 0 -2.4133 1.7530 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 N 0 0 2.5984 2.7004 0.0000 C 0 0 2.5988 1.5004 0.0000 S 0 0 3.6384 0.9011 0.0000 O 0 0 3.6377 2.1009 0.0000 O 0 0 1 6 2 0 1 10 1 0 2 10 2 0 2 8 1 0 3 4 1 0 4 7 1 0 4 9 1 0 5 9 2 0 5 8 1 0 6 7 1 0 6 13 1 0 7 8 2 0 10 11 1 0 12 13 1 0 13 14 2 0 13 15 2 0 M END > 63446 > 82499-04-5 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -4.3570 0.0307 0.0000 O 0 0 -2.4133 1.7530 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -0.3115 2.9665 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -5.0460 2.3579 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -5.8565 0.0701 0.0000 C 0 0 -6.3055 -2.2283 0.0000 O 0 0 2.3383 1.3500 0.0000 N 0 0 -7.4135 1.9091 0.0000 O 0 0 -6.7662 -1.1203 0.0000 C 0 0 -5.0071 3.5572 0.0000 O 0 0 0.6913 4.0797 0.0000 C 0 0 1.4944 4.9713 0.0000 N 0 0 1 5 2 0 1 10 1 0 2 10 2 0 2 9 1 0 3 11 1 0 3 14 1 0 4 8 1 0 4 9 1 0 4 11 1 0 5 6 1 0 5 16 1 0 6 9 2 0 6 7 1 0 7 8 2 0 7 20 1 0 11 12 1 0 12 13 1 0 12 19 1 0 13 14 1 0 13 17 1 0 14 18 1 0 15 18 1 0 20 21 3 0 M END > 63701 > 606-58-6 $$$$ SciTegic05042114222D 17 18 0 0 0 0 999 V2000 2.7343 -2.9815 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.0971 -5.6353 0.0000 O 0 0 4.8054 -4.6666 0.0000 C 0 0 6.1467 -1.8742 0.0000 O 0 0 4.1955 0.2934 0.0000 O 0 0 -2.3383 1.3500 0.0000 N 0 0 1 9 1 0 1 12 1 0 2 7 1 0 2 8 1 0 2 9 1 0 3 5 2 0 3 8 1 0 4 8 2 0 5 6 1 0 5 17 1 0 6 7 2 0 9 10 1 0 10 11 1 0 10 16 1 0 11 12 1 0 11 15 1 0 12 14 1 0 13 14 1 0 M END > 63878 > 69-74-9 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -5.8565 0.0701 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -4.3570 0.0307 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -0.3115 2.9665 0.0000 N 0 0 -5.0460 2.3579 0.0000 C 0 0 -2.4133 1.7530 0.0000 N 0 0 -1.8032 3.1233 0.0000 C 0 0 -7.9607 -0.9580 0.0000 O 0 0 2.3383 1.3500 0.0000 N 0 0 -6.7712 -1.1165 0.0000 C 0 0 -5.0071 3.5572 0.0000 O 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 9 1 0 3 16 1 0 4 8 1 0 5 7 1 0 5 6 1 0 5 17 1 0 6 12 1 0 7 10 1 0 8 9 2 0 8 13 1 0 9 11 1 0 10 12 1 0 10 13 1 0 11 14 2 0 12 18 1 0 13 14 1 0 15 17 1 0 M END > 63984 > 73-03-0 $$$$ SciTegic05042114222D 44 46 0 0 0 0 999 V2000 -0.3114 -2.9665 0.0000 N 0 0 -2.4133 -1.7530 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2935 3.7495 0.0000 O 0 0 -2.5848 6.0040 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -4.9329 3.1621 0.0000 O 0 0 -2.5973 1.5031 0.0000 N 0 0 -4.9235 5.8620 0.0000 O 0 0 0.0156 5.9928 0.0000 C 0 0 0.0218 7.1927 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 -2.5827 7.5048 0.0000 N 0 0 -3.8809 8.2579 0.0000 C 0 0 -4.9211 7.6596 0.0000 O 0 0 -3.8788 9.7587 0.0000 C 0 0 -5.1770 10.5117 0.0000 N 0 0 -5.1750 12.0125 0.0000 C 0 0 -4.1347 12.6108 0.0000 O 0 0 -6.4732 12.7656 0.0000 C 0 0 -6.4711 14.2664 0.0000 C 0 0 -7.7693 15.0195 0.0000 C 0 0 -7.7672 16.5203 0.0000 C 0 0 -9.0655 17.2733 0.0000 C 0 0 -9.0634 18.7741 0.0000 C 0 0 -10.3616 19.5272 0.0000 C 0 0 -10.3595 21.0280 0.0000 C 0 0 -11.6578 21.7810 0.0000 C 0 0 -11.6557 23.2819 0.0000 C 0 0 -12.9539 24.0349 0.0000 C 0 0 -12.9518 25.5357 0.0000 C 0 0 -14.2500 26.2888 0.0000 C 0 0 -14.2484 27.4888 0.0000 C 0 0 -15.2903 25.6906 0.0000 C 0 0 1.3116 5.2360 0.0000 C 0 0 2.3542 5.8303 0.0000 O 0 0 1 12 2 0 1 13 1 0 2 13 2 0 2 11 1 0 3 14 2 0 3 12 1 0 4 6 1 0 4 9 1 0 5 6 1 0 5 7 1 0 5 21 1 0 6 18 1 0 7 8 1 0 7 17 1 0 8 9 1 0 8 15 1 0 9 16 1 0 10 11 2 0 10 16 1 0 10 20 1 0 11 12 1 0 14 20 1 0 18 19 1 0 18 43 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 43 44 1 0 M END > 65104 > 62362-59-8 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -4.3570 0.0307 0.0000 O 0 0 -2.4133 1.7530 0.0000 N 0 0 -0.3115 2.9665 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -5.0460 2.3579 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -5.8565 0.0701 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 -6.3055 -2.2283 0.0000 O 0 0 -6.7662 -1.1203 0.0000 C 0 0 -7.4135 1.9091 0.0000 O 0 0 0.6890 4.0818 0.0000 C 0 0 0.3167 5.2226 0.0000 O 0 0 1.8631 3.8341 0.0000 N 0 0 -5.0071 3.5572 0.0000 O 0 0 1 8 2 0 1 10 1 0 2 10 2 0 2 9 1 0 3 11 1 0 3 14 1 0 4 7 1 0 4 9 1 0 4 11 1 0 5 7 2 0 5 6 1 0 5 19 1 0 6 9 2 0 6 8 1 0 8 15 1 0 11 12 1 0 12 13 1 0 12 22 1 0 13 14 1 0 13 18 1 0 14 17 1 0 16 17 1 0 19 20 2 0 19 21 1 0 M END > 65346 > 18417-89-5 $$$$ SciTegic05042114222D 8 7 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 O 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 -0.7500 0.0000 C 0 0 6.2394 -0.9003 0.0000 O 0 0 5.2000 -1.5000 0.0000 C 0 0 1.3000 1.9500 0.0000 N 0 0 5.2000 -2.7000 0.0000 N 0 0 1 3 1 0 1 2 2 0 1 7 1 0 3 4 3 0 4 6 1 0 5 6 2 0 6 8 1 0 M END > 65381 > 543-21-5 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -0.3115 2.9665 0.0000 N 0 0 -4.3570 0.0307 0.0000 O 0 0 -2.4133 1.7530 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -5.0460 2.3579 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -5.8565 0.0701 0.0000 C 0 0 -5.0071 3.5572 0.0000 O 0 0 -7.4135 1.9091 0.0000 O 0 0 -6.7662 -1.1203 0.0000 C 0 0 -6.3055 -2.2283 0.0000 O 0 0 1 6 2 0 1 10 1 0 2 10 2 0 2 8 1 0 3 9 2 0 3 7 1 0 4 11 1 0 4 14 1 0 5 8 1 0 5 9 1 0 5 11 1 0 6 7 1 0 7 8 2 0 11 12 1 0 12 13 1 0 12 15 1 0 13 14 1 0 13 16 1 0 14 17 1 0 17 18 1 0 M END > 65423 > 550-33-4 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 1.2990 3.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8994 3.7478 0.0000 N 0 0 5.1980 2.9955 0.0000 C 0 0 5.1960 1.7955 0.0000 O 0 0 6.4993 3.7432 0.0000 C 0 0 7.5377 3.1418 0.0000 Cl 0 0 6.5014 4.9432 0.0000 Cl 0 0 1 15 2 0 2 8 1 0 2 15 1 0 3 5 2 0 3 4 1 0 4 6 2 0 4 16 1 0 5 7 1 0 6 8 1 0 7 8 2 0 7 9 1 0 9 12 2 0 9 10 1 0 10 11 2 0 11 13 1 0 12 14 1 0 12 15 1 0 13 14 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 M END > 65937 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 66300 $$$$ SciTegic05042114222D 12 12 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 N 0 0 -2.3383 1.3500 0.0000 Cl 0 0 0.0000 1.5000 0.0000 N 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -4.9395 -1.3434 0.0000 C 0 0 1 6 1 0 2 9 2 0 2 6 1 0 3 8 1 0 4 8 2 0 4 9 1 0 5 9 1 0 6 7 2 0 7 8 1 0 7 10 1 0 10 11 1 0 11 12 1 0 M END > 66914 > 58-81-1 $$$$ SciTegic05042114222D 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 $$$$ SciTegic05042114222D 31 33 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 5.1969 1.5046 0.0000 C 0 0 3.8990 0.7525 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.3021 -5.2508 0.0000 O 0 0 -2.3422 -5.8494 0.0000 C 0 0 -3.8994 -3.7478 0.0000 O 0 0 -4.9377 -3.1463 0.0000 C 0 0 1.2982 -3.7531 0.0000 O 0 0 1.2965 -4.9531 0.0000 C 0 0 -3.8994 -0.7523 0.0000 O 0 0 -4.9378 -1.3538 0.0000 C 0 0 6.4963 0.7536 0.0000 O 0 0 6.4965 -0.4464 0.0000 C 0 0 6.4915 3.7597 0.0000 O 0 0 6.4879 4.9597 0.0000 C 0 0 3.8888 5.2533 0.0000 O 0 0 2.8478 5.8502 0.0000 C 0 0 1 11 2 0 2 9 1 0 2 15 1 0 3 5 2 0 3 4 1 0 3 26 1 0 4 7 2 0 5 6 1 0 5 28 1 0 6 8 2 0 6 30 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 15 2 0 12 17 1 0 13 14 2 0 13 15 1 0 13 22 1 0 14 16 1 0 14 18 1 0 16 17 2 0 16 20 1 0 17 24 1 0 18 19 1 0 20 21 1 0 22 23 1 0 24 25 1 0 26 27 1 0 28 29 1 0 30 31 1 0 M END > 67580 > 6965-36-2 $$$$ SciTegic05042114222D 31 35 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 0.5701 -4.1788 0.0000 C 0 0 -0.0400 -5.5491 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -1.5318 -5.7059 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -2.4135 -4.4924 0.0000 C 0 0 -4.2511 -8.6003 0.0000 C 0 0 -5.7429 -8.7571 0.0000 C 0 0 -3.3695 -9.8139 0.0000 C 0 0 -6.6251 -7.5430 0.0000 C 0 0 -8.1167 -7.7021 0.0000 C 0 0 -9.0002 -6.4899 0.0000 C 0 0 -8.3923 -5.1186 0.0000 C 0 0 -6.0172 -6.1716 0.0000 C 0 0 -6.3531 -10.1274 0.0000 C 0 0 -3.9796 -11.1842 0.0000 C 0 0 -6.9008 -4.9595 0.0000 C 0 0 -5.4714 -11.3410 0.0000 C 0 0 -2.1450 -7.0757 0.0000 N 0 0 -3.6379 -7.2305 0.0000 C 0 0 -4.3415 -6.2584 0.0000 O 0 0 -4.5251 -6.0093 0.0000 C 0 0 -4.0404 -4.9115 0.0000 O 0 0 -3.8165 -6.9777 0.0000 O 0 0 1 3 2 0 1 2 1 0 2 5 2 0 2 6 1 0 3 4 1 0 4 11 2 0 5 12 1 0 5 11 1 0 6 9 2 0 6 7 1 0 7 8 2 0 8 10 1 0 9 12 1 0 9 13 1 0 10 13 2 0 10 26 1 0 14 15 2 0 14 16 1 0 14 27 1 0 15 17 1 0 15 22 1 0 16 23 2 0 17 21 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 24 2 0 21 24 1 0 21 29 1 0 22 25 2 0 23 25 1 0 26 27 1 0 27 28 2 0 29 30 2 0 29 31 1 0 M END > 67690 > 6954-59-2 $$$$ SciTegic05042114222D 53 59 0 0 1 0 999 V2000 -2.3979 0.6673 0.0000 H 0 0 -1.3609 0.3253 0.0000 C 0 0 -0.9689 1.4923 0.0000 N 0 0 -0.1889 -1.8076 0.0000 O 0 0 3.6360 -2.1886 0.0000 H 0 0 4.3580 -1.7276 0.0000 N 0 0 -1.6909 2.7413 0.0000 C 0 0 -2.4129 2.3253 0.0000 C 0 0 -0.9689 2.3253 0.0000 C 0 0 -3.1339 2.7413 0.0000 C 0 0 -3.8559 2.3253 0.0000 C 0 0 -2.4129 1.4923 0.0000 C 0 0 -3.8559 1.4923 0.0000 C 0 0 -3.1339 1.0753 0.0000 C 0 0 -1.6909 1.0753 0.0000 C 0 0 2 0 0 0 3.6360 1.2313 0.0000 C 0 0 4.3580 0.8153 0.0000 C 0 0 2.9149 0.8153 0.0000 C 0 0 4.3580 -0.0176 0.0000 C 0 0 2.9149 -0.0176 0.0000 C 0 0 5.0799 -0.4786 0.0000 C 0 0 3.6360 -0.4346 0.0000 C 0 0 2.1929 -0.4346 0.0000 C 0 0 1.4720 -0.0176 0.0000 C 0 0 0.7510 -0.4346 0.0000 C 0 0 5.0799 -1.3116 0.0000 C 0 0 3.6360 -1.2676 0.0000 C 0 0 2 0 0 0 2.1929 -1.2676 0.0000 C 0 0 0.7510 -1.2676 0.0000 C 0 0 2.9149 -1.6846 0.0000 C 0 0 1.4720 -1.6846 0.0000 C 0 0 -1.8429 -0.4956 0.0000 C 0 0 -1.4270 -1.2176 0.0000 C 0 0 -2.6760 -0.4956 0.0000 C 0 0 -3.0919 -1.2176 0.0000 C 0 0 -1.8429 -1.9396 0.0000 C 0 0 -2.6760 -1.9396 0.0000 C 0 0 -4.5390 2.7193 0.0000 O 0 0 -5.2576 2.3041 0.0000 C 0 0 -4.5699 1.0793 0.0000 O 0 0 -5.2891 1.4937 0.0000 C 0 0 -3.9519 -1.2176 0.0000 O 0 0 -4.3669 -0.4988 0.0000 C 0 0 -3.1110 -2.6946 0.0000 O 0 0 -3.9409 -2.6953 0.0000 C 0 0 0.0529 -0.0316 0.0000 O 0 0 -0.6658 -0.4466 0.0000 C 0 0 -0.1829 1.0473 0.0000 C 0 0 2.2220 1.2153 0.0000 O 0 0 1.5032 0.8002 0.0000 C 0 0 3.6360 2.0183 0.0000 O 0 0 2.9171 2.4333 0.0000 C 0 0 4.3580 -2.6106 0.0000 C 0 0 15 1 1 6 15 2 1 0 2 32 1 0 3 9 1 0 3 15 1 0 3 48 1 0 4 29 1 0 4 33 1 0 27 5 1 6 6 26 1 0 6 27 1 0 6 53 1 0 7 8 1 0 7 9 1 0 8 12 2 0 8 10 1 0 10 11 2 0 11 13 1 0 11 38 1 0 12 14 1 0 12 15 1 0 13 14 2 0 13 40 1 0 16 18 2 0 16 17 1 0 16 51 1 0 17 19 2 0 18 20 1 0 18 49 1 0 19 21 1 0 19 22 1 0 20 22 2 0 20 23 1 0 21 26 1 0 22 27 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 29 1 0 25 46 1 0 27 30 1 0 28 31 1 0 28 30 1 0 29 31 2 0 32 34 2 0 32 33 1 0 33 36 2 0 34 35 1 0 35 37 2 0 35 42 1 0 36 37 1 0 37 44 1 0 38 39 1 0 40 41 1 0 42 43 1 0 44 45 1 0 46 47 1 0 49 50 1 0 51 52 1 0 M END > 68075 > 5373-42-2 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 68093 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -3.7124 4.0030 0.0000 N 0 0 -4.6905 3.7950 0.0000 H 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.6105 5.2165 0.0000 C 0 0 -3.7125 6.7423 0.0000 C 0 0 -2.8308 7.9559 0.0000 C 0 0 -3.1023 5.3733 0.0000 C 0 0 -1.3391 7.7991 0.0000 C 0 0 -0.7290 6.4288 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.6373 0.9000 0.0000 C 0 0 1.0392 3.6000 0.0000 C 0 0 -0.4544 9.0115 0.0000 O 0 0 0.7388 8.8843 0.0000 C 0 0 1 18 2 0 1 8 1 0 2 5 1 0 2 15 1 0 2 3 1 0 4 6 2 0 4 5 1 0 4 19 1 0 5 9 2 0 6 7 1 0 6 10 1 0 7 8 2 0 9 11 1 0 9 12 1 0 10 11 2 0 10 18 1 0 11 20 1 0 12 15 2 0 12 17 1 0 13 14 2 0 13 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 21 22 1 0 M END > 69187 > 10371-86-5 $$$$ SciTegic05042114222D 14 13 0 0 0 0 999 V2000 0.2606 0.1503 0.0000 N 0 0 1.3000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 N 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 N 0 0 12.9999 0.0000 0.0000 C 0 0 14.2999 0.7500 0.0000 C 0 0 15.5999 0.0000 0.0000 C 0 0 16.6393 0.5997 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 M END > 69852 > 306-67-2 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 4.7578 4.4622 0.0000 C 0 0 3.3718 5.0359 0.0000 C 0 0 2.3979 3.8950 0.0000 C 0 0 4.6405 2.9668 0.0000 O 0 0 3.1884 2.6409 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 -1.2135 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 7.0906 4.6689 0.0000 O 0 0 3.0913 6.2026 0.0000 O 0 0 6.0367 5.2427 0.0000 C 0 0 1.2010 3.9815 0.0000 O 0 0 0.0000 -2.7000 0.0000 N 0 0 1 4 1 0 1 2 1 0 1 17 1 0 2 3 1 0 2 16 1 0 3 5 1 0 3 18 1 0 4 5 1 0 5 6 1 0 6 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 11 14 2 0 12 13 2 0 12 19 1 0 13 14 1 0 15 17 1 0 M END > 70422 > 3228-71-5 $$$$ SciTegic05042114222D 57 63 0 0 1 0 999 V2000 6.1500 3.5900 0.0000 O 0 0 4.4820 5.2241 0.0000 H 0 0 3.5400 3.6500 0.0000 O 0 0 0.6928 -1.9091 0.0000 O 0 0 0.9419 3.4384 0.0000 O 0 0 -7.1858 -1.9038 0.0000 O 0 0 -4.5901 -1.9906 0.0000 O 0 0 6.4700 5.1200 0.0000 C 0 0 1 0 0 0 7.7000 4.3800 0.0000 C 0 0 1 0 0 0 4.9300 4.3300 0.0000 C 0 0 2 0 0 0 7.6700 2.8400 0.0000 C 0 0 2 0 0 0 6.1100 1.9700 0.0000 C 0 0 2 0 0 0 4.7900 1.2600 0.0000 C 0 0 -4.4100 2.4600 0.0000 C 0 0 2 0 0 0 -3.1300 1.6700 0.0000 C 0 0 -5.7600 1.8100 0.0000 C 0 0 1 0 0 0 -1.7600 2.3700 0.0000 C 0 0 -0.4800 1.5300 0.0000 C 0 0 0.8800 2.2400 0.0000 C 0 0 2.1500 1.4000 0.0000 C 0 0 3.5200 2.1000 0.0000 C 0 0 -3.2100 0.1600 0.0000 C 0 0 -0.5600 0.0300 0.0000 C 0 0 2.0400 -0.1000 0.0000 C 0 0 4.7000 -0.2400 0.0000 C 0 0 -5.8600 0.3000 0.0000 C 0 0 -1.8900 -0.5600 0.0000 C 0 0 -4.5400 -0.4900 0.0000 C 0 0 2 0 0 0 0.7400 -0.7100 0.0000 C 0 0 3.3800 -0.8500 0.0000 C 0 0 -5.9135 -2.6984 0.0000 C 0 0 -5.9656 -4.1975 0.0000 C 0 0 -7.2899 -4.9020 0.0000 C 0 0 -8.5101 -2.6083 0.0000 C 0 0 -8.5621 -4.1074 0.0000 C 0 0 8.9981 5.1335 0.0000 N 0 0 8.9956 6.3335 0.0000 C 0 0 10.0388 4.5360 0.0000 C 0 0 8.6988 2.2222 0.0000 O 0 0 6.5106 6.3193 0.0000 O 0 0 5.5335 3.0225 0.0000 C 0 0 3.3336 -2.0491 0.0000 O 0 0 -9.8886 -4.8096 0.0000 O 0 0 -10.9055 -4.1725 0.0000 C 0 0 -8.6136 -5.5649 0.0000 O 0 0 -9.6316 -4.9297 0.0000 C 0 0 -1.9391 -1.7590 0.0000 O 0 0 -6.2568 -5.5125 0.0000 C 0 0 -9.5279 -1.9726 0.0000 C 0 0 -4.6910 -4.9900 0.0000 O 0 0 -3.6324 -4.4249 0.0000 C 0 0 -4.3304 3.9593 0.0000 C 0 0 -5.3365 4.6132 0.0000 O 0 0 -2.9931 4.6406 0.0000 O 0 0 -2.9295 5.8389 0.0000 C 0 0 -5.6477 3.0047 0.0000 C 0 0 -6.8265 1.2599 0.0000 O 0 0 1 10 1 0 1 12 1 0 10 2 1 1 3 10 1 0 3 21 1 0 4 29 2 0 5 19 2 0 6 31 1 0 6 34 1 0 28 7 1 1 7 31 1 0 8 9 1 0 8 10 1 0 8 40 1 1 9 11 1 0 9 36 1 6 11 12 1 0 11 39 1 1 12 13 1 0 12 41 1 1 13 21 2 0 13 25 1 0 14 15 1 0 14 16 1 0 14 52 1 6 15 22 2 0 15 17 1 0 16 26 1 0 16 56 1 1 16 57 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 1 0 20 24 2 0 20 21 1 0 22 27 1 0 22 28 1 0 23 27 2 0 23 29 1 0 24 30 1 0 24 29 1 0 25 30 2 0 26 28 1 0 27 47 1 0 30 42 1 0 31 32 1 0 32 33 1 0 32 50 1 0 33 35 1 0 33 45 1 0 33 48 1 0 34 35 1 0 34 49 1 0 35 43 1 0 36 37 1 0 36 38 1 0 43 44 1 0 45 46 1 0 50 51 1 0 52 53 2 0 52 54 1 0 54 55 1 0 M END > 70845 > 1404-15-5 $$$$ SciTegic05042114222D 54 61 0 0 0 0 999 V2000 3.9003 -9.7504 0.0000 O 0 0 6.5307 1.7088 0.0000 O 0 0 -2.6000 -7.5025 0.0000 O 0 0 2.3383 -3.1500 0.0000 O 0 0 3.2349 0.2688 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 -2.3383 -5.8500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 2.5987 1.5006 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.9834 1.5686 0.0000 C 0 0 5.2639 2.3514 0.0000 C 0 0 6.3875 3.2019 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 -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 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 1.2991 -3.7500 0.0000 C 0 0 1.2991 -5.2500 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 0.0000 -6.0000 0.0000 C 0 0 2.5981 -6.0000 0.0000 C 0 0 2.5981 -7.5000 0.0000 C 0 0 0.0000 -7.5000 0.0000 C 0 0 3.8978 -8.2504 0.0000 C 0 0 1.2991 -8.2500 0.0000 C 0 0 5.1957 -7.4984 0.0000 C 0 0 6.4960 -8.2463 0.0000 C 0 0 5.2005 -10.4984 0.0000 C 0 0 6.4983 -9.7463 0.0000 C 0 0 -1.2997 -8.2504 0.0000 C 0 0 -1.2974 -9.7504 0.0000 C 0 0 -2.5952 -10.5025 0.0000 C 0 0 -3.8978 -8.2546 0.0000 C 0 0 -3.8955 -9.7546 0.0000 C 0 0 7.5385 -10.3446 0.0000 O 0 0 6.4572 -6.7664 0.0000 N 0 0 5.4172 -6.1676 0.0000 C 0 0 7.4955 -6.1648 0.0000 C 0 0 5.2024 -11.6984 0.0000 C 0 0 7.5212 -8.8700 0.0000 C 0 0 -4.9337 -10.3562 0.0000 O 0 0 6.8698 4.3007 0.0000 C 0 0 -4.9380 -7.6562 0.0000 C 0 0 -2.5898 -12.0033 0.0000 N 0 0 -1.5487 -12.6002 0.0000 C 0 0 -3.6270 -12.6068 0.0000 C 0 0 3.6373 -5.4000 0.0000 O 0 0 2.5962 2.7006 0.0000 C 0 0 -3.6373 -0.9000 0.0000 C 0 0 1 29 1 0 1 33 1 0 2 12 1 0 2 13 1 0 3 35 1 0 3 38 1 0 4 22 2 0 5 9 1 0 5 11 1 0 6 10 1 0 6 18 1 0 7 24 2 0 8 15 2 0 9 10 1 0 9 11 1 0 9 53 1 0 10 14 2 0 11 12 1 0 12 13 1 0 13 47 1 0 14 15 1 0 15 16 1 0 16 18 2 0 16 17 1 0 17 20 2 0 17 54 1 0 18 19 1 0 19 21 2 0 19 22 1 0 20 21 1 0 21 24 1 0 22 23 1 0 23 25 2 0 23 26 1 0 24 25 1 0 25 28 1 0 26 27 2 0 26 52 1 0 27 29 1 0 27 30 1 0 28 30 2 0 28 35 1 0 29 31 1 0 31 32 1 0 32 34 1 0 32 41 1 0 32 45 1 0 33 34 1 0 33 44 1 0 34 40 1 0 35 36 1 0 36 37 1 0 37 39 1 0 37 49 1 0 38 39 1 0 38 48 1 0 39 46 1 0 41 42 1 0 41 43 1 0 49 50 1 0 49 51 1 0 M END > 70929 > 11048-97-8 $$$$ SciTegic05042114222D 29 31 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 3.8991 0.7525 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.3021 -5.2508 0.0000 O 0 0 -2.3422 -5.8494 0.0000 C 0 0 -3.8994 -3.7478 0.0000 O 0 0 -4.9377 -3.1463 0.0000 C 0 0 1.2982 -3.7531 0.0000 O 0 0 1.2965 -4.9531 0.0000 C 0 0 -3.8994 -0.7523 0.0000 O 0 0 -4.9378 -1.3538 0.0000 C 0 0 3.8888 5.2533 0.0000 O 0 0 2.8478 5.8502 0.0000 C 0 0 3.9046 -0.7483 0.0000 O 0 0 4.9457 -1.3451 0.0000 C 0 0 1 11 2 0 2 8 1 0 2 14 1 0 3 4 2 0 3 5 1 0 3 28 1 0 4 7 1 0 4 8 1 0 5 6 2 0 6 10 1 0 7 10 2 0 8 9 2 0 9 11 1 0 10 26 1 0 11 12 1 0 12 14 2 0 12 17 1 0 13 15 2 0 13 14 1 0 13 22 1 0 15 16 1 0 15 18 1 0 16 17 2 0 16 20 1 0 17 24 1 0 18 19 1 0 20 21 1 0 22 23 1 0 24 25 1 0 26 27 1 0 28 29 1 0 M END > 71300 > 70460-30-9 $$$$ SciTegic05042114222D 33 35 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5860 6.0175 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.2908 5.2610 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5784 7.5175 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0196 7.5044 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -0.0122 6.0043 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2756 8.2609 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3092 5.2494 0.0000 C 0 0 -2.6108 5.9949 0.0000 C 0 0 -3.9021 3.7404 0.0000 C 0 0 -2.5988 -1.5004 0.0000 C 0 0 1.2680 9.7617 0.0000 C 0 0 -2.6191 7.4957 0.0000 N 0 0 -5.2008 2.9882 0.0000 N 0 0 -2.6005 2.9949 0.0000 N 0 0 -3.9073 5.2404 0.0000 N 0 0 -2.5995 -2.7004 0.0000 F 0 0 -3.6378 -0.9001 0.0000 F 0 0 -3.6383 -2.0999 0.0000 F 0 0 2.3038 10.3676 0.0000 F 0 0 0.2255 10.3561 0.0000 F 0 0 1.2613 10.9617 0.0000 F 0 0 -3.4876 7.9915 0.0000 H 0 0 -1.7557 8.0002 0.0000 H 0 0 -6.0678 3.4864 0.0000 H 0 0 -5.1991 1.9882 0.0000 H 0 0 1 3 2 0 1 5 1 0 2 4 2 0 2 6 1 0 3 10 1 0 4 11 1 0 5 12 2 0 6 13 2 0 7 10 2 0 7 12 1 0 8 11 2 0 8 13 1 0 9 10 1 0 9 14 1 0 11 15 1 0 12 18 1 0 13 19 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 20 1 0 16 23 2 0 17 21 1 0 17 22 2 0 17 23 1 0 18 24 1 0 18 25 1 0 18 26 1 0 19 27 1 0 19 28 1 0 19 29 1 0 20 30 1 0 20 31 1 0 21 32 1 0 21 33 1 0 M END > 71669 > 1548-91-0 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 2.5000 0.0000 H 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -2.7000 0.0000 S 0 0 -4.5650 3.1910 0.0000 O 0 0 -2.7248 1.2135 0.0000 N 0 0 -2.7248 -1.2135 0.0000 N 0 0 -4.4475 4.6864 0.0000 C 0 0 -2.9890 5.0368 0.0000 C 0 0 -2.2051 3.7579 0.0000 C 0 0 -3.1884 2.6409 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 -6.7195 5.2546 0.0000 O 0 0 -5.5889 5.6569 0.0000 C 0 0 -2.5299 6.1455 0.0000 O 0 0 1 12 2 0 1 16 1 0 2 3 1 0 3 12 1 0 3 14 1 0 4 16 2 0 5 8 1 0 5 11 1 0 6 11 1 0 6 13 1 0 6 14 1 0 7 13 2 0 7 15 1 0 8 9 1 0 8 19 1 0 9 10 1 0 9 20 1 0 10 11 1 0 12 17 1 0 14 15 2 0 15 16 1 0 18 19 1 0 M END > 71851 > 2133-81-5 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 71948 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -0.3115 2.9665 0.0000 N 0 0 -4.3570 0.0307 0.0000 O 0 0 -2.4133 1.7530 0.0000 N 0 0 -1.8032 3.1233 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -5.0460 2.3579 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -5.8565 0.0701 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 -6.3055 -2.2283 0.0000 O 0 0 -6.7662 -1.1203 0.0000 C 0 0 -7.4135 1.9091 0.0000 O 0 0 -5.0071 3.5572 0.0000 O 0 0 1 7 2 0 1 10 1 0 2 10 2 0 2 9 1 0 3 6 2 0 3 8 1 0 4 11 1 0 4 14 1 0 5 6 1 0 5 9 1 0 5 11 1 0 7 8 1 0 7 15 1 0 8 9 2 0 11 12 1 0 12 13 1 0 12 19 1 0 13 14 1 0 13 18 1 0 14 17 1 0 16 17 1 0 M END > 72961 > 10299-44-2 $$$$ SciTegic05042114222D 31 34 0 0 0 0 999 V2000 -2.5973 1.5031 0.0000 N 0 0 -2.5951 3.0039 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -2.5943 6.0070 0.0000 C 0 0 -2.5943 7.5070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8933 8.2570 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 7.5070 0.0000 C 0 0 -3.8964 9.7578 0.0000 N 0 3 -2.8582 10.3596 0.0000 O 0 5 -4.9365 10.3564 0.0000 O 0 0 -5.1925 1.8070 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 -7.7912 6.0075 0.0000 S 0 0 -8.8308 5.4082 0.0000 O 0 0 -7.7908 7.2075 0.0000 O 0 0 -8.8301 6.6080 0.0000 O 0 0 1 2 2 0 1 11 1 0 2 13 1 0 3 5 2 0 3 4 1 0 4 9 2 0 4 6 1 0 5 8 1 0 6 7 2 0 7 10 1 0 8 11 2 0 8 27 1 0 9 12 1 0 9 11 1 0 10 12 2 0 13 14 2 0 13 15 1 0 14 18 1 0 14 26 1 0 15 19 2 0 15 16 1 0 16 17 2 0 17 20 1 0 18 21 2 0 19 21 1 0 19 22 1 0 20 22 2 0 20 23 1 0 21 28 1 0 23 24 1 0 23 25 2 0 28 29 2 0 28 30 2 0 28 31 1 0 M CHG 2 23 1 24 -1 M END > 73413 > 3618-58-4 $$$$ SciTegic05042114222D 36 39 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 C 0 0 1.0392 3.6000 0.0000 C 0 0 -6.4996 9.4477 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 6.0000 0.0000 C 0 0 -2.5981 7.5000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -3.8972 8.2500 0.0000 C 0 0 -5.1962 7.5000 0.0000 C 0 0 -5.1962 6.0000 0.0000 C 0 0 -6.4975 8.2477 0.0000 C 0 0 -3.8972 5.2500 0.0000 C 0 0 -1.2999 8.2531 0.0000 N 0 0 -2.5972 -1.5031 0.0000 O 0 0 -3.8994 0.7522 0.0000 O 0 0 -3.9003 9.7508 0.0000 O 0 0 -5.1969 4.4996 0.0000 O 0 0 -4.9364 3.1500 0.0000 O 0 0 -6.2354 5.4000 0.0000 O 0 0 -7.5359 7.6462 0.0000 O 0 0 -1.3014 9.2531 0.0000 H 0 0 -0.4330 7.7546 0.0000 H 0 0 -2.5958 -2.5031 0.0000 H 0 0 -4.7647 1.2535 0.0000 H 0 0 -4.7670 10.2496 0.0000 H 0 0 -6.0632 4.9990 0.0000 H 0 0 1 7 1 0 2 8 1 0 3 21 1 0 4 5 2 0 4 7 1 0 5 9 1 0 6 10 1 0 6 15 1 0 7 13 2 0 8 9 2 0 8 10 1 0 9 11 1 0 10 12 2 0 11 13 1 0 11 14 2 0 12 14 1 0 12 17 1 0 13 24 1 0 14 25 1 0 15 16 1 0 15 22 1 0 16 18 1 0 16 23 1 0 17 22 1 0 17 28 2 0 18 19 2 0 18 26 1 0 19 20 1 0 19 21 1 0 20 22 1 0 20 29 2 0 21 30 2 0 22 27 1 0 23 31 1 0 23 32 1 0 24 33 1 0 25 34 1 0 26 35 1 0 27 36 1 0 M END > 73495 $$$$ SciTegic05042114222D 16 17 0 0 0 0 999 V2000 0.0000 2.7000 0.0000 Cl 0 0 0.0002 -3.0009 0.0000 C 0 0 2.7206 -3.7111 0.0000 C 0 0 1.2997 -3.7519 0.0000 C 0 0 1.9661 -5.0075 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3012 -3.7485 0.0000 N 0 0 -2.5998 -2.9961 0.0000 N 0 0 -3.9012 -3.7437 0.0000 C 0 0 -3.9034 -4.9437 0.0000 N 0 0 -4.9395 -3.1421 0.0000 N 0 0 1 10 1 0 2 4 1 0 2 8 1 0 2 12 2 0 3 4 1 0 3 5 1 0 4 5 1 0 6 7 2 0 6 8 1 0 7 10 1 0 8 9 2 0 9 11 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 M END > 74420 $$$$ SciTegic05042114222D 64 70 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 N 0 0 2.5951 -3.0039 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -3.7571 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 6.4915 -5.2571 0.0000 C 0 0 -1.2998 3.7504 0.0000 S 0 0 1.2990 3.7500 0.0000 C 0 0 3.8978 3.7504 0.0000 S 0 0 7.7928 -6.0048 0.0000 C 0 0 -2.3394 3.1511 0.0000 O 0 0 -1.2994 4.9504 0.0000 O 0 0 -2.3387 4.3509 0.0000 O 0 0 4.9374 3.1511 0.0000 O 0 0 3.8974 4.9504 0.0000 O 0 0 4.9367 4.3509 0.0000 O 0 0 9.0914 -5.2526 0.0000 N 0 0 7.7948 -7.2048 0.0000 O 0 0 10.3927 -6.0004 0.0000 C 0 0 11.6918 -5.2504 0.0000 C 0 0 10.3928 -7.5004 0.0000 C 0 0 12.9909 -6.0004 0.0000 C 0 0 11.6918 -8.2504 0.0000 C 0 0 12.9909 -7.5004 0.0000 C 0 0 14.2891 -8.2535 0.0000 S 0 0 14.2870 -9.7543 0.0000 C 0 0 15.5834 -10.5089 0.0000 C 0 0 12.9853 -10.4999 0.0000 C 0 0 15.5782 -12.0089 0.0000 C 0 0 12.9801 -11.9999 0.0000 C 0 0 14.2766 -12.7544 0.0000 C 0 0 14.2683 -14.2552 0.0000 N 0 0 12.9649 -14.9993 0.0000 N 0 0 12.9566 -16.5001 0.0000 C 0 0 11.6550 -17.2457 0.0000 C 0 0 14.2531 -17.2547 0.0000 C 0 0 11.6498 -18.7457 0.0000 C 0 0 10.3586 -16.4911 0.0000 C 0 0 15.2944 -16.6583 0.0000 O 0 0 14.2478 -18.7547 0.0000 C 0 0 12.9462 -19.5002 0.0000 C 0 0 10.3481 -19.4911 0.0000 C 0 0 9.0569 -17.2366 0.0000 C 0 0 15.5450 -19.5096 0.0000 S 0 0 9.0517 -18.7366 0.0000 C 0 0 16.5867 -18.9139 0.0000 O 0 0 15.5404 -20.7096 0.0000 O 0 0 16.5818 -20.1137 0.0000 O 0 0 7.7494 -19.4825 0.0000 S 0 0 7.7444 -20.6825 0.0000 O 0 0 6.7124 -18.8786 0.0000 O 0 0 6.7078 -20.0784 0.0000 O 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 3 2 0 6 3 1 0 7 4 2 0 8 4 1 0 9 5 1 0 10 5 1 0 11 6 1 0 12 6 2 0 13 7 1 0 14 8 2 0 15 9 1 0 16 9 2 0 16 12 1 0 17 10 2 0 18 13 2 0 18 14 1 0 19 15 1 0 20 15 2 0 20 17 1 0 21 17 1 0 22 18 1 0 23 19 2 0 24 19 2 0 25 19 1 0 26 21 2 0 27 21 2 0 28 21 1 0 29 22 1 0 30 22 2 0 31 29 1 0 32 31 2 0 33 31 1 0 34 32 1 0 35 33 2 0 36 34 2 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 2 0 40 38 1 0 41 39 1 0 42 40 2 0 43 41 2 0 43 42 1 0 44 43 1 0 45 44 2 0 46 45 1 0 47 46 2 0 48 46 1 0 49 47 1 0 50 47 1 0 51 48 1 0 52 48 2 0 53 49 2 0 53 52 1 0 54 49 1 0 55 50 2 0 56 52 1 0 57 54 2 0 57 55 1 0 58 56 2 0 59 56 2 0 60 56 1 0 61 57 1 0 62 61 2 0 63 61 2 0 64 61 1 0 M END > 76027 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 76455 > 1404-20-2 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 0.3578 -3.7096 0.0000 H 0 0 -0.3114 -2.9665 0.0000 N 0 0 -5.8480 -4.7648 0.0000 N 0 0 -8.4563 -3.9265 0.0000 C 0 0 -9.3418 -2.7157 0.0000 C 0 0 -6.9650 -3.7650 0.0000 C 0 0 -8.7360 -1.3435 0.0000 C 0 0 -6.3592 -2.3927 0.0000 C 0 0 -7.2447 -1.1820 0.0000 C 0 0 -4.8823 -2.5608 0.0000 C 0 0 -4.5513 -4.0107 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4032 -4.1625 0.0000 C 0 0 -3.8794 -1.4442 0.0000 C 0 0 -3.4506 -4.4889 0.0000 C 0 0 1 2 1 0 2 13 1 0 2 19 1 0 3 11 2 0 3 6 1 0 4 5 2 0 4 6 1 0 5 7 1 0 6 8 2 0 7 9 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 21 2 0 11 22 1 0 12 14 2 0 12 13 1 0 13 15 2 0 14 16 1 0 15 17 1 0 15 18 1 0 16 17 2 0 18 19 2 0 18 21 1 0 19 20 1 0 M END > 76747 > 525-58-6 $$$$ SciTegic05042114222D 30 33 0 0 1 0 999 V2000 -6.2354 3.6000 0.0000 O 0 0 -1.2990 1.9500 0.0000 F 0 0 -4.9363 -1.3500 0.0000 F 0 0 -1.2990 -1.7500 0.0000 H 0 0 -0.8097 -2.0868 0.0000 H 0 0 2.4080 -1.7436 0.0000 C 0 0 1 0 0 0 1.7979 -3.1140 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 0.3061 -2.9572 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5981 1.5000 0.0000 C 0 0 1 0 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 1 0 0 0 -5.1962 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -1.5589 2.1000 0.0000 C 0 0 2.3947 -0.2606 0.0000 C 0 0 3.3870 -2.8636 0.0000 C 0 0 4.5604 -2.6126 0.0000 O 0 0 2.9255 -4.2918 0.0000 C 0 0 3.7293 -5.1827 0.0000 O 0 0 2.7594 -0.5963 0.0000 O 0 0 1 20 2 0 13 2 1 6 21 3 1 6 14 4 1 1 12 5 1 6 6 7 1 0 6 8 1 0 6 26 1 0 6 30 1 6 7 11 1 0 8 9 1 0 8 12 1 0 8 25 1 1 9 10 1 0 10 13 1 0 10 23 1 1 11 12 1 0 12 14 1 0 13 14 1 0 13 15 1 0 14 18 1 0 15 16 1 0 15 19 1 0 15 24 1 1 16 17 2 0 17 20 1 0 18 21 1 0 19 22 2 0 19 21 1 0 20 22 1 0 26 27 2 0 26 28 1 0 28 29 1 0 M END > 77021 > 806-29-1 $$$$ SciTegic05042114222D 22 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8912 -5.2578 0.0000 C 0 0 -5.1876 -6.0124 0.0000 C 0 0 -5.1824 -7.5124 0.0000 C 0 0 -3.8808 -8.2579 0.0000 C 0 0 -2.5843 -7.5034 0.0000 C 0 0 -2.5895 -6.0034 0.0000 C 0 0 -3.8766 -9.4579 0.0000 Cl 0 0 -2.5972 -1.5031 0.0000 N 0 0 -1.5548 -3.6021 0.0000 N 0 0 -3.8933 -3.7570 0.0000 N 0 0 4.9291 5.8600 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 19 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 22 1 0 11 19 1 0 11 20 2 0 11 21 1 0 12 13 2 0 12 17 1 0 12 21 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 18 1 0 16 17 2 0 M END > 78365 $$$$ SciTegic05042114222D 23 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 5.1925 3.0071 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 6.4915 3.7571 0.0000 C 0 0 6.4914 5.2571 0.0000 C 0 0 3.8933 5.2570 0.0000 C 0 0 5.1924 6.0071 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 3 -2.6024 2.6977 0.0000 O 0 5 -3.6387 0.8962 0.0000 O 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 2.8541 5.8570 0.0000 O 0 0 5.1954 7.5079 0.0000 N 0 3 4.1572 8.1097 0.0000 O 0 5 6.2355 8.1065 0.0000 O 0 0 1 3 2 0 1 2 1 0 1 13 1 0 2 5 2 0 3 4 1 0 3 17 1 0 4 6 2 0 5 6 1 0 6 14 1 0 7 9 2 0 7 8 1 0 8 11 2 0 8 18 1 0 9 10 1 0 10 12 2 0 11 12 1 0 11 20 1 0 12 21 1 0 14 15 1 0 14 16 2 0 17 18 1 0 18 19 2 0 21 22 1 0 21 23 2 0 M CHG 4 14 1 15 -1 21 1 22 -1 M END > 79451 > 63981-15-7 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0080 -6.0003 0.0000 C 0 0 0.0080 -7.5003 0.0000 C 0 0 1.3070 -5.2502 0.0000 C 0 0 2.6060 -6.0003 0.0000 C 0 0 1.3071 -8.2503 0.0000 C 0 0 2.6061 -7.5003 0.0000 C 0 0 3.9043 -8.2533 0.0000 N 0 3 4.9446 -7.6551 0.0000 O 0 5 3.9027 -9.4533 0.0000 O 0 0 3.6453 -5.4003 0.0000 O 0 0 1.3039 -3.7494 0.0000 C 0 0 2.3421 -3.1476 0.0000 O 0 0 0.0031 -3.0008 0.0000 N 0 0 -2.3383 -1.3500 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 1 2 2 0 1 3 1 0 2 4 1 0 3 5 2 0 3 19 1 0 4 6 2 0 4 21 1 0 5 6 1 0 5 20 1 0 7 8 2 0 7 9 1 0 8 11 1 0 9 10 2 0 9 17 1 0 10 12 1 0 10 16 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 17 18 2 0 17 19 1 0 M CHG 2 13 1 14 -1 M END > 79456 > 33581-08-7 $$$$ SciTegic05042114222D 32 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 O 0 0 -6.4990 0.7409 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -9.0990 0.7364 0.0000 C 0 0 -10.4007 1.4818 0.0000 C 0 0 -9.0939 -0.7637 0.0000 C 0 0 -11.6971 0.7273 0.0000 C 0 0 -10.3903 -1.5182 0.0000 C 0 0 -11.6919 -0.7727 0.0000 C 0 0 3.6373 3.6000 0.0000 O 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8969 -0.4545 0.0000 O 0 0 -5.2003 1.4932 0.0000 N 0 0 -7.8003 1.4887 0.0000 C 0 0 -12.9875 -1.5302 0.0000 N 0 0 -12.9802 -3.0311 0.0000 C 0 0 -14.2758 -3.7886 0.0000 C 0 0 -14.2699 -4.9886 0.0000 Cl 0 0 -14.2927 -0.7893 0.0000 C 0 0 -15.5874 -1.5483 0.0000 C 0 0 -16.6310 -0.9559 0.0000 Cl 0 0 -10.4049 2.6818 0.0000 C 0 0 1 6 1 0 1 10 1 0 2 23 1 0 2 24 2 0 3 10 2 0 4 5 2 0 4 6 1 0 5 8 1 0 5 19 1 0 6 7 2 0 7 9 1 0 7 12 1 0 8 12 2 0 9 11 2 0 9 20 1 0 10 11 1 0 13 14 2 0 13 15 1 0 13 24 1 0 14 16 1 0 14 32 1 0 15 17 2 0 16 18 2 0 17 18 1 0 18 25 1 0 20 21 1 0 21 22 2 0 21 23 1 0 25 26 1 0 25 29 1 0 26 27 1 0 27 28 1 0 29 30 1 0 30 31 1 0 M END > 79688 > 14415-43-1 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 0.1826 -5.9859 0.0000 C 0 0 1.6500 -6.2970 0.0000 C 0 0 -0.2816 -4.5595 0.0000 C 0 0 2.6532 -5.1818 0.0000 C 0 0 0.7216 -3.4443 0.0000 C 0 0 2.1890 -3.7554 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -0.8234 -7.0997 0.0000 N 0 0 -1.9969 -6.8491 0.0000 C 0 0 -0.4540 -8.2414 0.0000 C 0 0 3.1905 -2.6376 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 16 1 0 2 4 1 0 3 5 2 0 4 6 2 0 5 6 1 0 6 19 1 0 7 8 1 0 7 9 1 0 7 19 2 0 8 12 2 0 9 13 2 0 9 10 1 0 10 11 2 0 11 14 1 0 12 13 1 0 13 15 1 0 14 15 2 0 16 17 1 0 16 18 1 0 M END > 80087 > 443-30-1 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 -0.3114 -2.9665 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8794 -1.4442 0.0000 C 0 0 -4.2520 -0.3035 0.0000 O 0 0 -4.8823 -2.5608 0.0000 C 0 0 -6.3509 -2.2515 0.0000 C 0 0 -6.7235 -1.1108 0.0000 O 0 0 -7.3538 -3.3681 0.0000 C 0 0 -8.5280 -3.1208 0.0000 F 0 0 -6.9812 -4.5088 0.0000 F 0 0 -8.1552 -4.2612 0.0000 F 0 0 1 3 1 0 1 8 1 0 2 4 2 0 2 3 1 0 3 5 2 0 4 6 1 0 5 7 1 0 5 9 1 0 6 9 2 0 7 8 2 0 7 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 M END > 80396 > 392-29-0 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -7.7897 3.0040 0.0000 O 0 0 -7.7881 1.8040 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -7.7897 6.0102 0.0000 O 0 0 -7.7879 7.2102 0.0000 C 0 0 -2.5952 6.0101 0.0000 O 0 0 -2.5969 7.2101 0.0000 C 0 0 1 8 2 0 1 4 1 0 2 3 2 0 2 4 1 0 3 6 1 0 4 5 2 0 5 7 1 0 5 10 1 0 6 10 2 0 7 9 2 0 7 20 1 0 8 9 1 0 11 13 2 0 11 12 1 0 11 19 1 0 12 15 2 0 13 14 1 0 13 23 1 0 14 16 2 0 15 16 1 0 15 17 1 0 16 21 1 0 17 18 1 0 19 20 2 0 21 22 1 0 23 24 1 0 M END > 80756 > 2878-62-8 $$$$ SciTegic05042114222D 23 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0080 -6.0003 0.0000 C 0 0 0.0080 -7.5003 0.0000 C 0 0 1.3070 -5.2502 0.0000 C 0 0 2.6060 -6.0003 0.0000 C 0 0 1.3071 -8.2503 0.0000 C 0 0 2.6061 -7.5003 0.0000 C 0 0 1.3071 -9.4503 0.0000 C 0 0 3.9074 -5.2525 0.0000 N 0 3 3.9095 -4.0525 0.0000 O 0 5 4.9457 -5.8540 0.0000 O 0 0 1.3039 -3.7494 0.0000 N 0 0 0.0031 -3.0008 0.0000 C 0 0 -1.0351 -3.6026 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 -2.5973 1.5031 0.0000 N 0 3 -3.6375 0.9049 0.0000 O 0 5 -2.5956 2.7031 0.0000 O 0 0 1 3 2 0 1 2 1 0 2 5 2 0 2 18 1 0 3 4 1 0 4 6 2 0 5 6 1 0 5 20 1 0 6 21 1 0 7 8 2 0 7 9 1 0 8 11 1 0 9 10 2 0 9 17 1 0 10 12 1 0 10 14 1 0 11 12 2 0 11 13 1 0 14 15 1 0 14 16 2 0 17 18 1 0 18 19 2 0 21 22 1 0 21 23 2 0 M CHG 4 14 1 15 -1 21 1 22 -1 M END > 82025 > 73454-90-7 $$$$ SciTegic05042114222D 17 16 0 0 0 0 999 V2000 3.9000 0.7500 0.0000 N 0 0 7.7999 0.0000 0.0000 N 0 0 1.3000 1.9500 0.0000 N 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 S 0 0 2.6000 0.0000 0.0000 N 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 6.4969 2.2508 0.0000 C 0 0 5.1960 2.9994 0.0000 O 0 0 5.1930 4.5002 0.0000 C 0 0 4.1529 5.0987 0.0000 C 0 0 9.0999 0.7500 0.0000 N 0 0 10.3999 0.0000 0.0000 C 0 0 11.4393 0.5997 0.0000 S 0 0 7.5350 2.8526 0.0000 C 0 0 10.3999 -1.2000 0.0000 N 0 0 1 6 1 0 1 7 2 0 2 8 2 0 2 13 1 0 3 4 1 0 4 5 2 0 4 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 16 1 0 10 11 1 0 11 12 1 0 13 14 1 0 14 15 2 0 14 17 1 0 M END > 82116 > 2507-91-7 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 0.4949 -0.3524 0.0000 C 0 0 1.3949 -0.3524 0.0000 S 0 0 1.8449 0.4274 0.0000 C 0 0 2.7449 0.4274 0.0000 C 0 0 0.4949 0.5475 0.0000 C 0 0 1.2740 0.9975 0.0000 C 0 0 1.2740 1.8974 0.0000 C 0 0 0.4949 2.3474 0.0000 C 0 0 -0.2849 1.8974 0.0000 C 0 0 -0.2849 0.9975 0.0000 C 0 0 -0.4739 -0.3524 0.0000 C 0 0 -0.9239 0.4274 0.0000 C 0 0 -1.8239 0.4274 0.0000 C 0 0 -2.2739 -0.3524 0.0000 C 0 0 -1.8239 -1.1315 0.0000 C 0 0 -0.9239 -1.1315 0.0000 C 0 0 0.4949 -1.2524 0.0000 C 0 0 -0.2849 -1.7024 0.0000 C 0 0 -0.2849 -2.6024 0.0000 C 0 0 0.4949 -3.0525 0.0000 C 0 0 1.2740 -2.6024 0.0000 C 0 0 1.2740 -1.7024 0.0000 C 0 0 3.1949 -0.3524 0.0000 N 0 0 3.1949 1.2064 0.0000 C 0 0 4.0949 1.2062 0.0000 O 0 0 2.7451 1.9860 0.0000 O 0 0 1 2 1 0 1 5 1 0 1 11 1 0 1 17 1 0 2 3 1 0 3 4 1 0 4 23 1 0 4 24 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 24 25 1 0 24 26 2 0 M END > 83265 > 2799-07-7 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 0.0129 0.7949 0.0000 P 0 3 0.0129 2.9549 0.0000 C 0 0 0.6469 2.5889 0.0000 C 0 0 -0.6210 2.5889 0.0000 C 0 0 0.6469 1.8569 0.0000 C 0 0 -0.6210 1.8569 0.0000 C 0 0 0.0129 1.4910 0.0000 C 0 0 1.9129 1.1610 0.0000 C 0 0 2.5470 0.7949 0.0000 C 0 0 1.2790 0.7949 0.0000 C 0 0 2.5470 0.0629 0.0000 C 0 0 1.2790 0.0629 0.0000 C 0 0 1.9129 -0.3030 0.0000 C 0 0 -2.0970 1.1610 0.0000 C 0 0 -2.7309 0.7949 0.0000 C 0 0 -1.4630 0.7949 0.0000 C 0 0 -1.4630 0.0629 0.0000 C 0 0 -2.7309 0.0629 0.0000 C 0 0 -2.0970 -0.3030 0.0000 C 0 0 -0.1170 -1.3090 0.0000 C 0 0 -0.7705 -1.6343 0.0000 C 0 0 -1.3789 -1.2310 0.0000 C 0 0 -2.0324 -1.5563 0.0000 Br 0 0 1 7 1 0 1 10 1 0 1 16 1 0 1 20 1 0 2 3 2 0 2 4 1 0 3 5 1 0 4 6 2 0 5 7 2 0 6 7 1 0 8 9 2 0 8 10 1 0 9 11 1 0 10 12 2 0 11 13 2 0 12 13 1 0 14 15 2 0 14 16 1 0 15 18 1 0 16 17 2 0 17 19 1 0 18 19 2 0 20 21 1 0 21 22 1 0 22 23 1 0 M CHG 1 1 1 M END > 84074 > 3607-17-8 $$$$ SciTegic05042114222D 22 24 0 0 1 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 1 0 0 0 1.3514 1.0778 0.0000 C 0 0 1 0 0 0 0.0000 1.7286 0.0000 C 0 0 1 0 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 2 0 0 0 -0.7500 -1.5574 0.0000 C 0 0 1 0 0 0 0.7500 -1.5574 0.0000 C 0 0 1 0 0 0 -1.2135 -2.9772 0.0000 C 0 0 0.0000 -3.8588 0.0000 C 0 0 1.2135 -2.9771 0.0000 C 0 0 2.3851 2.1558 0.0000 C 0 0 1.6743 3.4767 0.0000 C 0 0 0.1984 3.2088 0.0000 O 0 0 2.3152 0.8110 0.0000 H 0 0 -1.7341 -1.7353 0.0000 H 0 0 -0.8094 2.3158 0.0000 H 0 0 2.1949 4.5579 0.0000 O 0 0 3.5741 1.9939 0.0000 C 0 0 2.3551 -3.3472 0.0000 O 0 0 1.9309 -1.7708 0.0000 C 0 0 -2.8551 -0.6517 0.0000 C 0 0 2.8552 -0.6517 0.0000 O 0 0 1 2 1 0 1 7 1 0 1 22 1 6 2 3 1 0 2 11 1 0 2 14 1 6 3 4 1 0 3 13 1 0 3 16 1 6 4 5 1 0 5 6 1 0 5 21 1 6 6 7 1 0 6 8 1 0 6 15 1 6 7 10 1 0 7 20 1 1 8 9 2 0 9 10 1 0 10 19 2 0 11 12 1 0 11 18 2 0 12 13 1 0 12 17 2 0 M END > 85236 > 6754-13-8 $$$$ SciTegic05042114222D 31 34 0 0 0 0 999 V2000 -3.8963 -3.7531 0.0000 N 0 0 -3.8941 -5.2539 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1923 -6.0070 0.0000 C 0 0 -6.4915 -5.2571 0.0000 C 0 0 -5.1924 -7.5070 0.0000 C 0 0 -3.8933 -8.2570 0.0000 C 0 0 -3.8933 -9.7570 0.0000 C 0 0 -7.7905 -6.0071 0.0000 C 0 0 -6.4914 -8.2571 0.0000 C 0 0 -5.1923 -10.5070 0.0000 C 0 0 -7.7905 -7.5071 0.0000 C 0 0 -6.4914 -9.7571 0.0000 C 0 0 -7.7896 -10.5102 0.0000 N 0 3 -8.8298 -9.9121 0.0000 O 0 5 -7.7878 -11.7102 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 -6.4916 -4.0571 0.0000 O 0 0 -9.0902 -8.2576 0.0000 S 0 0 -10.1298 -7.6583 0.0000 O 0 0 -9.0898 -9.4576 0.0000 O 0 0 -10.1291 -8.8581 0.0000 O 0 0 1 2 2 0 1 10 1 0 2 13 1 0 3 5 2 0 3 4 1 0 4 9 2 0 4 6 1 0 5 8 1 0 6 7 2 0 7 10 1 0 8 11 2 0 9 12 1 0 9 11 1 0 10 12 2 0 12 26 1 0 13 14 2 0 13 15 1 0 14 18 1 0 14 27 1 0 15 19 2 0 15 16 1 0 16 17 2 0 17 20 1 0 18 21 2 0 19 21 1 0 19 22 1 0 20 22 2 0 21 28 1 0 22 23 1 0 23 24 1 0 23 25 2 0 28 29 2 0 28 30 2 0 28 31 1 0 M CHG 2 23 1 24 -1 M END > 85561 > 518-88-7 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 0.0031 3.0008 0.0000 C 0 0 1.3039 3.7494 0.0000 C 0 0 0.0000 -2.7000 0.0000 O 0 0 1.3070 5.2502 0.0000 C 0 0 2.6060 6.0003 0.0000 N 0 3 2.6060 7.5003 0.0000 C 0 0 1.3070 8.2503 0.0000 C 0 0 0.0079 7.5003 0.0000 C 0 0 0.0079 6.0003 0.0000 C 0 0 3.9051 8.2503 0.0000 C 0 0 3.9051 9.7503 0.0000 C 0 0 2.6061 10.5003 0.0000 C 0 0 1.3070 9.7503 0.0000 C 0 0 3.6452 5.4003 0.0000 C 0 0 2.6061 11.7003 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 3 11 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 10 1 0 6 13 1 0 7 8 2 0 8 9 1 0 9 10 2 0 11 12 2 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 15 24 1 0 16 17 2 0 16 20 1 0 17 18 1 0 17 23 1 0 18 19 2 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 M CHG 1 15 1 M END > 85700 > 6759-89-3 $$$$ SciTegic05042114222D 18 17 0 0 1 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 2 0 0 0 3.9000 0.7500 0.0000 C 0 0 2 0 0 0 5.2000 0.0000 0.0000 C 0 0 1 0 0 0 6.5000 0.7500 0.0000 C 0 0 1 0 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 N 0 0 9.0999 1.9500 0.0000 O 0 0 2.6000 -1.2000 0.0000 O 0 0 3.9000 1.9500 0.0000 O 0 0 5.2000 -1.2000 0.0000 O 0 0 10.3999 -1.2000 0.0000 C 0 0 7.7999 0.0000 0.0000 N 0 0 6.4969 2.2508 0.0000 C 0 0 5.4568 2.8494 0.0000 O 0 0 0.2606 0.1503 0.0000 O 0 0 11.6999 0.7500 0.0000 N 0 0 12.7393 0.1503 0.0000 O 0 0 1 2 1 0 1 16 1 0 2 3 1 0 2 9 1 6 3 4 1 0 3 10 1 1 4 5 1 0 4 11 1 1 5 13 1 6 5 14 1 0 6 7 1 0 6 8 2 0 6 13 1 0 7 12 1 0 7 17 1 0 14 15 2 0 17 18 2 0 M END > 85998 > 18883-66-4 $$$$ SciTegic05042114222D 19 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -3.7124 4.0030 0.0000 N 0 0 -4.6905 3.7950 0.0000 H 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.6105 5.2165 0.0000 C 0 0 -3.7125 6.7423 0.0000 C 0 0 -2.8308 7.9559 0.0000 C 0 0 -3.1023 5.3733 0.0000 C 0 0 -1.3391 7.7991 0.0000 C 0 0 -0.7290 6.4288 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.6373 0.9000 0.0000 C 0 0 1 18 2 0 1 8 1 0 2 6 1 0 2 15 1 0 2 3 1 0 4 5 2 0 4 6 1 0 4 19 1 0 5 7 1 0 5 10 1 0 6 9 2 0 7 8 1 0 9 11 1 0 9 12 1 0 10 11 2 0 10 18 1 0 12 15 2 0 12 17 1 0 13 14 2 0 13 15 1 0 14 16 1 0 16 17 2 0 M END > 86100 > 4238-67-9 $$$$ SciTegic05042114222D 19 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -3.7124 4.0030 0.0000 N 0 0 -4.6905 3.7950 0.0000 H 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.6105 5.2165 0.0000 C 0 0 -3.7125 6.7423 0.0000 C 0 0 -2.8308 7.9559 0.0000 C 0 0 -3.1023 5.3733 0.0000 C 0 0 -1.3391 7.7991 0.0000 C 0 0 -0.7290 6.4288 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.6373 0.9000 0.0000 C 0 0 1 18 2 0 1 8 1 0 2 6 1 0 2 15 1 0 2 3 1 0 4 5 2 0 4 6 1 0 4 19 1 0 5 7 1 0 5 10 1 0 6 9 2 0 7 8 2 0 9 11 1 0 9 12 1 0 10 11 2 0 10 18 1 0 12 15 2 0 12 17 1 0 13 14 2 0 13 15 1 0 14 16 1 0 16 17 2 0 M END > 87206 > 4238-66-8 $$$$ SciTegic05042114222D 9 9 0 0 0 0 999 V2000 2.8552 -0.6517 0.0000 O 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 1.2707 -2.6386 0.0000 O 0 0 1 2 2 0 2 3 1 0 2 5 1 0 3 4 2 0 4 6 1 0 5 7 2 0 5 9 1 0 6 8 2 0 7 8 1 0 M END > 89303 > 533-75-5 $$$$ SciTegic05042114222D 22 23 0 0 1 0 999 V2000 -1.0400 -1.9647 0.0000 C 0 0 1 0 0 0 0.0000 2.8600 0.0000 C 0 0 1.3300 -1.6300 0.0000 C 0 0 0.1900 -1.1200 0.0000 C 0 0 0.3300 4.3600 0.0000 C 0 0 2.3100 4.3400 0.0000 C 0 0 2.5200 0.3600 0.0000 O 0 0 2.3100 -1.1700 0.0000 C 0 0 2.6000 2.8000 0.0000 C 0 0 4.1100 2.4200 0.0000 C 0 0 4.1500 0.6800 0.0000 C 0 0 2 0 0 0 -1.5437 -0.1899 0.0000 H 0 0 -1.5639 3.3300 0.0000 H 0 0 3.2767 -1.8810 0.0000 O 0 0 -0.3790 -0.9632 0.0000 O 0 0 5.0854 -0.0717 0.0000 C 0 0 -1.5600 0.8100 0.0000 C 0 0 2 0 0 0 -3.0100 0.3400 0.0000 C 0 0 -3.9100 1.5700 0.0000 C 0 0 2 0 0 0 -3.0100 2.8100 0.0000 C 0 0 -1.5600 2.3300 0.0000 C 0 0 1 0 0 0 -5.1100 1.5677 0.0000 O 0 0 1 4 1 0 1 15 1 1 1 17 1 0 2 5 2 0 2 21 1 0 3 4 2 0 3 8 1 0 5 6 1 0 6 9 1 0 7 8 1 0 7 11 1 0 8 14 2 0 9 10 1 0 10 11 1 0 11 16 1 6 17 12 1 1 21 13 1 6 17 18 1 0 17 21 1 0 18 19 1 0 19 20 1 0 19 22 1 1 20 21 1 0 M END > 89671 > 60132-23-2 $$$$ SciTegic05042114222D 35 39 0 0 1 0 999 V2000 -6.0622 -2.5000 0.0000 H 0 0 -2.5981 -4.0000 0.0000 H 0 0 0.8660 -2.0000 0.0000 H 0 0 1.4024 -1.7446 0.0000 H 0 0 2.7140 -1.2135 0.0000 C 0 0 2 0 0 0 3.5957 0.0000 0.0000 C 0 0 2.7140 1.2135 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -2.5981 -3.0000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 0 0 0 -3.8971 -3.7500 0.0000 C 0 0 1 0 0 0 -3.8971 -5.2500 0.0000 C 0 0 -5.1962 -6.0000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1962 -3.0000 0.0000 C 0 0 1 0 0 0 -6.4952 -5.2500 0.0000 C 0 0 1 0 0 0 -5.1961 -1.5000 0.0000 C 0 0 -6.4952 -3.7500 0.0000 C 0 0 -7.5344 -5.8500 0.0000 O 0 0 -6.4669 -2.5503 0.0000 C 0 0 -7.5200 -4.3742 0.0000 C 0 0 -2.8579 -4.3500 0.0000 C 0 0 2.3635 -3.5291 0.0000 C 0 0 -2.5981 -0.3000 0.0000 C 0 0 -2.3383 -0.1500 0.0000 C 0 0 3.1702 -2.6407 0.0000 C 0 0 4.3428 -2.8955 0.0000 C 0 0 1.4230 1.9436 0.0000 C 0 0 22 1 1 1 15 2 1 1 10 3 1 6 8 4 1 1 5 6 1 0 5 8 1 0 5 33 1 1 6 7 1 0 7 9 1 0 8 9 1 0 8 10 1 0 9 13 1 0 9 35 1 6 10 11 1 0 10 14 1 0 11 12 1 0 12 15 1 0 13 16 1 0 14 17 1 0 14 16 1 0 14 32 1 1 15 18 1 0 15 17 1 0 17 21 1 0 17 31 1 6 18 19 1 0 18 22 1 0 18 29 1 6 19 20 1 0 20 23 1 0 21 24 1 0 22 24 1 0 22 25 1 0 23 25 1 0 23 26 1 6 25 27 1 0 25 28 1 0 30 33 2 0 33 34 1 0 M END > 90487 > 545-47-1 $$$$ SciTegic05042114222D 63 72 0 0 0 0 999 V2000 -5.9200 0.2745 0.0000 N 0 0 -5.9200 -0.2095 0.0000 H 0 0 -4.0000 3.6245 0.0000 N 0 0 -2.1139 1.4285 0.0000 H 0 0 -1.1999 3.0645 0.0000 O 0 0 0.5849 -3.1034 0.0000 N 0 0 1.5680 -3.2654 0.0000 H 0 0 2.5270 0.2175 0.0000 N 0 0 2.5270 -1.9934 0.0000 H 0 0 -3.0409 4.1785 0.0000 C 0 0 -2.0820 3.6245 0.0000 C 0 0 1 0 0 0 -2.0820 2.5174 0.0000 C 0 0 1 0 0 0 -3.0409 1.9635 0.0000 C 0 0 1 0 0 0 -3.0409 0.8545 0.0000 C 0 0 -3.9700 0.2945 0.0000 C 0 0 1 0 0 0 -4.9200 0.8545 0.0000 C 0 0 -5.9000 3.6245 0.0000 C 0 0 -5.9000 2.5145 0.0000 C 0 0 -4.9200 1.9645 0.0000 C 0 0 -6.8199 1.9645 0.0000 C 0 0 -7.7789 2.5185 0.0000 C 0 0 -8.7379 1.9645 0.0000 C 0 0 -6.8199 0.8574 0.0000 C 0 0 -8.7379 0.8574 0.0000 C 0 0 -7.7789 0.3034 0.0000 C 0 0 3.4849 0.7714 0.0000 C 0 0 4.4440 0.2175 0.0000 C 0 0 4.4440 -0.8895 0.0000 C 0 0 3.4849 -1.4434 0.0000 C 0 0 2 0 0 0 2.5270 -0.8895 0.0000 C 0 0 1 0 0 0 1.5680 -1.4434 0.0000 C 0 0 2 0 0 0 3.4849 -2.5504 0.0000 C 0 0 2 0 0 0 1.5680 -2.5504 0.0000 C 0 0 2 0 0 0 -0.3149 -1.4434 0.0000 C 0 0 -1.2729 -0.8895 0.0000 C 0 0 -2.2320 -1.4434 0.0000 C 0 0 -0.3149 -2.5504 0.0000 C 0 0 -2.2320 -2.5504 0.0000 C 0 0 2.5270 -3.1045 0.0000 C 0 0 2 0 0 0 -1.2729 -3.1045 0.0000 C 0 0 0.6150 0.2175 0.0000 C 0 0 -4.0000 2.5174 0.0000 C 0 0 0.6150 -0.9134 0.0000 C 0 0 -5.5119 -0.8174 0.0000 O 0 0 -6.0669 -1.7787 0.0000 C 0 0 -4.6119 -0.8174 0.0000 C 0 0 -5.7220 -0.8175 0.0000 O 0 0 -3.5799 -2.9115 0.0000 O 0 0 -4.3647 -2.1265 0.0000 C 0 0 -1.1729 4.1494 0.0000 C 0 0 -0.2116 3.5946 0.0000 C 0 0 0.5849 -4.2144 0.0000 C 0 0 1.8959 -4.1954 0.0000 O 0 0 3.0750 -4.0534 0.0000 C 0 0 4.1849 -4.0534 0.0000 O 0 0 4.3990 -1.9704 0.0000 C 0 0 5.3599 -1.4149 0.0000 C 0 0 4.8150 -4.0534 0.0000 O 0 0 5.3699 -3.0922 0.0000 C 0 0 4.4470 -3.1054 0.0000 O 0 0 5.4081 -2.5501 0.0000 C 0 0 6.3695 -3.1048 0.0000 O 0 0 5.4084 -3.6601 0.0000 C 0 0 1 16 1 0 1 23 1 0 1 2 1 0 42 3 1 0 3 10 1 0 3 17 1 0 13 4 1 6 11 5 1 0 12 5 1 6 6 33 1 0 6 37 1 0 6 52 1 0 33 7 1 1 8 30 1 0 8 26 1 0 8 41 1 0 30 9 1 6 10 11 1 0 11 12 1 0 11 50 1 1 12 13 1 0 13 42 1 0 13 14 1 0 14 15 1 0 15 36 1 6 15 16 1 0 15 46 1 0 16 19 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 23 2 0 20 21 1 0 21 22 2 0 22 24 1 0 23 25 1 0 24 25 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 29 32 1 0 29 56 1 6 30 31 1 0 31 43 1 1 31 33 1 0 31 34 1 0 32 39 1 0 32 60 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 48 1 0 39 53 1 1 39 54 1 0 41 43 1 0 44 45 1 0 44 46 1 0 46 47 2 0 48 49 1 0 50 51 1 0 54 55 2 0 54 58 1 0 56 57 1 0 58 59 1 0 60 61 1 0 61 62 2 0 61 63 1 0 M END > 90636 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 0.0000 0.0000 0.0000 N 0 0 4.4987 -2.6078 0.0000 N 0 0 5.9898 -5.2112 0.0000 O 0 0 -0.7526 1.2945 0.0000 C 0 0 -2.2578 1.2945 0.0000 C 0 0 -3.0105 0.0000 0.0000 C 0 0 -3.7631 -1.2945 0.0000 C 0 0 -5.2683 -1.2945 0.0000 C 0 0 -6.0209 0.0000 0.0000 C 0 0 -3.7631 1.2945 0.0000 C 0 0 -2.2578 -1.2945 0.0000 C 0 0 -5.2683 1.2945 0.0000 C 0 0 -0.7526 -1.2945 0.0000 C 0 0 5.9987 -2.6131 0.0000 C 0 0 6.7442 -3.9147 0.0000 C 0 0 3.7443 -3.9043 0.0000 C 0 0 4.4898 -5.2060 0.0000 C 0 0 -7.5217 0.0000 0.0000 C 0 0 -8.1224 -1.0388 0.0000 C 0 0 -8.1214 1.0394 0.0000 C 0 0 -8.7217 0.0006 0.0000 C 0 0 1.5008 -0.0031 0.0000 C 0 0 2.2493 -1.3039 0.0000 C 0 0 3.7502 -1.3070 0.0000 C 0 0 1 4 1 0 1 13 1 0 1 22 1 0 2 14 1 0 2 16 1 0 2 24 1 0 3 15 1 0 3 17 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 10 1 0 6 11 1 0 7 8 1 0 8 9 1 0 9 12 1 0 9 18 1 0 10 12 1 0 11 13 1 0 14 15 1 0 16 17 1 0 18 19 1 0 18 20 1 0 18 21 1 0 22 23 1 0 23 24 1 0 M END > 90829 $$$$ SciTegic05042114222D 18 18 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.3383 1.3500 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -2.6078 5.9988 0.0000 C 0 0 -2.6109 7.4996 0.0000 C 0 0 -3.9118 8.2481 0.0000 C 0 0 -3.9149 9.7490 0.0000 C 0 0 -5.2157 10.4975 0.0000 C 0 0 -5.2182 11.6975 0.0000 C 0 0 1 9 1 0 2 6 2 0 2 9 1 0 3 9 2 0 3 8 1 0 4 6 1 0 5 8 1 0 6 7 1 0 7 8 2 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 M END > 92510 > 14077-73-7 $$$$ SciTegic05042114222D 46 52 0 0 0 0 999 V2000 0.4856 -5.1064 0.0000 C 0 0 -4.1899 3.0240 0.0000 C 0 0 7.4477 -1.1846 0.0000 C 0 0 2.8575 6.8952 0.0000 C 0 0 3.8840 3.4897 0.0000 C 0 0 -3.1013 -0.3722 0.0000 C 0 0 -4.2887 1.5772 0.0000 C 0 0 -4.2710 -1.1696 0.0000 C 0 0 -5.4760 0.8595 0.0000 C 0 0 -0.7266 -4.5368 0.0000 C 0 0 -1.9760 -5.1836 0.0000 C 0 0 -1.9760 -2.5076 0.0000 C 0 0 5.1305 -2.5962 0.0000 C 0 0 0.3633 5.6444 0.0000 C 0 0 2.7026 -1.2405 0.0000 C 0 0 3.8988 -4.6077 0.0000 C 0 0 -1.9937 5.6976 0.0000 C 0 0 2.6671 -5.2545 0.0000 C 0 0 -3.1456 5.0064 0.0000 C 0 0 -1.9937 1.5772 0.0000 C 0 0 0.4342 -2.5254 0.0000 C 0 0 -3.1190 0.9038 0.0000 C 0 0 -5.4495 -0.5405 0.0000 C 0 0 -0.7266 -3.1722 0.0000 C 0 0 -3.1190 -4.5368 0.0000 C 0 0 3.8811 -3.3228 0.0000 C 0 0 -0.8241 5.0064 0.0000 C 0 0 2.7026 -2.5962 0.0000 C 0 0 -3.1190 -3.1722 0.0000 C 0 0 3.9342 -0.5582 0.0000 C 0 0 5.1039 -1.2848 0.0000 C 0 0 1.5418 4.9533 0.0000 C 0 0 -0.8241 3.6153 0.0000 C 0 0 0.3633 2.9241 0.0000 C 0 0 1.5418 3.6153 0.0000 C 0 0 1.5595 -3.2520 0.0000 C 0 0 -1.9937 2.9241 0.0000 C 0 0 1.5418 -4.5368 0.0000 N 0 0 -3.1456 3.6153 0.0000 N 0 0 -4.4074 -5.3095 0.0000 O 0 0 -6.8583 -2.2152 0.0000 O 0 0 3.1368 1.6481 0.0000 O 0 0 6.4217 -0.5622 0.0000 O 0 0 2.8481 5.6952 0.0000 O 0 0 2.8512 2.8786 0.0000 O 0 0 -4.3912 -6.3093 0.0000 H 0 0 1 38 1 0 2 39 1 0 3 43 1 0 4 44 1 0 5 45 1 0 6 8 2 0 6 22 1 0 7 9 1 0 7 22 2 0 8 23 1 0 9 23 2 0 10 11 2 0 10 24 1 0 11 25 1 0 12 24 2 0 12 29 1 0 13 26 2 0 13 31 1 0 14 27 2 0 14 32 1 0 15 28 2 0 15 30 1 0 16 18 1 0 16 26 1 0 17 19 1 0 17 27 1 0 18 38 1 0 19 39 1 0 20 22 1 0 20 37 1 0 21 24 1 0 21 36 1 0 23 41 1 0 25 29 2 0 25 40 1 0 26 28 1 0 27 33 1 0 28 36 1 0 29 41 1 0 30 31 2 0 30 42 1 0 31 43 1 0 32 35 2 0 32 44 1 0 33 34 2 0 33 37 1 0 34 35 1 0 34 42 1 0 35 45 1 0 36 38 1 0 37 39 1 0 40 46 1 0 M END > 93135 > 548-40-3 $$$$ SciTegic05042114222D 41 45 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -10.3891 7.5135 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 -9.0875 8.2590 0.0000 C 0 0 -10.3943 6.0135 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -7.7911 7.5045 0.0000 O 0 0 -9.0979 5.2590 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -9.1000 3.7582 0.0000 O 0 0 -1.2991 5.2500 0.0000 C 0 0 -7.7962 6.0045 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -3.8972 5.2500 0.0000 C 0 0 -2.5981 6.0000 0.0000 C 0 0 -2.5981 7.5000 0.0000 C 0 0 -6.4975 5.2522 0.0000 O 0 0 -5.1962 6.0000 0.0000 C 0 0 -1.5589 8.1000 0.0000 O 0 0 -5.1962 7.5000 0.0000 C 0 0 -3.8972 8.2500 0.0000 C 0 0 -6.4975 8.2477 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 -11.4263 8.1170 0.0000 O 0 0 -11.4356 5.4171 0.0000 O 0 0 -9.0834 9.4590 0.0000 C 0 0 -4.9364 3.1500 0.0000 O 0 0 -8.0620 3.1560 0.0000 C 0 0 -2.8441 8.8253 0.0000 O 0 0 -4.9502 8.8254 0.0000 C 0 0 -7.5359 7.6462 0.0000 C 0 0 1 2 1 0 1 32 1 0 2 4 2 0 2 3 1 0 3 5 2 0 4 6 1 0 5 7 1 0 5 33 1 0 6 12 1 0 6 7 2 0 7 10 1 0 8 13 1 0 8 14 1 0 8 34 1 0 9 12 2 0 10 18 1 0 10 11 2 0 12 15 1 0 13 16 1 0 13 36 1 0 14 17 1 0 14 35 1 0 15 20 1 0 15 18 2 0 16 21 1 0 17 21 1 0 17 19 1 0 18 22 1 0 19 38 1 0 20 24 2 0 21 26 1 0 22 23 2 0 22 37 1 0 23 24 1 0 23 27 1 0 24 25 1 0 25 28 2 0 25 30 1 0 26 27 1 0 27 29 1 0 29 30 1 0 29 31 1 0 30 39 1 0 30 40 1 0 31 41 1 0 M END > 93419 > 11033-34-4 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 -2.6003 1.4977 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -3.9023 3.7481 0.0000 C 0 0 -2.6030 2.9985 0.0000 C 0 0 -3.9029 5.2481 0.0000 C 0 0 -1.3042 3.7491 0.0000 C 0 0 -2.6041 5.9986 0.0000 C 0 0 -1.3048 5.2491 0.0000 C 0 0 -2.6046 7.1986 0.0000 N 0 0 -4.9423 5.8477 0.0000 C 0 0 2.3383 -1.3500 0.0000 N 0 0 -7.5291 -1.3672 0.0000 N 0 0 1 7 2 0 1 9 1 0 1 15 1 0 2 3 1 0 2 4 1 0 2 22 2 0 3 5 2 0 4 6 2 0 5 7 1 0 6 7 1 0 8 10 2 0 8 9 1 0 9 12 2 0 10 11 1 0 11 13 2 0 11 23 1 0 12 13 1 0 14 15 2 0 14 16 1 0 15 17 1 0 16 18 2 0 16 21 1 0 17 19 2 0 18 19 1 0 18 20 1 0 M END > 93739 > 632-99-5 $$$$ SciTegic05042114222D 14 13 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 O 0 0 12.9999 0.0000 0.0000 C 0 0 14.0393 0.5997 0.0000 O 0 0 1.3000 1.9500 0.0000 C 0 0 11.6999 0.7500 0.0000 N 0 0 12.9999 -1.2000 0.0000 C 0 0 2.6000 0.0000 0.0000 N 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 1 2 2 0 1 5 1 0 1 8 1 0 3 4 2 0 3 6 1 0 3 7 1 0 6 14 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 M END > 95580 > 3073-59-4 $$$$ SciTegic05042114222D 13 13 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 3.8990 0.7455 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.6003 1.4978 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 5.2003 1.4932 0.0000 N 0 0 6.4990 0.7410 0.0000 C 0 0 7.5395 1.3389 0.0000 S 0 0 6.4969 -0.4590 0.0000 N 0 0 1 3 2 0 1 7 1 0 2 8 2 0 2 10 1 0 3 4 1 0 3 8 1 0 4 5 2 0 4 9 1 0 5 6 1 0 6 7 2 0 10 11 1 0 11 12 2 0 11 13 1 0 M END > 95678 > 3814-79-7 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 -0.8050 1.0144 0.0000 O 0 0 -0.8050 -1.1805 0.0000 O 0 0 -0.1620 0.6424 0.0000 C 0 0 1.2719 0.6424 0.0000 C 0 0 1.9149 1.0144 0.0000 C 0 0 2.5580 0.6424 0.0000 C 0 0 2.5580 -0.0995 0.0000 C 0 0 1.2719 -0.0995 0.0000 C 0 0 -0.1620 -0.0995 0.0000 C 0 0 1.9149 -0.4705 0.0000 C 0 0 -0.8050 -0.4705 0.0000 C 0 0 -1.4480 -0.0995 0.0000 C 0 0 -2.0910 1.0144 0.0000 C 0 0 -2.7339 0.6424 0.0000 C 0 0 -1.4480 0.6424 0.0000 C 0 0 -2.7339 -0.0995 0.0000 C 0 0 -2.0910 -0.4705 0.0000 C 0 0 0.2379 -0.7925 0.0000 O 0 0 0.9779 -0.7925 0.0000 C 0 0 0.3389 1.1434 0.0000 O 0 0 1.0537 0.9519 0.0000 C 0 0 0.5409 -0.2875 0.0000 O 0 0 1 3 1 0 1 15 1 0 2 11 2 0 3 4 1 0 3 9 1 0 3 20 1 0 4 8 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 10 2 0 8 10 1 0 9 11 1 0 9 18 1 0 9 22 1 0 11 12 1 0 12 15 2 0 12 17 1 0 13 14 2 0 13 15 1 0 14 16 1 0 16 17 2 0 18 19 1 0 20 21 1 0 M END > 95848 > 1603-46-9 $$$$ SciTegic05042114222D 26 29 0 0 0 0 999 V2000 -0.3114 -2.9665 0.0000 S 0 0 -2.4133 -1.7530 0.0000 N 0 0 -2.4091 -9.6746 0.0000 N 0 3 -0.3114 -8.4537 0.0000 S 0 0 1.3068 -10.6645 0.0000 C 0 0 0.0051 -9.9191 0.0000 C 0 0 1.3120 -12.1645 0.0000 C 0 0 0.0156 -12.9191 0.0000 C 0 0 -1.2913 -10.6736 0.0000 C 0 0 -1.2860 -12.1736 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.7928 -8.3210 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -3.8794 -1.4442 0.0000 C 0 0 -4.6813 -2.3370 0.0000 C 0 0 -2.5496 -4.4224 0.0000 C 0 0 -1.7974 -5.7210 0.0000 C 0 0 -0.5974 -5.7189 0.0000 C 0 0 -2.5451 -7.0223 0.0000 C 0 0 -3.8764 -9.9772 0.0000 C 0 0 -4.6745 -9.0810 0.0000 C 0 0 1 12 1 0 1 18 1 0 2 14 1 0 2 18 1 0 2 19 1 0 3 17 2 0 3 9 1 0 3 25 1 0 4 6 1 0 4 17 1 0 5 7 2 0 5 6 1 0 6 9 2 0 7 8 1 0 8 10 2 0 9 10 1 0 11 13 2 0 11 12 1 0 12 14 2 0 13 15 1 0 14 16 1 0 15 16 2 0 17 24 1 0 18 21 2 0 19 20 1 0 21 22 1 0 22 23 1 0 22 24 2 0 25 26 1 0 M CHG 1 3 1 M END > 96932 > 3065-79-0 $$$$ SciTegic05042114222D 48 54 0 0 1 0 999 V2000 -6.9200 0.2800 0.0000 C 0 0 -6.5100 -1.1200 0.0000 C 0 0 -5.0000 -1.5400 0.0000 N 0 0 -3.9500 -0.4700 0.0000 C 0 0 2 0 0 0 -4.3700 0.9800 0.0000 C 0 0 -3.3000 2.0800 0.0000 C 0 0 -3.7000 3.5300 0.0000 C 0 0 -5.2100 3.9300 0.0000 C 0 0 -6.2600 2.8500 0.0000 C 0 0 -5.8400 1.3800 0.0000 C 0 0 -4.6894 -2.6991 0.0000 C 0 0 -5.6275 5.3711 0.0000 O 0 0 -2.6357 4.5878 0.0000 O 0 0 -2.9416 5.7481 0.0000 C 0 0 -6.7926 5.6587 0.0000 C 0 0 6.8600 2.4600 0.0000 C 0 0 7.8900 1.2400 0.0000 C 0 0 7.3300 -0.1600 0.0000 N 0 0 5.7900 -0.4200 0.0000 C 0 0 1 0 0 0 4.8600 0.7600 0.0000 C 0 0 3.2900 0.5100 0.0000 C 0 0 2.2900 1.7300 0.0000 C 0 0 2.9200 3.1100 0.0000 C 0 0 4.4600 3.3900 0.0000 C 0 0 5.4200 2.1700 0.0000 C 0 0 8.0834 -1.0940 0.0000 C 0 0 1.9893 4.2884 0.0000 O 0 0 2.4321 5.4037 0.0000 C 0 0 -0.4000 1.1200 0.0000 O 0 0 -2.0200 -0.4500 0.0000 C 0 0 -2.0200 -2.0200 0.0000 C 0 0 -3.3000 -2.7600 0.0000 C 0 0 -3.3000 -4.2300 0.0000 C 0 0 -2.0200 -4.9500 0.0000 C 0 0 -0.7800 -2.7600 0.0000 C 0 0 -0.7800 -4.2300 0.0000 C 0 0 -2.0030 -6.4513 0.0000 O 0 0 -3.0349 -7.0638 0.0000 C 0 0 5.5800 -2.1500 0.0000 C 0 0 4.2600 -2.8700 0.0000 C 0 0 3.0600 -2.1300 0.0000 C 0 0 1.7700 -2.8300 0.0000 C 0 0 1.7300 -4.2600 0.0000 C 0 0 2.9600 -5.0100 0.0000 C 0 0 4.2400 -4.3200 0.0000 C 0 0 0.4800 -4.9800 0.0000 O 0 0 6.5133 -1.1105 0.0000 H 0 0 -3.5582 -1.3900 0.0000 H 0 0 1 2 1 0 1 10 1 0 2 3 1 0 3 4 1 0 3 11 1 0 4 5 1 0 4 30 1 0 4 48 1 1 5 6 1 0 5 10 2 0 6 7 2 0 6 29 1 0 7 8 1 0 7 13 1 0 8 9 2 0 8 12 1 0 9 10 1 0 12 15 1 0 13 14 1 0 16 17 1 0 16 25 1 0 17 18 1 0 18 19 1 0 18 26 1 0 19 20 1 0 19 39 1 0 19 47 1 1 20 21 1 0 20 25 2 0 21 22 2 0 22 23 1 0 22 29 1 0 23 24 2 0 23 27 1 0 24 25 1 0 27 28 1 0 30 31 1 0 31 32 2 0 31 35 1 0 32 33 1 0 33 34 2 0 34 36 1 0 34 37 1 0 35 36 2 0 36 46 1 0 37 38 1 0 39 40 1 0 40 41 2 0 40 45 1 0 41 42 1 0 42 43 2 0 43 44 1 0 43 46 1 0 44 45 2 0 M END > 97338 > 477-57-6 $$$$ SciTegic05042114222D 21 24 0 0 0 0 999 V2000 -2.7024 0.0407 0.0000 O 0 0 -4.6596 -1.3650 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5987 1.5006 0.0000 C 0 0 -3.9127 2.1435 0.0000 C 0 0 -4.3744 3.5707 0.0000 C 0 0 -5.8413 3.8844 0.0000 C 0 0 -4.9178 1.0301 0.0000 C 0 0 -6.8464 2.7709 0.0000 C 0 0 -6.3846 1.3438 0.0000 C 0 0 -4.1700 -0.2694 0.0000 C 0 0 -2.5962 2.7006 0.0000 C 0 0 1 13 1 0 1 20 1 0 2 20 2 0 3 4 2 0 3 5 1 0 4 8 1 0 5 9 2 0 5 6 1 0 6 7 2 0 7 10 1 0 8 11 2 0 9 11 1 0 9 12 1 0 10 12 2 0 11 13 1 0 13 14 1 0 13 21 1 0 14 17 2 0 14 15 1 0 15 16 2 0 16 18 1 0 17 19 1 0 17 20 1 0 18 19 2 0 M END > 97703 > 56282-16-7 $$$$ SciTegic05042114222D 23 24 0 0 0 0 999 V2000 -0.0031 3.0008 0.0000 O 0 0 -1.3039 -3.7494 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3092 5.2494 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -2.6108 5.9949 0.0000 C 0 0 -3.9073 5.2404 0.0000 C 0 0 -2.6005 2.9949 0.0000 C 0 0 -3.9021 3.7404 0.0000 C 0 0 -5.2112 5.9836 0.0000 C 0 0 -6.2474 5.3786 0.0000 O 0 0 -5.2174 7.1836 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 1.0351 -3.6026 0.0000 C 0 0 -1.3070 -5.2502 0.0000 N 0 0 -2.6103 -7.1988 0.0000 N 0 0 -2.6078 -5.9988 0.0000 C 0 0 -3.6460 -5.3970 0.0000 N 0 0 1 6 1 0 1 10 1 0 2 18 2 0 2 20 1 0 3 5 2 0 3 4 1 0 4 7 2 0 4 18 1 0 5 6 1 0 6 8 2 0 7 8 1 0 9 11 2 0 9 10 1 0 10 13 2 0 11 12 1 0 12 14 2 0 12 15 1 0 13 14 1 0 15 16 2 0 15 17 1 0 18 19 1 0 20 22 1 0 21 22 2 0 22 23 1 0 M END > 97911 $$$$ SciTegic05042114222D 15 15 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 3 3.6375 -0.9049 0.0000 O 0 5 2.5956 -2.7031 0.0000 O 0 0 -2.6003 1.4977 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2408 2.0910 0.0000 N 0 0 -3.8964 -0.7554 0.0000 C 0 0 -3.8943 -1.9554 0.0000 N 0 0 1 2 2 0 1 3 1 0 1 8 1 0 2 4 1 0 3 5 2 0 4 6 2 0 5 6 1 0 6 11 1 0 7 11 2 0 7 12 1 0 7 14 1 0 8 9 1 0 8 10 2 0 12 13 3 0 14 15 3 0 M CHG 2 8 1 9 -1 M END > 98447 > 2700-23-4 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 6.4920 -0.7635 0.0000 C 0 0 6.4971 0.7365 0.0000 C 0 0 5.1904 -1.5090 0.0000 C 0 0 5.2007 1.4910 0.0000 C 0 0 3.8939 -0.7546 0.0000 C 0 0 3.8990 0.7455 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2960 5.2508 0.0000 O 0 0 -0.2559 5.8494 0.0000 C 0 0 -3.8994 3.7477 0.0000 O 0 0 -4.9378 3.1462 0.0000 C 0 0 5.1821 -3.0098 0.0000 O 0 0 4.1399 -3.6048 0.0000 C 0 0 2.6003 1.4978 0.0000 C 0 0 7.7907 -1.5158 0.0000 O 0 0 8.8311 -0.9179 0.0000 C 0 0 5.2090 2.9918 0.0000 C 0 0 6.2512 3.5867 0.0000 O 0 0 4.1729 3.5972 0.0000 C 0 0 1 8 2 0 1 15 1 0 2 3 2 0 2 4 1 0 2 24 1 0 3 5 1 0 4 6 2 0 4 21 1 0 5 7 2 0 5 26 1 0 6 7 1 0 7 23 1 0 8 9 1 0 8 23 1 0 9 12 2 0 9 10 1 0 10 11 2 0 11 13 1 0 11 17 1 0 12 14 1 0 12 16 1 0 13 16 2 0 13 19 1 0 14 15 2 0 17 18 1 0 19 20 1 0 21 22 1 0 24 25 1 0 26 27 2 0 26 28 1 0 M END > 98542 > 38714-92-0 $$$$ SciTegic05042114222D 23 27 0 0 0 0 999 V2000 2.4133 -1.7530 0.0000 S 0 0 1.8032 -3.1233 0.0000 C 0 0 0.3114 -2.9665 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 3 -0.6928 -4.0817 0.0000 C 0 0 -0.3385 -5.5341 0.0000 C 0 0 -1.4233 -6.5700 0.0000 C 0 0 -2.8628 -6.1485 0.0000 C 0 0 -3.2175 -4.6910 0.0000 C 0 0 -2.1327 -3.6551 0.0000 C 0 0 1 2 1 0 1 4 1 0 2 3 2 0 3 17 1 0 3 18 1 0 4 5 1 0 4 17 2 0 5 8 2 0 5 6 1 0 6 7 2 0 7 9 1 0 8 10 1 0 8 11 1 0 9 10 2 0 11 12 2 0 11 15 1 0 12 13 1 0 12 17 1 0 13 14 2 0 14 16 1 0 15 16 2 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 M CHG 1 17 1 M END > 98904 > 13896-99-6 $$$$ SciTegic05042114222D 28 33 0 0 0 0 999 V2000 4.3700 0.3500 0.0000 C 0 0 4.3700 1.7900 0.0000 C 0 0 3.1200 -0.3400 0.0000 C 0 0 1.8600 0.3500 0.0000 C 0 0 1.8600 1.7900 0.0000 C 0 0 0.6100 -1.7800 0.0000 C 0 0 0.6100 -0.3400 0.0000 C 0 0 0.6000 0.7500 0.0000 C 0 0 -1.8800 1.1700 0.0000 C 0 0 0.6100 2.5200 0.0000 N 0 0 0.6047 3.5200 0.0000 H 0 0 -1.8600 2.5200 0.0000 N 0 0 1.8600 -2.5000 0.0000 N 0 0 -0.6100 -2.5000 0.0000 N 0 0 -0.6000 -0.7100 0.0000 C 0 0 -0.6047 -3.5000 0.0000 H 0 0 -0.6100 1.7900 0.0000 C 0 0 -0.6100 0.3500 0.0000 C 0 0 1.8800 -1.3000 0.0000 C 0 0 -1.8600 -1.7800 0.0000 C 0 0 -1.8600 -0.3400 0.0000 C 0 0 -3.1200 -2.5000 0.0000 C 0 0 -4.3700 -0.3400 0.0000 C 0 0 -4.3700 -1.7800 0.0000 C 0 0 -3.1200 0.3500 0.0000 C 0 0 3.1200 2.5200 0.0000 C 0 0 2.4518 -3.5439 0.0000 C 0 0 -2.4497 3.5651 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 26 2 0 3 4 1 0 4 7 1 0 4 5 2 0 5 10 1 0 5 26 1 0 6 14 1 0 6 13 1 0 6 7 1 0 7 18 1 0 7 8 1 0 8 9 1 0 9 12 1 0 10 17 1 0 10 11 1 0 12 17 1 0 12 28 1 0 13 19 1 0 13 27 1 0 14 16 1 0 14 20 1 0 15 19 1 0 15 18 1 0 17 18 1 0 18 21 1 0 20 22 1 0 20 21 2 0 21 25 1 0 22 24 2 0 23 24 1 0 23 25 2 0 M END > 99016 > 595-05-1 $$$$ SciTegic05042114222D 13 14 0 0 0 0 999 V2000 3.8945 4.9531 0.0000 Br 0 0 1.2990 -0.7500 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 3.8963 3.7531 0.0000 C 0 0 1 13 1 0 2 6 1 0 2 10 1 0 3 10 2 0 4 5 2 0 4 6 1 0 5 8 1 0 5 13 1 0 6 7 2 0 7 9 1 0 7 12 1 0 8 12 2 0 9 11 2 0 10 11 1 0 M END > 99027 > 53878-12-9 $$$$ SciTegic05042114222D 14 15 0 0 0 0 999 V2000 2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 -2.5981 -1.5000 0.0000 N 0 0 -2.5981 1.5000 0.0000 N 0 0 -2.5981 2.5000 0.0000 H 0 0 -3.8971 0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 1 9 2 0 2 9 1 0 2 12 1 0 2 14 1 0 3 10 2 0 3 9 1 0 4 12 2 0 5 11 2 0 5 13 1 0 6 8 1 0 6 10 1 0 6 7 1 0 8 13 2 0 10 11 1 0 11 12 1 0 M END > 99733 > 5016-18-2 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 -3.8912 -5.2578 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 -1.7360 3.5018 0.0000 H 0 0 -7.7875 -7.5110 0.0000 C 0 0 -7.7875 -6.0110 0.0000 C 0 0 -6.4884 -8.2610 0.0000 C 0 0 -5.1894 -7.5110 0.0000 C 0 0 -6.4885 -5.2610 0.0000 C 0 0 -5.1894 -6.0109 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -8.8267 -8.1111 0.0000 N 0 0 2.3383 1.3500 0.0000 N 0 0 -3.8933 -3.7570 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 1 14 2 0 2 21 2 0 2 14 1 0 3 11 1 0 3 24 1 0 4 13 1 0 4 21 1 0 5 19 1 0 6 8 2 0 6 7 1 0 6 22 1 0 7 10 2 0 8 9 1 0 9 11 2 0 10 11 1 0 12 13 2 0 12 14 1 0 12 26 1 0 13 15 1 0 15 19 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 20 2 0 19 20 1 0 21 23 1 0 24 25 1 0 25 26 1 0 M END > 100856 > 14937-58-7 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.3577 3.7096 0.0000 H 0 0 -0.3115 2.9665 0.0000 N 0 0 -4.3570 0.0307 0.0000 O 0 0 -1.8032 3.1233 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 1.7530 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -5.0460 2.3579 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -5.8565 0.0701 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 -6.3055 -2.2283 0.0000 O 0 0 -6.7662 -1.1203 0.0000 C 0 0 -7.4135 1.9091 0.0000 O 0 0 -5.0071 3.5572 0.0000 O 0 0 1 7 2 0 1 15 1 0 2 15 2 0 2 9 1 0 3 4 1 0 4 6 1 0 4 8 1 0 5 11 1 0 5 14 1 0 6 10 2 0 7 8 1 0 7 16 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 20 1 0 13 14 1 0 13 19 1 0 14 18 1 0 17 18 1 0 M END > 102811 > 6742-12-7 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 102815 $$$$ SciTegic05042114222D 52 58 0 0 0 0 999 V2000 -1.4764 2.3559 0.0000 C 0 0 -2.0064 2.3559 0.0000 C 0 0 -0.4264 1.8259 0.0000 C 0 0 -2.5364 1.8259 0.0000 C 0 0 -3.0664 1.8259 0.0000 C 0 0 0.1335 1.3059 0.0000 C 0 0 -1.4764 1.3059 0.0000 C 0 0 -1.9864 1.3059 0.0000 C 0 0 -3.5964 1.3059 0.0000 C 0 0 -0.4264 0.7759 0.0000 C 0 0 -0.9264 0.7759 0.0000 C 0 0 -2.5664 0.7759 0.0000 C 0 0 -3.0664 0.7759 0.0000 C 0 0 5.1504 -0.2420 0.0000 C 0 0 4.6204 -0.2420 0.0000 C 0 0 5.6804 -0.7620 0.0000 C 0 0 4.1004 -0.7620 0.0000 C 0 0 0.3545 -0.7660 0.0000 C 0 0 -0.6954 -0.7660 0.0000 C 0 0 5.1204 -1.2920 0.0000 C 0 0 4.6504 -1.2920 0.0000 C 0 0 -0.2254 -1.2960 0.0000 C 0 0 -1.2754 -1.2960 0.0000 C 0 0 2.9705 -1.8520 0.0000 C 0 0 1.9105 -1.8220 0.0000 C 0 0 0.8345 -1.8760 0.0000 C 0 0 -0.2254 -1.8300 0.0000 C 0 0 -1.2754 -1.8289 0.0000 C 0 0 2.9705 -2.3520 0.0000 C 0 0 1.9105 -2.3520 0.0000 C 0 0 0.3545 -2.3559 0.0000 C 0 0 -0.6954 -2.3559 0.0000 C 0 0 -4.1164 1.3059 0.0000 O 0 0 -3.6064 0.2359 0.0000 O 0 0 -1.7804 -0.7910 0.0000 O 0 0 -1.8154 -2.3689 0.0000 O 0 0 -0.9264 1.8259 0.0000 N 0 0 0.8345 -1.2960 0.0000 N 0 0 1.3855 -0.8460 0.0000 O 0 0 1.3855 -1.2960 0.0000 C 0 0 2.4905 -0.7620 0.0000 C 0 0 2.4905 -1.2920 0.0000 N 0 0 2.4905 -0.2910 0.0000 O 0 0 3.0405 -0.7620 0.0000 O 0 0 -4.6464 1.3059 0.0000 C 0 0 -4.1064 0.2359 0.0000 C 0 0 -2.3104 -0.7910 0.0000 C 0 0 -2.3254 -2.3689 0.0000 C 0 0 0.3545 -0.0049 0.0000 C 0 0 0.6335 1.3059 0.0000 C 0 0 1.6835 1.3059 0.0000 C 0 0 3.5704 -0.7620 0.0000 C 0 0 1 2 1 0 1 37 1 0 2 4 1 0 3 37 1 0 3 6 1 0 4 5 1 0 4 8 2 0 5 9 2 0 6 10 1 0 6 50 1 0 7 37 1 0 7 8 1 0 7 11 1 0 8 12 1 0 9 33 1 0 9 13 1 0 10 11 1 0 10 49 1 0 12 13 2 0 13 34 1 0 14 15 1 0 14 16 2 0 15 17 2 0 16 20 1 0 17 52 1 0 17 21 1 0 18 38 1 0 18 22 1 0 18 49 1 0 19 23 2 0 19 22 1 0 20 21 2 0 22 27 2 0 23 35 1 0 23 28 1 0 24 42 1 0 24 29 1 0 25 42 1 0 25 40 1 0 25 30 1 0 26 38 1 0 26 31 1 0 27 31 1 0 27 32 1 0 28 32 2 0 28 36 1 0 29 30 1 0 33 45 1 0 34 46 1 0 35 47 1 0 36 48 1 0 38 40 1 0 39 40 2 0 41 43 2 0 41 42 1 0 41 44 1 0 44 52 1 0 50 51 1 0 M END > 103248 > 15401-05-5 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.3260 5.8610 0.0000 Cl 0 0 -2.3471 5.8487 0.0000 Cl 0 0 -0.0031 3.0008 0.0000 N 0 0 -2.6531 -3.1237 0.0000 N 0 0 -1.3039 -3.7494 0.0000 C 0 0 -3.6607 -4.2349 0.0000 C 0 0 -2.9152 -5.5365 0.0000 O 0 0 -1.4469 -5.2297 0.0000 C 0 0 -0.5532 -6.0305 0.0000 O 0 0 1.2890 5.2570 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 1.2938 3.7562 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -5.1527 -4.0728 0.0000 C 0 0 -6.1232 -5.2100 0.0000 C 0 0 -7.5980 -4.9363 0.0000 C 0 0 -8.0984 -3.5222 0.0000 C 0 0 -7.1239 -2.3818 0.0000 C 0 0 -5.6491 -2.6556 0.0000 C 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 3 20 1 0 4 9 1 0 4 6 1 0 5 6 2 0 7 16 1 0 8 17 1 0 9 18 1 0 9 19 1 0 10 11 1 0 10 12 2 0 11 14 1 0 11 20 2 0 12 13 1 0 12 21 1 0 13 14 1 0 14 15 2 0 16 19 1 0 17 18 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > 104117 > 18776-75-5 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 12.7105 -10.3775 0.0000 Cl 0 0 8.0340 -10.3700 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 10.3769 -7.5237 0.0000 C 0 0 9.0765 -8.2716 0.0000 C 0 0 11.6747 -8.2758 0.0000 C 0 0 9.0742 -9.7716 0.0000 C 0 0 11.6723 -9.7758 0.0000 C 0 0 10.3720 -10.5237 0.0000 C 0 0 7.7795 -7.5165 0.0000 C 0 0 7.7840 -6.0157 0.0000 C 0 0 6.4870 -5.2605 0.0000 C 0 0 6.4915 -3.7597 0.0000 C 0 0 1.0531 -2.0753 0.0000 C 0 0 -1.0530 -2.0754 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 -2.3383 1.3500 0.0000 N 0 0 1 19 1 0 2 18 1 0 3 6 1 0 3 9 1 0 3 14 1 0 4 13 2 0 4 14 1 0 5 6 2 0 5 13 1 0 6 27 1 0 7 8 2 0 7 9 1 0 8 11 1 0 9 10 2 0 10 12 1 0 11 12 2 0 11 24 1 0 13 28 1 0 14 25 1 0 14 26 1 0 15 17 2 0 15 16 1 0 16 18 2 0 16 21 1 0 17 19 1 0 18 20 1 0 19 20 2 0 21 22 1 0 22 23 1 0 23 24 1 0 M END > 104129 > 15986-25-1 $$$$ SciTegic05042114222D 17 17 0 0 0 0 999 V2000 -0.6649 0.3859 0.0000 C 0 0 -0.6649 1.0469 0.0000 O 0 0 -0.0310 0.0199 0.0000 C 0 0 -0.0310 -0.7500 0.0000 Br 0 0 0.6010 0.3839 0.0000 C 0 0 0.6010 1.0649 0.0000 H 0 0 -1.9669 0.3689 0.0000 C 0 0 -2.6029 0.0019 0.0000 C 0 0 -1.3310 0.0019 0.0000 C 0 0 -1.3310 -0.7330 0.0000 C 0 0 -2.6029 -0.7330 0.0000 C 0 0 -1.9669 -1.1000 0.0000 C 0 0 -3.2330 -1.0970 0.0000 O 0 0 -3.8739 -0.7272 0.0000 C 0 0 1.3070 -0.0230 0.0000 C 0 0 1.9476 0.3474 0.0000 O 0 0 1.3074 -0.7629 0.0000 O 0 5 1 2 2 0 1 3 1 0 1 9 1 0 3 5 2 0 3 4 1 0 5 6 1 0 5 15 1 0 7 8 2 0 7 9 1 0 8 11 1 0 9 10 2 0 10 12 1 0 11 12 2 0 11 13 1 0 13 14 1 0 15 16 2 0 15 17 1 0 M CHG 1 17 -1 M END > 104801 > 2126-70-7 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 -4.6405 -2.9668 0.0000 O 0 0 -4.7578 -4.4622 0.0000 C 0 0 -3.3718 -5.0359 0.0000 C 0 0 -2.3979 -3.8950 0.0000 C 0 0 -3.1884 -2.6409 0.0000 C 0 0 -1.4005 -3.9670 0.0000 H 0 0 -6.0366 -5.2428 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 N 0 0 -7.0905 -4.6689 0.0000 O 0 0 2.3383 -1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 N 0 0 -3.0913 -6.2027 0.0000 O 0 0 1 2 1 0 1 5 1 0 2 3 1 0 2 7 1 0 3 4 1 0 3 20 1 0 4 5 1 0 4 6 1 0 5 16 1 0 7 17 1 0 8 9 2 0 8 13 1 0 8 18 1 0 9 10 1 0 10 11 2 0 10 19 1 0 11 12 1 0 11 14 1 0 12 13 2 0 12 16 1 0 14 15 2 0 15 16 1 0 M END > 105014 > 4291-63-8 $$$$ SciTegic05042114222D 14 15 0 0 0 0 999 V2000 -1.2990 -4.9500 0.0000 Br 0 0 1.0392 -3.6000 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.6373 -3.6000 0.0000 N 0 0 1 7 1 0 2 5 2 0 3 13 2 0 4 11 2 0 4 6 1 0 5 6 1 0 5 7 1 0 6 8 2 0 7 9 2 0 8 10 1 0 8 13 1 0 9 13 1 0 9 14 1 0 10 12 2 0 11 12 1 0 M END > 105808 > 14173-81-0 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 3.8990 -0.7455 0.0000 N 0 0 2.6003 -1.4977 0.0000 N 0 0 7.7985 -2.9932 0.0000 C 0 0 7.7985 -1.4932 0.0000 C 0 0 6.4995 -3.7432 0.0000 C 0 0 6.4994 -0.7432 0.0000 C 0 0 5.2004 -2.9933 0.0000 C 0 0 5.2003 -1.4932 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 8.8378 -3.5932 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 1 2 2 0 1 8 1 0 2 9 1 0 3 4 2 0 3 5 1 0 3 19 1 0 4 6 1 0 5 7 2 0 6 8 2 0 7 8 1 0 9 10 2 0 9 11 1 0 10 14 1 0 10 20 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 16 1 0 14 17 2 0 15 17 1 0 15 18 1 0 16 18 2 0 M END > 106296 > 6756-41-8 $$$$ SciTegic05042114222D 26 28 0 0 1 0 999 V2000 2.6602 -0.6072 0.0000 H 0 0 1.6852 -0.3846 0.0000 N 0 0 -2.2897 1.8259 0.0000 O 0 0 -1.6852 -0.3847 0.0000 N 0 0 -0.2715 -2.4355 0.0000 H 0 0 2.5913 1.9239 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 2.4792 3.4197 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 1.1278 4.0705 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -0.1116 3.2255 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 1 0 0 0 -0.7500 -1.5574 0.0000 C 0 0 2 0 0 0 -1.5613 -2.8153 0.0000 C 0 0 -3.0088 -2.4220 0.0000 C 0 0 -3.0821 -0.9238 0.0000 C 0 0 3.4707 4.0957 0.0000 C 0 0 3.6726 1.4034 0.0000 O 0 0 1.4048 -2.9100 0.0000 O 0 0 2.6016 -2.9980 0.0000 C 0 0 -4.1784 -3.3584 0.0000 C 0 0 -5.5769 -2.8137 0.0000 C 0 0 -6.7484 -3.7517 0.0000 C 0 0 -7.8666 -3.3161 0.0000 O 0 0 -6.5669 -4.9379 0.0000 N 0 0 1 2 1 0 2 7 1 0 2 13 1 0 3 11 2 0 4 11 1 0 4 14 1 0 4 17 1 0 14 5 1 1 6 8 2 0 6 7 1 0 6 19 1 0 7 9 2 0 8 10 1 0 8 18 1 0 9 11 1 0 9 12 1 0 10 12 2 0 13 14 1 0 13 20 1 6 14 15 1 0 15 16 1 0 16 17 2 0 16 22 1 0 20 21 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 M END > 106408 > 5544-25-2 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 -1.5000 0.0000 N 0 0 3.8971 -0.7500 0.0000 C 0 0 3.8971 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 N 0 0 5.1962 -1.5000 0.0000 C 0 0 6.4952 -0.7500 0.0000 C 0 0 6.4952 0.7500 0.0000 C 0 0 5.1961 1.5000 0.0000 C 0 0 5.1993 -3.0008 0.0000 C 0 0 6.2393 -3.5993 0.0000 O 0 0 -0.0031 3.0008 0.0000 C 0 0 1.0351 3.6026 0.0000 O 0 0 -1.3039 3.7494 0.0000 O 0 0 -1.3064 4.9494 0.0000 C 0 0 7.5344 -1.3500 0.0000 O 0 0 5.1961 2.7000 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 10 1 0 3 4 2 0 3 17 1 0 4 5 1 0 5 6 2 0 6 23 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 9 14 1 0 11 12 2 0 11 15 1 0 12 13 1 0 12 21 1 0 13 14 2 0 14 22 1 0 15 16 2 0 17 18 2 0 17 19 1 0 19 20 1 0 M END > 106995 > 26786-84-5 $$$$ SciTegic05042114222D 26 25 0 0 0 0 999 V2000 6.5000 0.7500 0.0000 C 0 0 6.5000 1.9500 0.0000 O 0 0 15.5999 0.0000 0.0000 C 0 0 15.5999 -1.2000 0.0000 O 0 0 19.4998 0.7500 0.0000 N 0 0 20.7998 0.0000 0.0000 C 0 0 20.7998 -1.2000 0.0000 O 0 0 0.2606 0.1503 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 1.3000 1.9500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 C 0 0 12.9999 0.0000 0.0000 C 0 0 14.2999 0.7500 0.0000 C 0 0 16.8999 0.7500 0.0000 C 0 0 18.1999 0.0000 0.0000 C 0 0 19.4998 1.9500 0.0000 O 0 0 22.0998 1.9500 0.0000 N 0 0 22.0998 0.7500 0.0000 C 0 0 23.3998 0.0000 0.0000 C 0 0 24.4392 0.5997 0.0000 O 0 0 1 2 2 0 1 13 1 0 1 14 1 0 3 4 2 0 3 19 1 0 3 20 1 0 5 6 1 0 5 21 1 0 5 22 1 0 6 7 2 0 6 24 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 20 21 1 0 23 24 1 0 24 25 1 0 25 26 1 0 M END > 106997 $$$$ SciTegic05042114222D 82 90 0 0 0 0 999 V2000 -7.3943 -12.5283 0.0000 H 0 0 -6.4462 -12.8462 0.0000 N 0 0 -3.8995 -5.2450 0.0000 O 0 0 -1.3021 -5.2508 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 5.4652 27.0323 0.0000 H 0 0 6.4191 26.7323 0.0000 N 0 0 5.1823 10.0839 0.0000 O 0 0 5.5758 12.3937 0.0000 O 0 0 4.0119 19.0857 0.0000 O 0 0 6.1167 17.5639 0.0000 O 0 0 2.5922 12.7071 0.0000 C 0 0 3.2023 11.3368 0.0000 C 0 0 3.4739 13.9207 0.0000 C 0 0 2.8637 15.2910 0.0000 C 0 0 3.7453 16.5045 0.0000 C 0 0 5.2371 16.3478 0.0000 C 0 0 4.9656 13.7640 0.0000 C 0 0 4.6942 11.1801 0.0000 C 0 0 5.8473 14.9775 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 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 0.0000 -3.0000 0.0000 C 0 0 0.0934 6.1101 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 2.5205 6.1100 0.0000 C 0 0 2.0570 7.5366 0.0000 C 0 0 -2.6029 -5.9994 0.0000 C 0 0 -2.6082 -7.4994 0.0000 C 0 0 -3.9098 -8.2449 0.0000 C 0 0 -5.2011 -5.9905 0.0000 C 0 0 -5.2062 -7.4905 0.0000 C 0 0 5.5043 18.9340 0.0000 C 0 0 6.3816 20.1507 0.0000 C 0 0 5.7668 21.5189 0.0000 C 0 0 3.3970 20.4539 0.0000 C 0 0 4.2744 21.6705 0.0000 C 0 0 -5.2297 -11.9906 0.0000 C 0 0 -4.0192 -12.8546 0.0000 C 0 0 -4.4876 -14.2796 0.0000 C 0 0 -5.9876 -14.2744 0.0000 C 0 0 6.9004 25.3251 0.0000 C 0 0 8.3876 25.3126 0.0000 C 0 0 8.8461 26.7408 0.0000 C 0 0 7.6295 27.6182 0.0000 C 0 0 -6.6963 -15.2428 0.0000 C 0 0 -5.2215 -10.4898 0.0000 C 0 0 -6.2576 -9.8844 0.0000 O 0 0 -3.9181 -9.7458 0.0000 O 0 0 -6.5071 -8.2391 0.0000 O 0 0 -6.5095 -9.4391 0.0000 C 0 0 -6.2280 -6.6113 0.0000 C 0 0 -5.1688 -4.7909 0.0000 C 0 0 -1.5711 -8.1030 0.0000 O 0 0 1.0392 -3.6000 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.3421 3.1476 0.0000 O 0 0 3.6595 5.7324 0.0000 C 0 0 0.5570 7.5366 0.0000 N 0 0 7.6253 28.8182 0.0000 C 0 0 2.9351 8.7506 0.0000 C 0 0 4.1287 8.6272 0.0000 O 0 0 2.3227 10.1208 0.0000 N 0 0 6.0250 24.1060 0.0000 C 0 0 4.8309 24.2252 0.0000 O 0 0 6.6422 22.7380 0.0000 O 0 0 3.6620 23.0407 0.0000 O 0 0 4.3653 24.0130 0.0000 C 0 0 1.3988 12.8326 0.0000 O 0 0 2.9311 21.5597 0.0000 C 0 0 2.7181 19.4644 0.0000 C 0 0 7.0407 14.8521 0.0000 C 0 0 7.5755 20.0295 0.0000 O 0 0 1 2 1 0 2 45 1 0 2 48 1 0 3 35 1 0 3 38 1 0 4 29 1 0 4 35 1 0 5 27 1 0 5 28 1 0 6 27 2 0 7 8 1 0 8 49 1 0 8 52 1 0 9 20 2 0 10 19 1 0 10 20 1 0 11 40 1 0 11 43 1 0 12 18 1 0 12 40 1 0 13 14 2 0 13 15 1 0 13 78 1 0 14 20 1 0 14 72 1 0 15 19 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 21 2 0 19 21 1 0 21 81 1 0 22 24 2 0 22 23 1 0 22 63 1 0 23 25 2 0 23 28 1 0 24 27 1 0 24 64 1 0 25 26 1 0 26 29 2 0 28 30 2 0 29 30 1 0 30 62 1 0 31 32 2 0 31 68 1 0 32 33 1 0 32 65 1 0 33 34 2 0 33 67 1 0 34 68 1 0 34 70 1 0 35 36 1 0 36 37 1 0 36 61 1 0 37 39 1 0 37 56 1 0 38 39 1 0 38 59 1 0 38 60 1 0 39 57 1 0 40 41 1 0 41 42 1 0 41 82 1 0 42 44 1 0 42 75 1 0 43 44 1 0 43 79 1 0 43 80 1 0 44 76 1 0 45 46 2 0 45 54 1 0 46 47 1 0 47 48 2 0 48 53 1 0 49 50 2 0 49 73 1 0 50 51 1 0 51 52 2 0 52 69 1 0 54 55 2 0 54 56 1 0 57 58 1 0 64 65 1 0 65 66 2 0 70 71 2 0 70 72 1 0 73 74 2 0 73 75 1 0 76 77 1 0 M END > 107412 > 4434-05-3 $$$$ SciTegic05042114222D 16 19 0 0 0 0 999 V2000 -0.3600 0.8000 0.0000 N 0 0 -0.3100 -0.9000 0.0000 O 0 0 0.1309 -3.1618 0.0000 O 0 0 0.5000 -2.0200 0.0000 C 0 0 1.8000 -1.5900 0.0000 C 0 0 1.6700 -0.3500 0.0000 C 0 0 0.4300 0.1500 0.0000 C 0 0 -0.7600 -0.6200 0.0000 C 0 0 0.5200 2.9400 0.0000 C 0 0 -2.2000 -0.9900 0.0000 C 0 0 -3.2500 0.0500 0.0000 C 0 0 2.8300 0.0000 0.0000 C 0 0 -2.8500 1.4900 0.0000 C 0 0 1.0200 1.5600 0.0000 C 0 0 2.3300 1.1100 0.0000 C 0 0 -1.4100 1.8600 0.0000 C 0 0 1 8 1 0 1 16 1 0 1 14 1 0 2 4 1 0 2 7 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 12 1 0 7 8 1 0 7 9 1 0 8 10 1 0 9 14 1 0 10 11 1 0 11 13 1 0 12 15 2 0 13 16 1 0 14 15 1 0 M END > 107415 > 884-68-4 $$$$ SciTegic05042114222D 58 64 0 0 0 0 999 V2000 8.7110 -1.7057 0.0000 C 0 0 2.0000 -1.4976 0.0000 C 0 0 2.3713 -0.1330 0.0000 C 0 0 3.3646 -1.8689 0.0000 C 0 0 15.7534 2.3603 0.0000 C 0 0 4.6966 4.8844 0.0000 C 0 0 13.9795 4.3911 0.0000 C 0 0 7.2516 5.7463 0.0000 C 0 0 7.3783 -5.0814 0.0000 C 0 0 6.6314 -5.7463 0.0000 C 0 0 7.1759 -4.1021 0.0000 C 0 0 5.6821 -5.4320 0.0000 C 0 0 14.0133 1.3253 0.0000 C 0 0 5.6793 3.1143 0.0000 C 0 0 12.2212 2.3600 0.0000 C 0 0 7.7486 3.1063 0.0000 C 0 0 4.8359 -2.9777 0.0000 C 0 0 13.1033 -0.1815 0.0000 C 0 0 5.7072 1.3542 0.0000 C 0 0 12.2373 -0.6815 0.0000 C 0 0 6.2038 0.4862 0.0000 C 0 0 10.4773 1.3531 0.0000 C 0 0 10.4773 -0.7162 0.0000 C 0 0 8.7071 -0.7057 0.0000 C 0 0 6.3282 -2.0143 0.0000 C 0 0 8.7071 1.3426 0.0000 C 0 0 6.2265 -3.7877 0.0000 C 0 0 5.4797 -4.4527 0.0000 C 0 0 13.1033 0.8185 0.0000 C 0 0 6.2105 2.2184 0.0000 C 0 0 12.2373 1.3185 0.0000 C 0 0 7.2105 2.2144 0.0000 C 0 0 14.0213 2.3669 0.0000 C 0 0 6.1966 4.0184 0.0000 C 0 0 13.1192 2.8877 0.0000 C 0 0 7.2382 4.0143 0.0000 C 0 0 5.8249 -2.8784 0.0000 C 0 0 9.5712 0.8393 0.0000 C 0 0 11.3712 0.8185 0.0000 C 0 0 9.5712 -0.2023 0.0000 C 0 0 7.7071 1.3465 0.0000 C 0 0 6.3321 -1.0143 0.0000 C 0 0 7.2000 -0.5177 0.0000 C 0 0 4.6000 -1.0076 0.0000 C 0 0 2.8679 -1.0009 0.0000 C 0 0 4.6229 -3.9487 0.0000 N 0 0 5.4679 -0.5110 0.0000 N 0 0 11.3712 -0.1815 0.0000 N 0 0 7.2038 0.4824 0.0000 N 0 0 8.0641 -1.0209 0.0000 O 0 0 4.5962 -2.0076 0.0000 O 0 0 14.8893 2.8636 0.0000 O 0 0 5.6966 4.8844 0.0000 O 0 0 13.1154 3.8877 0.0000 O 0 0 7.7449 4.8765 0.0000 O 0 0 3.7359 -0.5043 0.0000 O 0 0 4.0547 -4.1967 0.0000 H 0 0 5.4703 0.1091 0.0000 H 0 0 1 24 1 0 2 45 1 0 3 45 1 0 4 45 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 9 10 2 0 9 11 1 0 10 12 1 0 11 27 2 0 12 28 2 0 13 29 2 0 13 33 1 0 14 30 2 0 14 34 1 0 15 31 2 0 15 35 1 0 16 32 2 0 16 36 1 0 17 37 2 0 17 46 1 0 18 20 1 0 18 29 1 0 19 21 1 0 19 30 1 0 20 48 1 0 21 49 1 0 22 38 1 0 22 39 1 0 23 40 1 0 23 48 1 0 24 40 1 0 25 37 1 0 25 42 1 0 26 38 1 0 26 41 1 0 27 28 1 0 27 37 1 0 28 46 1 0 29 31 1 0 30 32 1 0 31 39 1 0 32 41 1 0 33 35 2 0 33 52 1 0 34 36 2 0 34 53 1 0 35 54 1 0 36 55 1 0 38 40 1 0 39 48 1 0 41 49 1 0 42 43 1 0 42 47 1 0 43 49 1 0 43 50 2 0 44 47 1 0 44 51 2 0 44 56 1 0 45 56 1 0 46 57 1 0 47 58 1 0 M END > 109350 $$$$ SciTegic05042114222D 29 33 0 0 0 0 999 V2000 2.5968 6.0029 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2990 5.2508 0.0000 C 0 0 -0.0012 5.9988 0.0000 C 0 0 -0.0036 7.4988 0.0000 C 0 0 1.2942 8.2509 0.0000 C 0 0 2.5945 7.5029 0.0000 C 0 0 3.8977 3.7504 0.0000 C 0 0 5.1981 3.0025 0.0000 C 0 0 6.4959 3.7546 0.0000 C 0 0 6.4935 5.2546 0.0000 C 0 0 5.1933 6.0025 0.0000 C 0 0 3.8954 5.2505 0.0000 C 0 0 -1.2997 3.7504 0.0000 C 0 0 -1.3022 5.2504 0.0000 C 0 0 -2.6024 5.9984 0.0000 C 0 0 -3.9003 5.2463 0.0000 C 0 0 -3.8979 3.7463 0.0000 C 0 0 -2.5977 2.9984 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 1 12 2 0 1 16 1 0 2 5 1 0 2 10 1 0 2 29 1 0 3 4 1 0 3 5 1 0 4 7 1 0 4 17 1 0 5 6 1 0 6 8 1 0 6 9 1 0 7 8 1 0 7 12 1 0 8 23 1 0 9 11 1 0 10 11 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 M END > 109444 > 14509-96-7 $$$$ SciTegic05042114222D 14 15 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 0.0000 -2.7000 0.0000 O 0 0 -4.9363 -1.3500 0.0000 O 0 0 2.3383 -1.3500 0.0000 N 0 0 0.0000 2.7000 0.0000 N 0 0 -2.5981 -1.5000 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 12 1 0 2 3 1 0 3 4 1 0 3 13 2 0 4 5 2 0 4 7 1 0 5 6 1 0 5 14 1 0 6 10 2 0 7 8 2 0 8 9 1 0 9 11 2 0 9 14 1 0 M END > 111041 $$$$ SciTegic05042114222D 33 37 0 0 0 0 999 V2000 2.7272 -1.1906 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 3.6011 0.0286 0.0000 C 0 0 2.7117 1.2364 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -5.1962 -6.0000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -5.1962 -3.0000 0.0000 C 0 0 -6.4952 -5.2500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -6.4952 -3.7500 0.0000 C 0 0 -7.5344 -5.8500 0.0000 O 0 0 -6.4669 -2.5503 0.0000 C 0 0 -2.8579 -4.3500 0.0000 C 0 0 -7.5200 -4.3742 0.0000 C 0 0 4.3839 -2.8461 0.0000 C 0 0 -2.5981 -0.3000 0.0000 C 0 0 3.2073 -2.6100 0.0000 C 0 0 2.4148 -3.5110 0.0000 C 0 0 -2.3383 -0.1500 0.0000 C 0 0 1.3958 2.2452 0.0000 C 0 0 0.3974 2.9109 0.0000 O 0 0 2.4714 2.7774 0.0000 O 0 0 1 2 1 0 1 3 1 0 1 28 1 0 2 5 1 0 2 6 1 0 3 4 1 0 4 5 1 0 5 9 1 0 5 31 1 0 6 7 1 0 6 10 1 0 7 8 1 0 8 11 1 0 9 12 1 0 10 12 1 0 10 13 1 0 10 30 1 0 11 14 1 0 11 13 1 0 13 17 1 0 13 27 1 0 14 15 1 0 14 18 1 0 14 24 1 0 15 16 1 0 16 19 1 0 17 20 1 0 18 21 1 0 18 20 1 0 19 21 1 0 19 22 1 0 21 23 1 0 21 25 1 0 26 28 2 0 28 29 1 0 31 32 2 0 31 33 1 0 M END > 113090 > 472-15-1 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 115493 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -0.0102 7.4994 0.0000 C 0 0 -0.0049 5.9994 0.0000 C 0 0 -1.3118 8.2449 0.0000 C 0 0 -1.3014 5.2449 0.0000 C 0 0 -2.6083 7.4904 0.0000 C 0 0 -2.6031 5.9904 0.0000 C 0 0 1.2959 5.2508 0.0000 C 0 0 2.3341 5.8527 0.0000 O 0 0 3.6373 3.6000 0.0000 O 0 0 -2.3383 1.3500 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -1.5548 -3.6021 0.0000 O 0 0 -3.8933 -3.7570 0.0000 O 0 0 -3.8912 -5.2578 0.0000 C 0 0 -4.9292 -5.8600 0.0000 C 0 0 1 5 1 0 1 9 1 0 2 9 2 0 3 4 2 0 3 5 1 0 4 7 1 0 4 20 1 0 5 6 2 0 6 8 1 0 6 11 1 0 7 11 2 0 7 18 1 0 8 10 2 0 8 21 1 0 9 10 1 0 10 22 1 0 12 14 2 0 12 13 1 0 13 15 2 0 13 18 1 0 14 16 1 0 15 17 1 0 16 17 2 0 18 19 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 M END > 115538 > 5852-02-8 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 116693 $$$$ SciTegic05042114222D 29 33 0 0 0 0 999 V2000 -0.0588 -3.1038 0.0000 C 0 0 -0.0588 -2.1038 0.0000 N 0 0 -0.9248 -1.6038 0.0000 C 0 0 0.8072 -1.6038 0.0000 C 0 0 -0.9248 -0.6038 0.0000 C 0 0 -1.7909 -2.1039 0.0000 C 0 0 0.8072 -0.6039 0.0000 C 0 0 1.6731 -2.1039 0.0000 C 0 0 -0.0588 -0.1038 0.0000 Sn 0 0 -1.7909 -0.1038 0.0000 C 0 0 -2.6570 -1.6038 0.0000 C 0 0 1.6732 -0.1040 0.0000 C 0 0 2.5391 -1.6040 0.0000 C 0 0 -0.6237 0.7213 0.0000 C 0 0 0.7126 0.8154 0.0000 C 0 0 -2.6570 -0.6038 0.0000 C 0 0 2.5392 -0.6041 0.0000 C 0 0 -1.6208 0.6446 0.0000 C 0 0 -0.1917 1.6231 0.0000 C 0 0 0.3707 1.7551 0.0000 C 0 0 1.6974 0.6417 0.0000 C 0 0 -3.5230 -0.1038 0.0000 C 0 0 3.4053 -0.1042 0.0000 C 0 0 -2.1857 1.4697 0.0000 C 0 0 -0.7566 2.4482 0.0000 C 0 0 1.0135 2.5211 0.0000 C 0 0 2.3402 1.4077 0.0000 C 0 0 -1.7536 2.3715 0.0000 C 0 0 1.9983 2.3474 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 2 1 0 5 3 2 0 6 3 1 0 7 4 2 0 8 4 1 0 9 5 1 0 10 5 1 0 11 6 2 0 12 7 1 0 13 8 2 0 14 9 1 0 15 9 1 0 16 10 2 0 17 12 2 0 18 14 2 0 19 14 1 0 20 15 2 0 21 15 1 0 22 16 1 0 23 17 1 0 24 18 1 0 25 19 2 0 26 20 1 0 27 21 2 0 28 24 2 0 29 26 2 0 9 7 1 0 16 11 1 0 17 13 1 0 28 25 1 0 29 27 1 0 M END > 118030 > 17154-54-0 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 -0.3114 -2.9665 0.0000 N 0 0 0.3578 -3.7096 0.0000 H 0 0 -2.4032 -4.1625 0.0000 O 0 0 -3.8794 -1.4442 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.8143 -0.8248 0.0000 C 0 0 -6.3509 -2.2515 0.0000 C 0 0 -8.2815 -0.5127 0.0000 C 0 0 -9.2853 -1.6273 0.0000 C 0 0 -7.3549 -3.3660 0.0000 C 0 0 -8.8220 -3.0539 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -2.3383 1.3500 0.0000 C 0 0 -4.8823 -2.5608 0.0000 N 0 0 -6.8943 -4.7945 0.0000 N 0 3 -5.7210 -5.0462 0.0000 O 0 5 -7.6987 -5.6849 0.0000 O 0 0 1 7 1 0 1 11 1 0 1 2 1 0 3 11 2 0 4 10 2 0 4 21 1 0 5 6 2 0 5 7 1 0 5 19 1 0 6 9 1 0 7 8 2 0 8 10 1 0 8 12 1 0 9 12 2 0 10 11 1 0 12 20 1 0 13 15 2 0 13 14 1 0 14 17 2 0 14 21 1 0 15 16 1 0 16 18 2 0 17 18 1 0 17 22 1 0 22 23 1 0 22 24 2 0 M CHG 2 22 1 23 -1 M END > 118732 > 21231-35-6 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 Cl 0 0 -0.3114 -2.9665 0.0000 N 0 0 0.3578 -3.7096 0.0000 H 0 0 -2.4032 -4.1625 0.0000 O 0 0 -3.8794 -1.4442 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.4133 -1.7530 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.8143 -0.8248 0.0000 C 0 0 -6.3509 -2.2515 0.0000 C 0 0 -8.2815 -0.5127 0.0000 C 0 0 -9.2853 -1.6273 0.0000 C 0 0 -7.3549 -3.3660 0.0000 C 0 0 -8.8220 -3.0539 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -4.8823 -2.5608 0.0000 N 0 0 -6.8943 -4.7945 0.0000 N 0 3 -5.7210 -5.0462 0.0000 O 0 5 -7.6987 -5.6849 0.0000 O 0 0 1 13 1 0 2 8 1 0 2 12 1 0 2 3 1 0 4 12 2 0 5 11 2 0 5 21 1 0 6 7 2 0 6 8 1 0 6 20 1 0 7 10 1 0 8 9 2 0 9 11 1 0 9 13 1 0 10 13 2 0 11 12 1 0 14 16 2 0 14 15 1 0 15 18 2 0 15 21 1 0 16 17 1 0 17 19 2 0 18 19 1 0 18 22 1 0 22 23 1 0 22 24 2 0 M CHG 2 22 1 23 -1 M END > 118735 > 21231-30-1 $$$$ SciTegic05042114222D 14 14 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5955 2.7031 0.0000 C 0 0 3.6375 0.9049 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -1.0432 -3.5994 0.0000 C 0 0 1.0351 -3.6026 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.6387 0.8962 0.0000 C 0 0 1 5 2 0 1 6 1 0 2 4 2 0 2 5 1 0 3 6 2 0 3 4 1 0 4 13 1 0 5 7 1 0 6 10 1 0 7 8 1 0 7 9 1 0 10 11 1 0 10 12 1 0 13 14 1 0 M END > 118742 > 35832-09-8 $$$$ SciTegic05042114222D 10 10 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 N 0 0 -1.3070 -5.2502 0.0000 C 0 0 -1.3094 -6.4502 0.0000 S 0 0 1 3 2 0 1 2 1 0 2 4 2 0 2 7 1 0 3 5 1 0 4 6 1 0 5 6 2 0 7 8 1 0 8 9 2 0 9 10 2 0 M END > 118976 > 622-78-6 $$$$ SciTegic05042114222D 19 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -3.7124 4.0030 0.0000 S 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.6105 5.2165 0.0000 C 0 0 -3.7125 6.7423 0.0000 C 0 0 -3.1023 5.3733 0.0000 C 0 0 -2.8308 7.9559 0.0000 C 0 0 -1.3391 7.7991 0.0000 C 0 0 -0.7290 6.4288 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.6373 0.9000 0.0000 C 0 0 1.0392 3.6000 0.0000 C 0 0 1 17 2 0 1 7 1 0 2 4 1 0 2 13 1 0 3 5 2 0 3 4 1 0 3 18 1 0 4 8 2 0 5 6 1 0 5 9 1 0 6 7 2 0 8 10 1 0 8 11 1 0 9 10 2 0 9 17 1 0 10 19 1 0 11 13 2 0 11 16 1 0 12 14 2 0 12 13 1 0 14 15 1 0 15 16 2 0 M END > 119686 > 21339-68-4 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 119875 > 15663-27-1 $$$$ SciTegic05042114222D 29 32 0 0 1 0 999 V2000 -0.4630 -0.3199 0.0000 C 0 0 -0.4630 -1.0599 0.0000 C 0 0 0.1780 -1.4299 0.0000 C 0 0 0.8189 -1.0599 0.0000 C 0 0 0.8189 -0.3199 0.0000 C 0 0 0.1780 0.0499 0.0000 C 0 0 1.5230 -1.2889 0.0000 N 0 0 1.9569 -0.6899 0.0000 C 0 0 2 0 0 0 1.5219 -0.0910 0.0000 C 0 0 1 0 0 0 1.9569 -1.8870 0.0000 C 0 0 2.6610 -1.6590 0.0000 C 0 0 2 0 0 0 2.6610 -0.9189 0.0000 C 0 0 1 0 0 0 3.4169 -1.2899 0.0000 N 0 0 3.2369 -0.5199 0.0000 H 0 0 3.1669 -2.1900 0.0000 H 0 0 1.8169 0.6299 0.0000 C 0 0 0.1780 0.7899 0.0000 O 0 0 0.1780 -2.1699 0.0000 O 0 0 -1.7450 -0.3199 0.0000 C 0 0 -2.3859 0.0499 0.0000 C 0 0 -1.1040 -1.4299 0.0000 C 0 0 -3.0260 -0.3199 0.0000 C 0 0 2.4669 -0.1899 0.0000 O 0 0 2.2825 0.5266 0.0000 C 0 0 2.5499 0.7299 0.0000 O 0 0 2.8299 1.4149 0.0000 C 0 0 2.3759 2.0000 0.0000 O 0 0 3.5630 1.5159 0.0000 N 0 0 -1.1040 0.0499 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 29 1 0 2 3 1 0 2 21 1 0 3 4 1 0 3 18 2 0 4 5 2 0 4 7 1 0 5 6 1 0 5 9 1 0 6 17 2 0 7 8 1 0 7 10 1 0 8 9 1 0 8 12 1 0 8 23 1 1 9 16 1 6 10 11 1 0 11 12 1 0 11 13 1 0 11 15 1 1 12 13 1 0 12 14 1 1 16 25 1 0 19 20 1 0 19 29 1 0 20 22 1 0 23 24 1 0 25 26 1 0 26 27 2 0 26 28 1 0 M END > 123115 > 16910-79-5 $$$$ SciTegic05042114222D 26 30 0 0 0 0 999 V2000 1.8032 -3.1233 0.0000 C 0 0 0.3114 -2.9665 0.0000 O 0 0 2.4133 -1.7530 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 N 0 3 -6.4952 0.7500 0.0000 C 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -7.7942 1.5000 0.0000 C 0 0 -7.7942 3.0000 0.0000 C 0 0 -6.4952 3.7500 0.0000 C 0 0 -6.4983 5.2508 0.0000 O 0 0 -9.0956 3.7477 0.0000 O 0 0 -3.8971 -0.4500 0.0000 O 0 0 -7.5384 5.8493 0.0000 C 0 0 -10.1339 3.1462 0.0000 C 0 0 1 3 1 0 1 2 1 0 2 5 1 0 3 4 1 0 4 6 2 0 4 5 1 0 5 7 2 0 6 9 1 0 7 8 1 0 8 9 2 0 8 10 1 0 9 11 1 0 10 15 1 0 10 12 2 0 11 13 1 0 12 14 1 0 12 24 1 0 13 15 1 0 14 17 2 0 14 16 1 0 15 18 2 0 16 19 2 0 17 18 1 0 17 21 1 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 22 25 1 0 23 26 1 0 M CHG 1 15 1 M END > 123390 > 5058-45-7 $$$$ SciTegic05042114222D 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 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 125176 $$$$ SciTegic05042114222D 29 33 0 0 0 0 999 V2000 7.7979 -2.6973 0.0000 C 0 0 7.7893 2.7089 0.0000 C 0 0 -3.6387 0.8962 0.0000 C 0 0 3.9002 -0.7504 0.0000 C 0 0 5.2005 -1.4983 0.0000 C 0 0 5.1957 1.5017 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 3.1022 5.3733 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 3.8978 0.7496 0.0000 C 0 0 6.4983 -0.7463 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.4959 0.7537 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 3.7124 4.0030 0.0000 C 0 0 4.8861 3.7534 0.0000 O 0 0 1.6105 5.2165 0.0000 O 0 0 -0.3114 -2.9665 0.0000 O 0 0 -2.4133 -1.7530 0.0000 O 0 0 7.7977 -1.4973 0.0000 O 0 0 7.7929 1.5089 0.0000 O 0 0 -2.6003 1.4977 0.0000 O 0 0 1 27 1 0 2 28 1 0 3 29 1 0 4 5 2 0 4 11 1 0 5 12 1 0 6 11 2 0 6 15 1 0 7 13 2 0 7 14 1 0 8 16 1 0 8 19 1 0 9 22 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 20 1 0 12 15 2 0 12 27 1 0 13 16 1 0 13 20 1 0 14 17 2 0 14 25 1 0 15 28 1 0 16 18 2 0 17 18 1 0 17 26 1 0 18 29 1 0 19 21 1 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 2 0 M END > 126727 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 126728 > 3148-09-2 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 3.8916 4.9570 0.0000 Cl 0 0 4.9336 3.1588 0.0000 Cl 0 0 1 3 2 0 2 11 2 0 3 4 1 0 3 5 1 0 4 8 2 0 4 14 1 0 5 9 2 0 5 6 1 0 6 7 2 0 7 10 1 0 8 11 1 0 8 13 1 0 9 12 1 0 9 11 1 0 10 12 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > 126771 > 36417-16-0 $$$$ SciTegic05042114222D 17 18 0 0 0 0 999 V2000 2.7343 -2.9815 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 2.3383 1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.0971 -5.6353 0.0000 O 0 0 6.1467 -1.8742 0.0000 O 0 0 4.8054 -4.6666 0.0000 C 0 0 4.1955 0.2934 0.0000 O 0 0 1 10 1 0 1 13 1 0 2 5 2 0 3 8 1 0 3 9 1 0 3 10 1 0 4 8 2 0 5 6 1 0 5 7 1 0 6 9 2 0 7 8 1 0 10 11 1 0 11 12 1 0 11 17 1 0 12 13 1 0 12 15 1 0 13 16 1 0 14 16 1 0 M END > 126849 > 39935-49-4 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 3.8991 0.7525 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -4.9500 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 6.4963 0.7536 0.0000 O 0 0 6.4965 -0.4464 0.0000 C 0 0 6.4915 3.7597 0.0000 O 0 0 6.4879 4.9597 0.0000 C 0 0 1 11 2 0 2 8 1 0 2 14 1 0 3 5 2 0 3 4 1 0 4 6 2 0 4 20 1 0 5 7 1 0 5 8 1 0 6 10 1 0 6 22 1 0 7 10 2 0 8 9 2 0 9 11 1 0 11 12 1 0 12 14 2 0 12 17 1 0 13 15 2 0 13 14 1 0 15 16 1 0 15 18 1 0 16 17 2 0 17 19 1 0 20 21 1 0 22 23 1 0 M END > 128305 > 4712-12-3 $$$$ SciTegic05042114222D 17 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -2.4133 1.7530 0.0000 N 0 0 -0.3115 2.9665 0.0000 N 0 0 0.5701 4.1788 0.0000 N 0 0 -0.0400 5.5491 0.0000 N 0 0 -4.5154 6.0195 0.0000 C 0 0 -3.6337 7.2330 0.0000 C 0 0 -3.9053 4.6491 0.0000 C 0 0 -2.1419 7.0762 0.0000 C 0 0 -2.4135 4.4923 0.0000 C 0 0 -1.5318 5.7059 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 17 2 0 1 14 1 0 2 12 2 0 2 15 1 0 3 4 1 0 3 12 1 0 3 16 1 0 4 5 2 0 5 11 1 0 6 8 2 0 6 7 1 0 7 9 2 0 8 10 1 0 9 11 1 0 10 11 2 0 10 12 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 M END > 128734 > 18091-77-5 $$$$ SciTegic05042114222D 37 41 0 0 1 0 999 V2000 -2.8699 1.3320 0.0000 H 0 0 -1.2839 2.2469 0.0000 N 0 0 -0.0029 -1.1329 0.0000 H 0 0 -2.0829 3.6300 0.0000 C 0 0 -1.2839 3.1689 0.0000 C 0 0 -2.8810 3.1689 0.0000 C 0 0 -3.6799 3.6300 0.0000 C 0 0 -4.4779 3.1689 0.0000 C 0 0 -2.8810 2.2469 0.0000 C 0 0 -4.4779 2.2469 0.0000 C 0 0 -3.6799 1.7860 0.0000 C 0 0 -2.0829 1.7860 0.0000 C 0 0 2 0 0 0 -2.0829 0.8639 0.0000 C 0 0 -1.2839 0.4030 0.0000 C 0 0 -0.4859 1.7860 0.0000 C 0 0 -0.4859 0.8639 0.0000 C 0 0 -0.4499 -1.9079 0.0000 C 0 0 2 0 0 0 0.3490 -2.3690 0.0000 C 0 0 1.1470 -1.9079 0.0000 C 0 0 1.9460 -2.3690 0.0000 C 0 0 1.9460 -3.2909 0.0000 C 0 0 0.3490 -3.2909 0.0000 C 0 0 1.1470 -3.7520 0.0000 C 0 0 -0.4499 -3.7520 0.0000 C 0 0 -1.2489 -3.2909 0.0000 C 0 0 -5.3639 3.6800 0.0000 O 0 0 -6.1605 3.2196 0.0000 C 0 0 -5.3389 1.7500 0.0000 O 0 0 -6.1357 2.2100 0.0000 C 0 0 -1.2489 -2.3690 0.0000 N 0 0 -1.2839 -0.4629 0.0000 C 0 0 0.2740 0.4249 0.0000 C 0 0 1.0708 0.8848 0.0000 C 0 0 2.6900 -1.9390 0.0000 O 0 0 3.4869 -2.3986 0.0000 C 0 0 2.6740 -3.7120 0.0000 O 0 0 3.4710 -3.2525 0.0000 C 0 0 12 1 1 6 2 5 1 0 2 12 1 0 2 15 1 0 17 3 1 1 4 5 1 0 4 6 1 0 6 9 2 0 6 7 1 0 7 8 2 0 8 10 1 0 8 26 1 0 9 11 1 0 9 12 1 0 10 11 2 0 10 28 1 0 12 13 1 0 13 14 1 0 14 16 2 0 14 31 1 0 15 16 1 0 16 32 1 0 17 18 1 0 17 30 1 0 17 31 1 0 18 22 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 34 1 0 21 23 2 0 21 36 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 30 1 0 26 27 1 0 28 29 1 0 32 33 1 0 34 35 1 0 36 37 1 0 M END > 129414 > 14358-43-1 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 0.0031 3.0008 0.0000 C 0 0 1.3039 3.7494 0.0000 C 0 0 1.3070 5.2502 0.0000 N 0 0 2.6060 6.0003 0.0000 C 0 0 2.6060 7.5003 0.0000 C 0 0 0.0079 7.5003 0.0000 C 0 0 0.0079 6.0003 0.0000 C 0 0 3.6453 8.1003 0.0000 O 0 0 -1.0313 8.1004 0.0000 O 0 0 2.3421 3.1476 0.0000 C 0 0 1.3070 8.2503 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 1 5 1 0 1 6 2 0 1 19 1 0 2 3 1 0 2 7 2 0 2 19 1 0 3 4 1 0 4 5 1 0 4 8 1 0 8 9 1 0 9 10 1 0 9 17 1 0 10 11 1 0 10 14 1 0 11 12 1 0 12 15 2 0 12 18 1 0 13 14 1 0 13 16 2 0 13 18 1 0 M END > 129943 > 21416-87-5 $$$$ SciTegic05042114222D 16 17 0 0 0 0 999 V2000 1.0392 -3.6000 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -4.9500 0.0000 N 0 0 -3.8994 -3.7478 0.0000 O 0 0 -4.9377 -3.1463 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 1 4 2 0 2 12 2 0 3 10 2 0 3 5 1 0 4 5 1 0 4 6 1 0 5 7 2 0 6 8 2 0 6 13 1 0 7 9 1 0 7 12 1 0 8 12 1 0 8 14 1 0 9 11 2 0 10 11 1 0 10 16 1 0 14 15 1 0 M END > 132493 > 61895-38-3 $$$$ SciTegic05042114222D 39 43 0 0 1 0 999 V2000 -6.3304 0.1902 0.0000 O 0 0 -2.8163 -3.1000 0.0000 H 0 0 -2.4553 0.8735 0.0000 H 0 0 -0.3600 -3.1000 0.0000 H 0 0 -1.0500 3.5300 0.0000 O 0 0 1.7371 0.8703 0.0000 H 0 0 0.8600 -2.8900 0.0000 O 0 0 3.3623 0.3894 0.0000 O 0 0 3.1342 -2.6733 0.0000 O 0 0 5.9615 0.4515 0.0000 C 0 0 2 0 0 0 -0.3600 2.7800 0.0000 C 0 0 2 0 0 0 0.8600 1.9800 0.0000 C 0 0 1 0 0 0 -1.5800 1.9800 0.0000 C 0 0 1 0 0 0 0.8600 0.3900 0.0000 C 0 0 2 0 0 0 -1.5800 0.3900 0.0000 C 0 0 1 0 0 0 2.0800 -0.3900 0.0000 C 0 0 2 0 0 0 -0.3600 -0.3900 0.0000 C 0 0 2 0 0 0 0.2500 1.6000 0.0000 C 0 0 -2.8200 -0.3900 0.0000 C 0 0 1 0 0 0 -4.0400 0.3900 0.0000 C 0 0 1 0 0 0 -5.2800 -0.3900 0.0000 C 0 0 2.0800 -2.1000 0.0000 C 0 0 -0.3600 -2.1000 0.0000 C 0 0 1 0 0 0 -2.8200 -2.1000 0.0000 C 0 0 1 0 0 0 -5.2800 -2.1000 0.0000 C 0 0 -1.5800 -2.8900 0.0000 C 0 0 -4.0400 -2.8900 0.0000 C 0 0 -4.0356 1.5900 0.0000 O 0 0 -4.0356 -4.0900 0.0000 C 0 0 -0.8443 2.9280 0.0000 O 0 0 -2.8156 0.8100 0.0000 C 0 0 -0.3600 3.9800 0.0000 O 0 0 1.9158 2.5502 0.0000 C 0 0 4.6798 -0.3293 0.0000 C 0 0 4.7085 -1.5290 0.0000 O 0 0 5.9329 1.6512 0.0000 O 0 0 6.9860 1.0763 0.0000 C 0 0 7.2791 -0.2672 0.0000 C 0 0 8.3039 0.3571 0.0000 C 0 0 1 21 2 0 24 2 1 6 15 3 1 6 23 4 1 1 13 5 1 0 5 18 1 0 14 6 1 1 7 22 1 0 7 23 1 0 16 8 1 1 8 34 1 0 9 22 2 0 10 34 1 0 10 36 1 1 10 37 1 0 10 38 1 0 11 12 1 0 11 13 1 0 11 32 1 6 12 14 1 0 12 33 1 6 13 15 1 0 13 30 1 6 14 16 1 0 14 17 1 0 15 17 1 0 15 19 1 0 16 22 1 0 17 18 1 1 17 23 1 0 19 20 1 0 19 24 1 0 19 31 1 1 20 21 1 0 20 28 1 1 21 25 1 0 23 26 1 0 24 27 1 0 24 26 1 0 25 27 2 0 27 29 1 0 34 35 2 0 38 39 1 0 M END > 132791 > 1259-86-5 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0008 0.0000 N 0 0 1.3002 -3.7488 0.0000 C 0 0 1.3026 -5.2488 0.0000 N 0 0 0.0048 -6.0009 0.0000 C 0 0 -1.2955 -5.2529 0.0000 N 0 0 -1.2978 -3.7529 0.0000 C 0 0 -2.3217 -4.3788 0.0000 C 0 0 -1.2715 -2.5532 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 0.0031 3.0008 0.0000 O 0 0 1.3039 3.7494 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 2.6078 5.9988 0.0000 C 0 0 2.6109 7.4996 0.0000 O 0 0 3.9117 8.2482 0.0000 C 0 0 3.9170 9.7482 0.0000 C 0 0 5.2186 10.4937 0.0000 C 0 0 6.5150 9.7392 0.0000 C 0 0 6.5098 8.2392 0.0000 C 0 0 5.2082 7.4937 0.0000 C 0 0 2.3385 -3.1472 0.0000 N 0 0 0.0067 -7.2009 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 16 1 0 4 5 1 0 4 15 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 12 1 0 8 9 2 0 8 27 1 0 9 10 1 0 10 11 2 0 10 28 1 0 11 12 1 0 12 14 1 0 12 13 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > 133071 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 4.0378 0.7353 0.0000 N 0 0 2.6003 -1.4977 0.0000 N 0 0 5.2500 -1.3674 0.0000 S 0 0 6.2544 -0.2533 0.0000 C 0 0 5.5052 1.0462 0.0000 C 0 0 3.8990 -0.7455 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 3.1418 1.5335 0.0000 C 0 0 7.7447 -0.4077 0.0000 O 0 0 8.4493 0.5637 0.0000 C 0 0 1 5 1 0 1 6 1 0 1 17 1 0 2 6 2 0 2 7 1 0 3 4 1 0 3 6 1 0 4 5 1 0 4 18 1 0 7 8 2 0 7 9 1 0 8 12 1 0 9 13 2 0 9 10 1 0 10 11 2 0 11 14 1 0 12 15 2 0 13 16 1 0 13 15 1 0 14 16 2 0 18 19 1 0 M END > 135996 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 136037 $$$$ SciTegic05042114222D 50 55 0 0 1 0 999 V2000 -1.5645 2.2625 0.0000 O 0 0 -1.5645 -1.4275 0.0000 O 0 0 1.1494 -3.1185 0.0000 O 0 0 1.6074 3.0334 0.0000 O 0 0 1.6074 -2.3775 0.0000 O 0 0 2.0634 5.1964 0.0000 O 0 0 2.9774 5.1964 0.0000 C 0 0 3.4764 4.3324 0.0000 C 0 0 3.0404 3.5764 0.0000 C 0 0 2.0864 3.5764 0.0000 C 0 0 1.6074 4.4064 0.0000 C 0 0 1.6074 1.3304 0.0000 C 0 0 1 0 0 0 2.4004 0.8725 0.0000 C 0 0 1 0 0 0 0.8144 0.8725 0.0000 C 0 0 0.0214 1.3304 0.0000 C 0 0 -0.7715 0.8725 0.0000 C 0 0 -1.5645 1.3304 0.0000 C 0 0 -2.3575 0.8725 0.0000 C 0 0 -3.1505 1.3304 0.0000 C 0 0 -3.9445 0.8725 0.0000 C 0 0 2.4004 -0.0425 0.0000 C 0 0 0.8144 -0.0425 0.0000 C 0 0 -0.7715 -0.0425 0.0000 C 0 0 -2.3575 -0.0425 0.0000 C 0 0 -3.9445 -0.0425 0.0000 C 0 0 1.6074 -0.5005 0.0000 C 0 0 1 0 0 0 0.0214 -0.5005 0.0000 C 0 0 -1.5645 -0.5005 0.0000 C 0 0 -3.1505 -0.5005 0.0000 C 0 0 1.6074 -3.9115 0.0000 C 0 0 1.1494 -4.7045 0.0000 C 0 0 0.2334 -4.7045 0.0000 C 0 0 0.2334 -3.1185 0.0000 C 0 0 -0.2245 -3.9115 0.0000 C 0 0 -3.1505 -1.4275 0.0000 O 0 0 -0.2245 -4.8594 0.0000 O 0 0 0.0214 2.2694 0.0000 O 0 0 0.0214 -1.4275 0.0000 O 0 0 0.2334 -4.0604 0.0000 C 0 0 0.2334 -5.6504 0.0000 N 0 0 -0.5546 -6.1054 0.0000 C 0 0 1.0215 -6.1054 0.0000 C 0 0 3.0404 4.4714 0.0000 N 0 0 2.2523 4.9264 0.0000 C 0 0 3.8285 4.9264 0.0000 C 0 0 2.9774 6.0664 0.0000 C 0 0 3.1134 0.4614 0.0000 O 0 0 3.1554 1.3084 0.0000 C 0 0 3.9435 0.8535 0.0000 C 0 0 3.4764 5.2024 0.0000 O 0 0 1 17 2 0 2 28 2 0 3 30 1 0 3 33 1 0 4 11 1 0 12 4 1 1 26 5 1 6 5 30 1 0 6 7 1 0 6 11 1 0 7 8 1 0 7 46 1 0 8 9 1 0 8 50 1 0 9 10 1 0 9 43 1 0 10 11 1 0 12 13 1 0 12 14 1 0 13 21 1 0 13 47 1 6 13 48 1 0 14 22 2 0 14 15 1 0 15 16 2 0 15 37 1 0 16 17 1 0 16 23 1 0 17 18 1 0 18 24 2 0 18 19 1 0 19 20 2 0 20 25 1 0 21 26 1 0 22 27 1 0 22 26 1 0 23 27 2 0 23 28 1 0 24 28 1 0 24 29 1 0 25 29 2 0 27 38 1 0 29 35 1 0 30 31 1 0 31 32 1 0 32 34 1 0 32 40 1 0 33 34 1 0 33 39 1 0 34 36 1 0 40 41 1 0 40 42 1 0 43 44 1 0 43 45 1 0 48 49 1 0 M END > 136044 > 23666-50-4 $$$$ SciTegic05042114222D 32 33 0 0 0 0 999 V2000 -3.9195 -5.8781 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 -6.4437 -1.8467 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 -2.7343 -2.9815 0.0000 O 0 0 -4.2568 0.5852 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -3.9511 -0.8815 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 -4.2010 -3.2957 0.0000 C 0 0 -3.6391 -8.4629 0.0000 C 0 0 -4.2445 -9.8362 0.0000 C 0 0 -3.5362 -10.8049 0.0000 C 0 0 -4.5249 -7.2514 0.0000 C 0 0 -5.7179 -7.3809 0.0000 O 0 0 -4.8054 -4.6666 0.0000 C 0 0 -7.3221 -3.0635 0.0000 C 0 0 -6.8304 -4.1581 0.0000 O 0 0 2.3383 1.3500 0.0000 N 0 0 -5.6819 1.0556 0.0000 C 0 0 -6.5772 0.2566 0.0000 O 0 0 -8.8153 -2.9121 0.0000 C 0 0 -9.6938 -4.1290 0.0000 C 0 0 -10.8877 -4.0079 0.0000 C 0 0 -5.9880 2.5249 0.0000 C 0 0 -7.4132 2.9953 0.0000 C 0 0 -7.6580 4.1701 0.0000 C 0 0 1 19 1 0 1 21 1 0 2 11 2 0 3 14 1 0 3 22 1 0 4 8 2 0 4 11 1 0 5 12 1 0 5 15 1 0 6 13 1 0 6 25 1 0 7 10 1 0 7 11 1 0 7 12 1 0 8 9 1 0 8 24 1 0 9 10 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 21 1 0 16 17 1 0 16 19 1 0 17 18 1 0 19 20 2 0 22 23 2 0 22 27 1 0 25 26 2 0 25 30 1 0 27 28 1 0 28 29 1 0 30 31 1 0 31 32 1 0 M END > 138429 > 34409-15-9 $$$$ SciTegic05042114222D 45 47 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.3786 -3.8595 0.0000 O 0 0 3.8056 -3.8679 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.8372 -5.2877 0.0000 C 0 0 5.2295 -3.4020 0.0000 O 0 0 3.3372 -5.2929 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 -0.0031 3.0008 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.6003 -1.4978 0.0000 N 0 0 0.9498 -6.4949 0.0000 C 0 0 4.2111 -6.5099 0.0000 O 0 0 1.2934 3.7495 0.0000 O 0 0 3.8915 3.7585 0.0000 C 0 0 -0.5420 -6.3307 0.0000 O 0 0 1.2883 5.2495 0.0000 C 0 0 5.1954 3.0153 0.0000 N 0 0 3.8863 5.2585 0.0000 C 0 0 -0.0156 5.9928 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 5.1819 6.0161 0.0000 O 0 0 -1.3117 5.2360 0.0000 N 0 0 2.5826 7.5048 0.0000 O 0 0 -0.8698 -3.4996 0.0000 H 0 0 5.9745 -4.0690 0.0000 H 0 0 -0.8698 3.4996 0.0000 H 0 0 0.8620 3.5023 0.0000 H 0 0 -3.4657 -0.9965 0.0000 H 0 0 -2.6021 -2.4978 0.0000 H 0 0 3.7999 -7.4214 0.0000 H 0 0 -1.1343 -7.1364 0.0000 H 0 0 6.0590 3.5196 0.0000 H 0 0 5.2007 2.0153 0.0000 H 0 0 5.1770 7.0161 0.0000 H 0 0 -2.1805 5.7312 0.0000 H 0 0 -1.3065 4.2360 0.0000 H 0 0 3.4476 8.0066 0.0000 H 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 6 12 1 0 7 13 1 0 7 14 1 0 8 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 12 19 1 0 14 20 1 0 15 21 1 0 15 22 1 0 19 23 1 0 21 24 1 0 22 25 1 0 22 26 1 0 24 27 1 0 24 28 1 0 26 29 1 0 27 30 1 0 28 31 1 0 11 17 1 0 12 14 1 0 26 28 1 0 10 32 1 0 13 33 1 0 16 34 1 0 16 35 1 0 18 36 1 0 18 37 1 0 20 38 1 0 23 39 1 0 25 40 1 0 25 41 1 0 29 42 1 0 30 43 1 0 30 44 1 0 31 45 1 0 M END > 138925 > 25546-65-0 $$$$ SciTegic05042114222D 30 32 0 0 0 0 999 V2000 -2.3428 5.8471 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 N 0 0 -0.0041 7.5017 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 2.5941 10.5053 0.0000 C 0 0 2.5918 12.0053 0.0000 C 0 0 1.2963 9.7531 0.0000 C 0 0 1.2915 12.7532 0.0000 C 0 0 -0.0040 10.5012 0.0000 C 0 0 -0.0063 12.0012 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 0.0000 -2.7000 0.0000 N 0 0 1.2955 8.2523 0.0000 C 0 0 -1.2707 1.9497 0.0000 C 0 0 -2.3239 0.1257 0.0000 C 0 0 3.8888 12.7604 0.0000 C 0 0 4.9300 12.1638 0.0000 O 0 0 3.8843 14.2612 0.0000 N 0 0 4.9213 14.8650 0.0000 C 0 0 2.8431 14.8578 0.0000 C 0 0 1 13 1 0 2 19 2 0 2 20 1 0 3 12 1 0 3 23 1 0 4 17 1 0 4 18 1 0 4 19 1 0 5 20 2 0 5 18 1 0 6 8 2 0 6 7 1 0 7 9 2 0 7 26 1 0 8 10 1 0 8 23 1 0 9 11 1 0 10 11 2 0 12 13 2 0 12 14 1 0 13 16 1 0 14 15 2 0 15 17 1 0 16 17 2 0 18 24 1 0 18 25 1 0 19 21 1 0 20 22 1 0 26 27 2 0 26 28 1 0 28 29 1 0 28 30 1 0 M END > 139105 > 41191-04-2 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.9099 -8.2497 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9099 -9.7497 0.0000 C 0 0 -1.3118 -8.2497 0.0000 C 0 0 -2.6109 -10.4997 0.0000 C 0 0 -1.3119 -9.7497 0.0000 C 0 0 -2.6079 -12.0005 0.0000 N 0 3 -3.6461 -12.6023 0.0000 O 0 5 -1.5678 -12.5991 0.0000 O 0 0 -2.6078 -5.9988 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -2.3421 -3.1476 0.0000 O 0 0 -0.0031 -3.0008 0.0000 N 0 0 -2.3383 1.3500 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 5 2 0 2 20 1 0 3 4 1 0 4 6 2 0 5 6 1 0 6 21 1 0 7 9 2 0 7 8 1 0 8 10 2 0 8 16 1 0 9 11 1 0 10 12 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 2 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 M CHG 2 13 1 14 -1 M END > 139109 > 31191-21-6 $$$$ SciTegic05042114222D 34 36 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 3.0000 0.0000 N 0 0 3.6373 0.9000 0.0000 O 0 0 2.5981 3.0000 0.0000 N 0 0 -1.3039 -3.7494 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.3070 -5.2502 0.0000 N 0 0 1.2990 4.9500 0.0000 N 0 0 -2.6078 -5.9988 0.0000 C 0 0 -2.6131 -7.4988 0.0000 C 0 0 -3.9043 -5.2443 0.0000 C 0 0 -3.9147 -8.2443 0.0000 C 0 0 -5.2060 -5.9898 0.0000 C 0 0 -5.2111 -7.4898 0.0000 C 0 0 -6.5150 -8.2331 0.0000 C 0 0 -7.8111 -7.4763 0.0000 N 0 0 -6.5213 -9.4330 0.0000 O 0 0 -9.1150 -8.2195 0.0000 C 0 0 -10.4110 -7.4628 0.0000 C 0 0 -9.1258 -9.7203 0.0000 C 0 0 -11.7149 -8.2060 0.0000 C 0 0 -10.1690 -10.3134 0.0000 O 0 0 -8.0908 -10.3275 0.0000 O 0 0 -13.0110 -7.4493 0.0000 C 0 0 -14.0535 -8.0435 0.0000 O 0 0 -13.0047 -6.2493 0.0000 O 0 0 2 1 1 0 3 2 1 0 4 2 1 0 5 3 2 0 6 3 1 0 7 4 1 0 8 4 1 0 9 5 1 0 9 8 1 0 10 5 1 0 11 6 1 0 12 6 2 0 13 7 1 0 14 10 2 0 14 12 1 0 15 13 1 0 16 14 1 0 17 15 1 0 18 17 2 0 19 17 1 0 20 18 1 0 21 19 2 0 22 20 2 0 22 21 1 0 23 22 1 0 24 23 1 0 25 23 2 0 26 24 1 0 27 26 1 0 28 26 1 0 29 27 1 0 30 28 2 0 31 28 1 0 32 29 1 0 33 32 2 0 34 32 1 0 M END > 139490 > 52386-42-2 $$$$ SciTegic05042114222D 27 28 0 0 0 0 999 V2000 3.9138 5.2457 0.0000 C 0 0 7.8003 1.4887 0.0000 C 0 0 3.8990 0.7455 0.0000 O 0 0 5.2003 1.4932 0.0000 C 0 0 5.2024 2.6932 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 2.7000 0.0000 O 0 0 -2.5981 -2.7000 0.0000 O 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 4.9550 5.8424 0.0000 C 0 0 8.8387 0.8873 0.0000 C 0 0 2.8767 5.8493 0.0000 C 0 0 3.9081 3.7449 0.0000 C 0 0 7.8024 2.6887 0.0000 C 0 0 2.6060 2.9986 0.0000 C 0 0 6.4990 0.7410 0.0000 C 0 0 2.6003 1.4978 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 1 18 1 0 1 20 1 0 1 21 2 0 2 19 1 0 2 22 1 0 2 24 2 0 3 4 1 0 3 25 1 0 4 5 2 0 4 24 1 0 6 7 1 0 6 9 2 0 7 8 2 0 7 25 1 0 8 11 1 0 8 26 1 0 9 10 1 0 9 27 1 0 10 11 2 0 10 13 1 0 11 12 1 0 12 14 2 0 12 16 1 0 13 17 1 0 13 15 2 0 16 17 2 0 21 23 1 0 23 25 1 0 M END > 140377 > 23444-70-4 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2983 -5.2521 0.0000 C 0 0 2.5969 -6.0029 0.0000 C 0 0 1.2993 -3.7521 0.0000 C 0 0 2.5988 -3.0029 0.0000 C 0 0 3.8964 -5.2537 0.0000 C 0 0 3.8974 -3.7537 0.0000 C 0 0 5.1991 -3.0068 0.0000 N 0 0 6.4973 -3.7599 0.0000 C 0 0 7.5353 -4.3620 0.0000 S 0 0 0.0000 -3.0008 0.0000 S 0 0 -1.0394 -3.6005 0.0000 O 0 0 -1.0391 -2.4007 0.0000 O 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -4.9374 0.1440 0.0000 S 0 0 1 3 2 0 1 2 1 0 2 5 2 0 2 16 1 0 3 4 1 0 4 6 2 0 5 6 1 0 6 19 1 0 7 8 2 0 7 9 1 0 8 11 1 0 9 10 2 0 9 16 1 0 10 12 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 2 0 16 17 2 0 16 18 2 0 19 20 2 0 20 21 2 0 M END > 140911 > 40939-76-2 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 S 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2982 3.7531 0.0000 N 0 0 3.8994 0.7523 0.0000 C 0 0 -1.2961 5.2539 0.0000 C 0 0 4.9377 1.3538 0.0000 O 0 0 -2.5943 6.0070 0.0000 C 0 0 -2.5922 7.5078 0.0000 N 0 0 -3.8904 8.2609 0.0000 C 0 0 -3.8887 9.4609 0.0000 C 0 0 -1.2927 8.2586 0.0000 C 0 0 -1.2923 9.4586 0.0000 C 0 0 1 6 2 0 2 11 1 0 2 12 1 0 3 5 2 0 3 4 1 0 3 16 1 0 4 11 2 0 4 6 1 0 5 10 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 13 1 0 10 14 2 0 11 14 1 0 12 15 1 0 13 15 2 0 14 17 1 0 16 18 1 0 17 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 21 24 1 0 22 23 1 0 24 25 1 0 M END > 142982 > 23255-93-8 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -4.3570 0.0307 0.0000 O 0 0 -2.4133 1.7530 0.0000 N 0 0 -0.3115 2.9665 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -5.0460 2.3579 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -5.8565 0.0701 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 -6.3055 -2.2283 0.0000 O 0 0 -7.4135 1.9091 0.0000 O 0 0 -6.7662 -1.1203 0.0000 C 0 0 0.6890 4.0818 0.0000 C 0 0 0.3167 5.2226 0.0000 O 0 0 -5.0071 3.5572 0.0000 O 0 0 1.8631 3.8341 0.0000 N 0 0 1 8 2 0 1 10 1 0 2 10 2 0 2 9 1 0 3 11 1 0 3 14 1 0 4 7 1 0 4 9 1 0 4 11 1 0 5 7 2 0 5 6 1 0 5 19 1 0 6 9 2 0 6 8 1 0 8 15 1 0 11 12 1 0 12 13 1 0 12 21 1 0 13 14 1 0 13 17 1 0 14 18 1 0 16 18 1 0 19 20 2 0 19 22 1 0 M END > 143648 > 21090-35-7 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 0.6344 -3.5994 0.0000 O 0 0 2.4300 -2.3100 0.0000 O 0 0 -2.0400 1.3600 0.0000 C 0 0 -1.2300 0.0000 0.0000 C 0 0 -1.0000 2.4800 0.0000 C 0 0 0.3300 2.0000 0.0000 C 0 0 0.3300 0.2700 0.0000 C 0 0 0.0000 -1.3900 0.0000 C 0 0 1.0400 -2.4700 0.0000 C 0 0 1.7700 2.5900 0.0000 C 0 0 2.1400 0.2600 0.0000 C 0 0 2.6400 1.5800 0.0000 C 0 0 3.0100 -1.0300 0.0000 C 0 0 -1.1515 -1.7276 0.0000 C 0 0 -3.2333 1.4865 0.0000 C 0 0 4.1143 1.8659 0.0000 C 0 0 4.5059 3.0002 0.0000 O 0 0 4.9012 0.9599 0.0000 O 0 0 -1.2829 3.6462 0.0000 C 0 0 1 9 2 0 2 9 1 0 2 13 1 0 3 4 2 0 3 5 1 0 3 15 1 0 4 7 1 0 5 6 1 0 5 19 1 0 6 10 1 0 6 7 1 0 7 8 1 0 7 11 1 0 8 9 1 0 8 14 2 0 10 12 2 0 11 13 1 0 11 12 1 0 12 16 1 0 16 17 2 0 16 18 1 0 M END > 145150 > 70857-52-2 $$$$ SciTegic05042114222D 43 44 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 2.5984 -2.7004 0.0000 C 0 0 1.5595 -2.1002 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8990 -0.7508 0.0000 C 0 0 5.1976 -1.5016 0.0000 C 0 0 6.4971 -0.7525 0.0000 C 0 0 6.4980 0.7475 0.0000 C 0 0 5.1995 1.4984 0.0000 C 0 0 3.9000 0.7492 0.0000 C 0 0 -2.6003 1.4977 0.0000 O 0 0 7.7967 1.4998 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 7.7955 3.0006 0.0000 C 0 0 9.0942 3.7529 0.0000 C 0 0 9.0930 5.2537 0.0000 C 0 0 10.1341 3.1541 0.0000 O 0 0 10.3905 7.5068 0.0000 C 0 0 10.3917 6.0060 0.0000 N 0 0 11.6892 8.2591 0.0000 C 0 0 9.3519 6.9058 0.0000 C 0 0 9.3506 8.1057 0.0000 C 0 0 11.6880 9.7599 0.0000 C 0 0 11.6865 10.9599 0.0000 C 0 0 10.6481 10.3588 0.0000 C 0 0 12.7264 10.3614 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -5.2024 2.6932 0.0000 O 0 0 -9.0990 0.7364 0.0000 C 0 0 -7.8003 1.4887 0.0000 N 0 0 -10.4003 1.4841 0.0000 C 0 0 -8.0588 0.1380 0.0000 C 0 0 -9.0969 -0.4636 0.0000 C 0 0 -11.6990 0.7318 0.0000 C 0 0 -12.7394 1.3297 0.0000 C 0 0 -11.6969 -0.4682 0.0000 C 0 0 -12.7370 0.1299 0.0000 C 0 0 1 4 1 0 1 10 1 0 1 2 1 0 1 3 1 0 4 5 2 0 4 9 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 16 1 0 8 9 2 0 10 11 1 0 10 15 2 0 11 12 2 0 12 13 1 0 13 14 2 0 13 17 1 0 14 15 1 0 16 18 1 0 17 19 1 0 18 32 1 0 19 20 1 0 20 21 1 0 20 22 1 0 21 24 1 0 23 24 1 0 23 25 1 0 23 26 1 0 23 27 1 0 25 28 1 0 28 31 1 0 28 29 1 0 28 30 1 0 32 33 1 0 32 34 1 0 33 36 1 0 35 36 1 0 35 37 1 0 35 38 1 0 35 39 1 0 37 40 1 0 40 41 1 0 40 43 1 0 40 42 1 0 M END > 145366 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 2.1651 -1.2500 0.0000 H 0 0 1.2990 -0.7500 0.0000 N 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 2.5000 0.0000 H 0 0 6.4971 0.7567 0.0000 C 0 0 6.4995 -0.7434 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 5.2017 -1.4954 0.0000 C 0 0 3.8990 0.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 3.9014 -0.7475 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 2 1 0 2 16 1 0 2 18 1 0 3 22 2 0 4 16 1 0 4 22 1 0 4 5 1 0 6 7 2 0 6 8 1 0 7 11 1 0 8 12 2 0 8 9 1 0 9 10 2 0 10 13 1 0 11 14 2 0 12 15 1 0 12 14 1 0 13 15 2 0 15 16 1 0 17 19 2 0 17 18 1 0 18 20 2 0 19 21 1 0 20 22 1 0 20 23 1 0 21 23 2 0 M END > 145669 > 31785-60-1 $$$$ SciTegic05042114222D 17 18 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 S 0 0 2.7343 -2.9815 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.0971 -5.6353 0.0000 O 0 0 6.1467 -1.8742 0.0000 O 0 0 4.8054 -4.6666 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 4.1955 0.2934 0.0000 O 0 0 1 8 2 0 2 9 1 0 2 12 1 0 3 6 2 0 4 5 1 0 4 8 1 0 4 9 1 0 5 7 2 0 6 7 1 0 6 16 1 0 8 16 1 0 9 10 1 0 10 11 1 0 10 17 1 0 11 12 1 0 11 14 1 0 12 15 1 0 13 15 1 0 M END > 146268 > 27089-56-1 $$$$ SciTegic05042114222D 26 30 0 0 0 0 999 V2000 0.3115 -7.4665 0.0000 O 0 0 2.4133 -6.2530 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 3 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 1.2991 -3.7500 0.0000 C 0 0 1.2991 -5.2500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -6.0000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 1.8033 -7.6233 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -3.8994 3.7477 0.0000 O 0 0 -4.9378 3.1462 0.0000 C 0 0 -1.2960 5.2508 0.0000 O 0 0 -0.2559 5.8494 0.0000 C 0 0 1 18 1 0 1 21 1 0 2 15 1 0 2 21 1 0 3 7 2 0 3 12 1 0 3 22 1 0 4 5 2 0 4 6 1 0 5 8 1 0 5 25 1 0 6 9 2 0 6 7 1 0 8 10 2 0 8 23 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 17 2 0 13 14 1 0 14 15 2 0 15 18 1 0 16 19 2 0 17 20 1 0 17 19 1 0 18 20 2 0 23 24 1 0 25 26 1 0 M CHG 1 3 1 M END > 146397 > 13063-04-2 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 O 0 0 2.7343 -2.9815 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 2.7000 0.0000 F 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.0971 -5.6353 0.0000 O 0 0 6.1467 -1.8742 0.0000 O 0 0 4.8054 -4.6666 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 4.1955 0.2934 0.0000 O 0 0 1 9 2 0 2 10 1 0 2 13 1 0 3 6 2 0 4 8 1 0 4 9 1 0 4 10 1 0 5 7 1 0 6 7 1 0 6 17 1 0 7 8 2 0 9 17 1 0 10 11 1 0 11 12 1 0 11 18 1 0 12 13 1 0 12 15 1 0 13 16 1 0 14 16 1 0 M END > 146604 > 316-46-1 $$$$ SciTegic05042114222D 20 21 0 0 1 0 999 V2000 1.3786 3.8595 0.0000 N 0 0 0.4305 3.5416 0.0000 H 0 0 3.8056 3.8680 0.0000 C 0 0 2 0 0 0 2.5951 3.0039 0.0000 C 0 0 2 0 0 0 3.3371 5.2929 0.0000 C 0 0 1 0 0 0 1.8371 5.2877 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.6003 -1.4978 0.0000 O 0 0 -3.6387 -0.8963 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 5.2275 3.3961 0.0000 O 0 0 5.5312 1.9263 0.0000 C 0 0 6.6701 1.5483 0.0000 O 0 0 4.6347 1.1287 0.0000 C 0 0 4.0391 6.2662 0.0000 O 0 0 1 6 1 0 1 4 1 0 1 2 1 0 3 4 1 0 3 5 1 0 3 16 1 6 4 15 1 6 5 6 1 0 5 20 1 1 7 8 2 0 7 9 1 0 8 10 1 0 8 15 1 0 9 11 2 0 10 12 2 0 11 12 1 0 11 13 1 0 13 14 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > 147340 > 22862-75-5 $$$$ SciTegic05042114222D 15 16 0 0 1 0 999 V2000 3.9137 -2.1441 0.0000 O 0 0 2.5970 -2.5008 0.0000 H 0 0 1.2990 -0.7500 0.0000 N 0 0 2.3383 1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 F 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 2.5991 -1.5008 0.0000 C 0 0 1 0 0 0 2.7025 -0.0408 0.0000 C 0 0 4.1701 0.2694 0.0000 C 0 0 4.9186 -1.0304 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 1 8 1 0 1 11 1 0 8 2 1 6 3 7 1 0 8 3 1 0 3 14 1 0 4 7 2 0 5 13 1 0 6 12 2 0 7 15 1 0 8 9 1 0 9 10 1 0 10 11 1 0 12 13 1 0 12 15 1 0 13 14 2 0 M END > 148958 > 37076-68-9 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 3.8887 -9.4609 0.0000 N 0 0 3.8904 -8.2609 0.0000 C 0 0 2.5922 -7.5078 0.0000 C 0 0 2.5943 -6.0070 0.0000 C 0 0 -3.8994 -3.7478 0.0000 O 0 0 -4.9377 -3.1463 0.0000 C 0 0 1.2961 -5.2539 0.0000 C 0 0 0.2558 -5.8521 0.0000 C 0 0 1.2982 -3.7531 0.0000 N 0 0 1 8 2 0 1 4 1 0 2 3 2 0 2 4 1 0 2 19 1 0 3 6 1 0 4 5 2 0 5 7 1 0 5 10 1 0 6 10 2 0 6 15 1 0 7 9 2 0 8 9 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 17 1 0 15 16 1 0 17 18 1 0 17 19 1 0 M END > 149765 > 63-45-6 $$$$ SciTegic05042114222D 51 54 0 0 1 0 999 V2000 -6.9327 3.6812 0.0000 O 0 0 -5.9000 1.5100 0.0000 O 0 0 -5.4551 0.2584 0.0000 H 0 0 -4.5626 4.8000 0.0000 H 0 0 -4.5700 3.8000 0.0000 N 0 0 0.8469 -7.1245 0.0000 N 0 0 -2.9500 0.0000 0.0000 O 0 0 -0.2620 -6.1131 0.0000 C 0 0 2 0 0 0 0.0584 -4.6469 0.0000 C 0 0 1.2019 -4.2830 0.0000 O 0 0 -1.0012 -5.4396 0.0000 H 0 0 -1.0505 -3.6356 0.0000 O 0 0 1.4746 -3.9192 0.0000 O 0 0 3.3700 -2.4900 0.0000 N 0 0 5.7995 -2.8979 0.0000 Cl 0 0 3.3400 3.7500 0.0000 C 0 0 4.6300 3.0000 0.0000 C 0 0 1.9800 3.0100 0.0000 C 0 0 0.6900 3.7600 0.0000 C 0 0 -0.6200 3.0100 0.0000 C 0 0 -1.9400 3.7600 0.0000 C 0 0 2 0 0 0 -3.2500 3.0500 0.0000 C 0 0 1 0 0 0 4.9500 1.3900 0.0000 C 0 0 -3.2700 1.4700 0.0000 C 0 0 6.4400 0.9200 0.0000 C 0 0 6.7800 -0.6400 0.0000 C 0 0 3.7900 0.4000 0.0000 C 0 0 -4.5900 0.7600 0.0000 C 0 0 1 0 0 0 -4.5900 -0.8000 0.0000 C 0 0 2 0 0 0 5.5700 -1.7200 0.0000 C 0 0 4.0900 -1.1900 0.0000 C 0 0 -3.2900 -1.5700 0.0000 C 0 0 1 0 0 0 -1.8400 -1.1100 0.0000 C 0 0 2 0 0 0 -0.7300 -2.1700 0.0000 C 0 0 2 0 0 0 0.7000 -1.7000 0.0000 C 0 0 1.8200 -2.7700 0.0000 C 0 0 -5.9000 3.0700 0.0000 C 0 0 -5.6326 -1.3942 0.0000 C 0 0 0.5264 -8.5907 0.0000 C 0 0 1.4130 -9.3993 0.0000 O 0 0 -0.6171 -8.9546 0.0000 C 0 0 -1.4055 -6.4770 0.0000 C 0 0 1.9904 -6.7606 0.0000 C 0 0 -3.2380 4.2499 0.0000 O 0 0 -1.9298 5.2612 0.0000 O 0 0 -0.8869 5.8549 0.0000 C 0 0 -1.0013 -0.2518 0.0000 C 0 0 3.3570 4.9499 0.0000 C 0 0 4.0691 -3.4654 0.0000 C 0 0 8.2093 -1.0939 0.0000 O 0 0 9.0961 -0.2855 0.0000 C 0 0 1 37 2 0 2 28 1 0 2 37 1 0 28 3 1 6 4 5 1 0 5 22 1 0 5 37 1 0 6 8 1 0 6 39 1 0 6 43 1 0 33 7 1 0 32 7 1 1 8 11 1 6 8 9 1 0 8 42 1 0 9 12 1 0 9 10 2 0 34 12 1 6 13 36 2 0 14 31 1 0 14 36 1 0 14 49 1 0 15 30 1 0 16 18 2 0 16 17 1 0 16 48 1 0 17 23 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 45 1 6 22 24 1 0 22 44 1 6 23 27 2 0 23 25 1 0 24 28 1 0 25 26 2 0 26 30 1 0 26 50 1 0 27 31 1 0 28 29 1 0 29 32 1 0 29 38 1 6 30 31 2 0 32 33 1 0 33 34 1 0 33 47 1 6 34 35 1 0 35 36 1 0 39 40 2 0 39 41 1 0 45 46 1 0 50 51 1 0 M END > 153858 > 35846-53-8 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.3383 1.3500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 -8.6196 -1.1497 0.0000 C 0 0 -5.9746 -0.7845 0.0000 O 0 0 0.0000 3.0000 0.0000 N 0 0 -3.5970 0.2893 0.0000 N 0 0 -2.5981 3.0000 0.0000 N 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.8470 -1.0098 0.0000 C 0 0 -5.0926 0.4139 0.0000 C 0 0 -5.9246 1.6420 0.0000 C 0 0 -7.3604 1.2080 0.0000 C 0 0 -7.3913 -0.2917 0.0000 C 0 0 -8.5171 -2.3453 0.0000 O 0 0 -5.5233 2.7730 0.0000 O 0 0 0.0000 -2.7000 0.0000 N 0 0 -8.3165 1.9332 0.0000 O 0 0 1 3 1 0 1 14 2 0 2 3 1 0 3 10 1 0 4 19 1 0 4 20 1 0 5 16 1 0 5 19 1 0 6 9 2 0 6 10 1 0 7 12 1 0 7 15 1 0 7 16 1 0 8 12 2 0 8 9 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 15 2 0 13 14 1 0 14 22 1 0 16 17 1 0 17 18 1 0 17 21 1 0 18 19 1 0 18 23 1 0 M END > 154020 > 35943-35-2 $$$$ SciTegic05042114222D 16 17 0 0 0 0 999 V2000 0.0000 2.7000 0.0000 Br 0 0 -0.3114 -2.9665 0.0000 N 0 0 0.3578 -3.7096 0.0000 H 0 0 -2.4133 -1.7530 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.5550 -4.4193 0.0000 N 0 0 -4.0559 -4.4171 0.0000 C 0 0 -4.6540 -3.3768 0.0000 O 0 0 -4.8090 -5.7153 0.0000 O 0 0 -6.0090 -5.7136 0.0000 C 0 0 1 9 1 0 2 7 1 0 2 11 1 0 2 3 1 0 4 11 2 0 4 8 1 0 5 6 2 0 5 7 1 0 6 9 1 0 7 8 2 0 8 10 1 0 9 10 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 M END > 154754 > 78695-17-7 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 154890 > 38989-37-6 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 N 0 0 2.6602 -0.6072 0.0000 H 0 0 -1.3515 1.0777 0.0000 N 0 0 -2.1333 1.7012 0.0000 H 0 0 3.4707 4.0957 0.0000 Cl 0 0 2.5913 1.9239 0.0000 C 0 0 2.4792 3.4197 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 1.1278 4.0705 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -0.1116 3.2255 0.0000 C 0 0 0.4925 -4.1079 0.0000 C 0 0 1.4012 -2.9095 0.0000 C 0 0 1.0734 -5.4909 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 2.8879 -3.1018 0.0000 C 0 0 2.5615 -5.6793 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 3.4687 -4.4848 0.0000 C 0 0 -3.1503 -0.7191 0.0000 C 0 0 -4.3202 -0.9861 0.0000 N 0 0 1 8 1 0 1 15 1 0 1 2 1 0 3 10 1 0 3 19 1 0 3 4 1 0 5 7 1 0 6 7 2 0 6 8 1 0 7 9 1 0 8 10 2 0 9 11 2 0 10 11 1 0 12 14 2 0 12 13 1 0 13 17 2 0 13 15 1 0 14 18 1 0 15 16 1 0 16 19 1 0 17 20 1 0 18 20 2 0 19 21 1 0 21 22 3 0 M END > 155595 $$$$ SciTegic05042114222D 59 62 0 0 1 0 999 V2000 7.3809 -2.8276 0.0000 O 0 0 5.1749 -4.2000 0.0000 O 0 0 7.2874 2.0286 0.0000 O 0 0 2.3103 1.2523 0.0000 H 0 0 2.3946 2.2487 0.0000 N 0 0 1.4635 4.3519 0.0000 O 0 0 -0.2364 2.8014 0.0000 C 0 0 1.2166 3.1776 0.0000 C 0 0 -1.1470 3.9902 0.0000 C 0 0 -2.6474 3.9904 0.0000 C 0 0 -3.5654 2.7981 0.0000 C 0 0 -3.1887 1.3397 0.0000 C 0 0 2 0 0 0 -4.5900 0.7967 0.0000 C 0 0 2 0 0 0 -5.4274 -0.4568 0.0000 C 0 0 2 0 0 0 -5.4184 -1.9661 0.0000 C 0 0 2 0 0 0 -4.5618 -3.2062 0.0000 C 0 0 2 0 0 0 -3.1470 -3.7099 0.0000 C 0 0 1 0 0 0 -1.7268 -3.2405 0.0000 C 0 0 1 0 0 0 -0.9338 -1.9755 0.0000 C 0 0 2 0 0 0 0.4578 -2.5351 0.0000 C 0 0 2 0 0 0 1.8683 -2.0358 0.0000 C 0 0 2.9837 1.6744 0.0000 C 0 0 3.7131 2.9669 0.0000 C 0 0 5.1662 1.0334 0.0000 C 0 0 6.6659 1.0021 0.0000 C 0 0 7.3887 -0.3122 0.0000 C 0 0 5.0838 2.3497 0.0000 C 0 0 4.4368 -0.2512 0.0000 C 0 0 6.5885 -1.5540 0.0000 C 0 0 5.4110 0.8845 0.0000 C 0 0 5.0880 -1.6041 0.0000 C 0 0 4.3823 -2.9250 0.0000 C 0 0 2.8993 -3.1235 0.0000 C 0 0 6.6740 -4.1507 0.0000 C 0 0 8.5880 -0.3540 0.0000 C 0 0 6.8690 0.5220 0.0000 O 0 0 7.9115 1.6017 0.0000 C 0 0 9.0760 1.3122 0.0000 O 0 0 7.5803 2.7551 0.0000 C 0 0 1.8719 1.2230 0.0000 O 0 0 1.5072 -3.1172 0.0000 C 0 0 2.4996 -4.2550 0.0000 C 0 0 -0.6151 -3.0726 0.0000 O 0 0 -1.3048 -0.8343 0.0000 O 0 0 6.0140 3.1077 0.0000 C 0 0 -0.9862 -4.1847 0.0000 C 0 0 -6.5630 -2.3268 0.0000 O 0 0 -0.6275 1.6669 0.0000 C 0 0 -3.1646 -5.2158 0.0000 O 0 0 -4.4726 -5.9517 0.0000 C 0 0 -4.4867 -7.1516 0.0000 O 0 0 -5.5050 -5.3399 0.0000 C 0 0 -5.3406 1.7330 0.0000 O 0 0 -5.4790 -4.4013 0.0000 C 0 0 -5.0195 -5.5098 0.0000 O 0 0 -6.5768 -0.1120 0.0000 C 0 0 -6.9671 -4.2062 0.0000 O 0 0 -7.6976 -5.1582 0.0000 C 0 0 -2.1212 0.7917 0.0000 C 0 0 1 29 1 0 1 34 1 0 2 32 1 0 2 34 1 0 3 25 2 0 4 5 1 0 5 8 1 0 23 5 1 0 6 8 2 0 7 9 2 0 7 8 1 0 7 48 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 59 1 1 13 14 1 0 13 53 1 6 14 15 1 0 14 56 1 6 15 16 1 0 15 47 1 6 16 17 1 0 16 54 1 6 17 18 1 0 17 49 1 1 18 19 1 0 18 46 1 1 19 20 1 0 19 44 1 1 20 21 1 0 20 41 1 6 20 43 1 0 21 33 2 0 22 23 2 0 22 24 1 0 22 40 1 0 23 27 1 0 24 28 2 0 24 25 1 0 25 26 1 0 26 29 2 0 26 35 1 0 27 30 2 0 27 45 1 0 28 31 1 0 28 30 1 0 29 31 1 0 30 36 1 0 31 32 2 0 32 33 1 0 33 42 1 0 36 37 1 0 37 38 2 0 37 39 1 0 49 50 1 0 50 51 2 0 50 52 1 0 54 55 2 0 54 57 1 0 57 58 1 0 M END > 156215 > 11031-82-6 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 0.0000 -2.7000 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 4.0238 1.0365 0.0000 O 0 0 4.0238 3.4636 0.0000 N 0 0 5.1999 5.5222 0.0000 O 0 0 4.9055 2.2500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.5312 5.2807 0.0000 C 0 0 4.1151 5.0092 0.0000 C 0 0 2.9015 5.8908 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8990 0.7455 0.0000 O 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2387 0.8917 0.0000 O 0 0 -5.2024 2.6932 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 0.5768 6.0081 0.0000 C 0 0 1 18 2 0 2 9 1 0 2 18 1 0 2 23 1 0 3 6 1 0 3 7 1 0 4 6 1 0 4 8 1 0 4 13 1 0 5 13 2 0 7 9 2 0 7 8 1 0 8 10 2 0 9 11 1 0 10 12 1 0 10 15 1 0 11 15 2 0 11 16 1 0 12 14 2 0 12 25 1 0 13 14 1 0 16 17 2 0 16 24 1 0 17 18 1 0 19 20 1 0 19 24 1 0 20 21 2 0 20 22 1 0 M END > 157004 > 35982-88-8 $$$$ SciTegic05042114222D 28 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.8621 -3.5023 0.0000 H 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -2.1691 -3.2479 0.0000 H 0 0 -1.3070 -9.4503 0.0000 Cl 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6060 -7.5003 0.0000 C 0 0 -1.3070 -8.2503 0.0000 C 0 0 -2.6060 -6.0003 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.0080 -7.5003 0.0000 C 0 0 -0.0079 -6.0003 0.0000 C 0 0 -9.0990 0.7364 0.0000 N 0 0 -10.4003 1.4841 0.0000 C 0 0 -11.4386 0.8826 0.0000 C 0 0 -9.0933 -0.7644 0.0000 C 0 0 -8.0521 -1.3611 0.0000 C 0 0 -7.8003 1.4887 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8969 -0.4545 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 1 7 2 0 1 11 1 0 2 3 1 0 3 11 1 0 3 4 2 0 4 5 1 0 4 15 1 0 6 13 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 28 1 0 10 11 2 0 12 14 2 0 12 13 1 0 13 16 2 0 14 15 1 0 15 17 2 0 16 17 1 0 18 19 1 0 18 21 1 0 18 23 1 0 19 20 1 0 21 22 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 M END > 157389 > 56401-88-8 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 -2.6003 1.4977 0.0000 S 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -3.9023 3.7481 0.0000 C 0 0 -3.9029 5.2481 0.0000 C 0 0 -2.6030 2.9985 0.0000 C 0 0 -1.3042 3.7491 0.0000 C 0 0 -2.6041 5.9986 0.0000 C 0 0 -1.3048 5.2491 0.0000 C 0 0 -2.6046 7.1986 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -7.5291 -1.3672 0.0000 C 0 0 1 7 1 0 1 9 1 0 1 16 1 0 2 4 2 0 2 3 1 0 2 21 1 0 3 6 2 0 4 5 1 0 5 7 2 0 6 7 1 0 8 10 2 0 8 9 1 0 9 12 2 0 10 11 1 0 11 13 2 0 11 22 1 0 12 13 1 0 14 15 2 0 14 16 1 0 15 18 1 0 16 17 2 0 17 19 1 0 18 19 2 0 18 20 1 0 M CHG 1 1 1 M END > 157930 > 22417-22-7 $$$$ SciTegic05042114222D 20 20 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 0 2.1651 1.2500 0.0000 H 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -2.5000 0.0000 H 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.4642 1.0046 0.0000 H 0 0 -1.7282 3.5024 0.0000 H 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -4.9336 3.1588 0.0000 O 0 0 -3.8912 5.2578 0.0000 O 0 0 -2.3383 -1.3500 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 -5.1877 7.2109 0.0000 C 0 0 1 3 2 0 2 5 1 0 3 5 1 0 3 6 1 0 4 6 1 0 5 8 1 0 6 7 1 0 7 9 2 0 7 18 1 0 8 10 2 0 8 9 1 0 9 11 1 0 11 12 1 0 11 14 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 19 1 0 19 20 1 0 M END > 159935 > 28277-68-1 $$$$ SciTegic05042114222D 25 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 3 -1.6105 5.2165 0.0000 O 0 0 -3.7124 4.0029 0.0000 O 0 0 -3.1023 5.3733 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 3.8971 0.7500 0.0000 C 0 0 5.1962 1.5000 0.0000 C 0 0 6.4952 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3.8971 -0.7500 0.0000 C 0 0 6.4952 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 -1.5000 0.0000 C 0 0 5.1962 -1.5000 0.0000 C 0 0 7.7965 -1.4977 0.0000 O 0 0 8.8349 -0.8962 0.0000 C 0 0 5.1992 -3.0008 0.0000 O 0 0 6.2393 -3.5993 0.0000 C 0 0 1 11 2 0 1 19 1 0 1 20 1 0 2 4 1 0 2 5 1 0 3 4 1 0 3 6 1 0 5 6 2 0 5 7 1 0 6 8 1 0 7 9 2 0 8 10 2 0 9 10 1 0 9 11 1 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 17 1 0 14 15 2 0 15 18 1 0 16 19 1 0 17 20 2 0 17 21 1 0 18 21 2 0 18 22 1 0 21 24 1 0 22 23 1 0 24 25 1 0 M CHG 1 1 1 M END > 163088 > 633-65-8 $$$$ SciTegic05042114222D 30 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.3229 1.2135 0.0000 C 0 0 -6.2045 0.0000 0.0000 C 0 0 -5.3229 -1.2135 0.0000 N 0 0 -5.9320 2.5831 0.0000 C 0 0 -7.4237 2.7399 0.0000 C 0 0 -8.3054 1.5263 0.0000 C 0 0 -7.6953 0.1560 0.0000 C 0 0 -5.7885 -2.6376 0.0000 C 0 0 -7.2569 -2.9478 0.0000 C 0 0 -7.7234 -4.3743 0.0000 O 0 0 -9.1918 -4.6845 0.0000 C 0 0 -9.9934 -3.7915 0.0000 O 0 0 -9.6582 -6.1110 0.0000 C 0 0 -11.1254 -6.4232 0.0000 C 0 0 -11.5887 -7.8499 0.0000 C 0 0 -10.5848 -8.9645 0.0000 C 0 0 -9.1177 -8.6524 0.0000 C 0 0 -8.6544 -7.2257 0.0000 C 0 0 -2.5981 2.7000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 1 0 4 7 2 0 5 6 1 0 5 10 2 0 7 8 1 0 7 29 1 0 8 9 2 0 8 11 1 0 9 10 1 0 9 13 1 0 10 30 1 0 11 12 2 0 11 14 1 0 12 13 1 0 12 17 1 0 13 18 1 0 14 15 2 0 15 16 1 0 16 17 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 M END > 163443 $$$$ SciTegic05042114222D 13 13 0 0 1 0 999 V2000 2.3548 0.7651 0.0000 Cl 0 0 0.7500 -1.0323 0.0000 N 0 0 -0.7500 -1.0323 0.0000 O 0 0 -0.7582 2.5232 0.0000 H 0 0 -1.9467 -0.2858 0.0000 H 0 0 -1.5009 1.8536 0.0000 C 0 0 2 0 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 2 0 0 0 1.2135 0.3943 0.0000 C 0 0 -2.3922 1.0501 0.0000 N 0 0 -2.9284 2.3170 0.0000 C 0 0 -3.1790 3.4905 0.0000 O 0 0 -3.8197 1.5135 0.0000 O 0 0 1 9 1 0 2 9 2 0 2 3 1 0 3 8 1 0 6 4 1 1 8 5 1 1 8 6 1 0 6 10 1 0 6 11 1 0 7 8 1 0 7 9 1 0 11 12 2 0 11 13 1 0 M END > 163501 > 42228-92-2 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 -3.8990 0.7455 0.0000 Sn 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5970 4.5265 0.0000 C 0 0 -1.2968 5.2745 0.0000 C 0 0 -2.5994 3.0265 0.0000 C 0 0 0.0010 4.5225 0.0000 C 0 0 -1.3015 2.2745 0.0000 C 0 0 -0.0013 3.0225 0.0000 C 0 0 -7.8007 1.4864 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -9.0971 0.7319 0.0000 C 0 0 -6.4939 -0.7591 0.0000 C 0 0 -9.0919 -0.7681 0.0000 C 0 0 -7.7903 -1.5136 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8964 -0.7553 0.0000 O 0 0 -2.5958 -1.5043 0.0000 C 0 0 -2.5937 -2.7042 0.0000 O 0 0 -1.5574 -0.9028 0.0000 C 0 0 -3.8988 2.2754 0.0000 C 0 0 1 20 1 0 1 21 1 0 1 22 1 0 1 26 1 0 2 4 2 0 2 3 1 0 3 6 2 0 4 5 1 0 5 7 2 0 6 7 1 0 7 21 1 0 8 9 2 0 8 10 1 0 9 11 1 0 10 12 2 0 10 26 1 0 11 13 2 0 12 13 1 0 14 16 2 0 14 15 1 0 15 17 2 0 15 20 1 0 16 18 1 0 17 19 1 0 18 19 2 0 22 23 1 0 23 24 2 0 23 25 1 0 M END > 164909 > 10113-31-2 $$$$ SciTegic05042114222D 23 23 0 0 0 0 999 V2000 2.3383 1.3500 0.0000 Cl 0 0 0.0000 2.7000 0.0000 Cl 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0031 -3.0008 0.0000 O 0 0 1.3039 -3.7494 0.0000 Sn 0 5 1.3070 -5.2502 0.0000 C 0 0 2.6023 -2.9968 0.0000 C 0 0 -0.0183 -4.5191 0.0000 C 0 0 -0.0138 -6.0200 0.0000 C 0 0 -1.3108 -6.7751 0.0000 C 0 0 2.6006 -1.4959 0.0000 C 0 0 3.8991 -0.7432 0.0000 C 0 0 2.6078 -5.9988 0.0000 C 0 0 2.6109 -7.4996 0.0000 C 0 0 -1.3072 -7.9751 0.0000 C 0 0 3.8977 0.4568 0.0000 C 0 0 3.6510 -8.0981 0.0000 C 0 0 1 5 1 0 2 8 1 0 3 7 1 0 4 5 2 0 4 6 1 0 5 8 1 0 6 7 2 0 6 10 1 0 7 9 1 0 8 9 2 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 12 19 1 0 13 17 1 0 14 15 1 0 15 16 1 0 16 21 1 0 17 18 1 0 18 22 1 0 19 20 1 0 20 23 1 0 M CHG 1 11 -1 M END > 164914 > 73927-98-7 $$$$ SciTegic05042114222D 43 47 0 0 1 0 999 V2000 -4.2774 -0.1260 0.0000 O 0 0 -2.1854 -2.1469 0.0000 H 0 0 -1.4874 -0.9510 0.0000 H 0 0 -0.7874 -2.1469 0.0000 H 0 0 -0.8734 0.5810 0.0000 O 0 0 -0.0934 -0.9510 0.0000 H 0 0 -0.0904 -1.7610 0.0000 O 0 0 1.2735 -1.7410 0.0000 O 0 0 -0.7904 1.0849 0.0000 C 0 0 2 0 0 0 -0.0934 0.6820 0.0000 C 0 0 2 0 0 0 -1.4874 0.6820 0.0000 C 0 0 1 0 0 0 -0.0934 -0.1239 0.0000 C 0 0 1 0 0 0 -1.4874 -0.1239 0.0000 C 0 0 1 0 0 0 -0.7904 -0.5260 0.0000 C 0 0 2 0 0 0 -1.1344 0.0700 0.0000 C 0 0 -2.1854 -0.5270 0.0000 C 0 0 1 0 0 0 -2.8834 -0.1250 0.0000 C 0 0 -3.5804 -0.5270 0.0000 C 0 0 0.6074 -1.3580 0.0000 C 0 0 -0.7874 -1.3580 0.0000 C 0 0 1 0 0 0 -2.1854 -1.3330 0.0000 C 0 0 1 0 0 0 -3.5804 -1.3330 0.0000 C 0 0 -1.4874 -1.7360 0.0000 C 0 0 -2.8834 -1.7360 0.0000 C 0 0 -4.3804 -1.7950 0.0000 O 0 0 -2.8834 -2.5710 0.0000 C 0 0 -2.2754 1.1360 0.0000 O 0 0 -2.1854 0.2820 0.0000 C 0 0 -0.7904 1.8940 0.0000 O 0 0 0.6175 1.1360 0.0000 C 0 0 1.3363 0.7627 0.0000 O 0 0 0.5813 1.9451 0.0000 O 0 0 -0.1375 2.3184 0.0000 C 0 0 0.6074 -0.5520 0.0000 C 0 0 2 0 0 0 1.3085 -0.1479 0.0000 O 0 0 2.0095 -0.5520 0.0000 C 0 0 2.7115 -0.1479 0.0000 C 0 0 2.0095 -1.3630 0.0000 O 0 0 3.4124 -0.5520 0.0000 C 0 0 4.1145 -0.1479 0.0000 C 0 0 4.1154 0.6620 0.0000 C 0 0 4.8154 -0.5539 0.0000 C 0 0 3.4124 -1.3630 0.0000 C 0 0 1 18 2 0 21 2 1 6 13 3 1 6 20 4 1 1 10 5 1 0 5 15 1 0 12 6 1 1 7 19 1 0 7 20 1 0 8 19 2 0 9 10 1 0 9 11 1 0 9 29 1 6 10 12 1 0 10 30 1 1 11 13 1 0 11 27 1 1 12 14 1 0 12 34 1 0 13 16 1 0 13 14 1 0 14 15 1 1 14 20 1 0 16 17 1 0 16 21 1 0 16 28 1 1 17 18 1 0 18 22 1 0 19 34 1 0 20 23 1 0 21 24 1 0 21 23 1 0 22 24 2 0 22 25 1 0 24 26 1 0 30 31 2 0 30 32 1 0 32 33 1 0 34 35 1 1 35 36 1 0 36 37 1 0 36 38 2 0 37 39 2 0 39 40 1 0 39 43 1 0 40 41 1 0 40 42 1 0 M END > 165563 > 41451-75-6 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2959 5.2508 0.0000 O 0 0 0.2558 5.8494 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 2.5951 -3.0039 0.0000 S 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8916 -4.9570 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 0.0000 -4.2008 0.0000 N 0 0 1 4 1 0 1 8 1 0 1 13 1 0 2 3 2 0 2 4 1 0 3 6 1 0 4 5 2 0 5 7 1 0 5 10 1 0 6 10 2 0 6 11 1 0 7 9 2 0 8 9 1 0 8 18 1 0 11 12 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 18 19 3 0 M END > 165897 > 40448-85-9 $$$$ SciTegic05042114222D 27 30 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 S 0 0 -2.5818 10.5079 0.0000 N 0 0 -2.5922 7.5078 0.0000 N 0 0 -3.8834 9.7624 0.0000 C 0 0 -3.8886 8.2624 0.0000 C 0 0 -1.2854 9.7534 0.0000 C 0 0 -1.2906 8.2534 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -2.5943 6.0070 0.0000 C 0 0 -1.2961 5.2539 0.0000 C 0 0 -1.2982 3.7531 0.0000 N 0 0 -2.5777 11.7079 0.0000 C 0 0 3.8994 0.7523 0.0000 C 0 0 4.9377 1.3538 0.0000 O 0 0 1 12 2 0 2 17 1 0 2 18 1 0 3 5 1 0 3 7 1 0 3 25 1 0 4 6 1 0 4 8 1 0 4 22 1 0 5 6 1 0 7 8 1 0 9 10 2 0 9 11 1 0 9 24 1 0 10 16 1 0 11 17 2 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 19 1 0 16 20 2 0 17 20 1 0 18 21 1 0 19 21 2 0 20 26 1 0 22 23 1 0 23 24 1 0 26 27 1 0 M END > 166381 $$$$ SciTegic05042114222D 34 37 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 N 0 3 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 9.0776 14.2728 0.0000 C 0 0 10.3766 15.0228 0.0000 C 0 0 7.7784 15.0227 0.0000 N 0 3 10.3765 16.5228 0.0000 C 0 0 9.0775 17.2728 0.0000 C 0 0 7.7785 16.5227 0.0000 C 0 0 9.0774 18.7728 0.0000 C 0 0 6.4794 17.2727 0.0000 C 0 0 6.4794 18.7727 0.0000 C 0 0 7.7784 19.5227 0.0000 C 0 0 1.2982 3.7531 0.0000 C 0 0 -3.6373 0.9000 0.0000 N 0 0 1.2960 5.2539 0.0000 C 0 0 2.5942 6.0070 0.0000 C 0 0 2.5921 7.5079 0.0000 C 0 0 3.8903 8.2609 0.0000 C 0 0 3.8881 9.7618 0.0000 C 0 0 5.1863 10.5149 0.0000 C 0 0 5.1842 12.0157 0.0000 C 0 0 6.4824 12.7688 0.0000 C 0 0 -1.2991 4.9500 0.0000 C 0 0 9.0777 13.0728 0.0000 C 0 0 6.4802 14.2696 0.0000 C 0 0 11.4158 17.1229 0.0000 N 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 4 6 1 0 5 7 1 0 5 6 2 0 6 8 1 0 7 9 2 0 7 21 1 0 8 10 2 0 8 22 1 0 9 10 1 0 9 31 1 0 11 13 2 0 11 12 1 0 11 32 1 0 12 14 2 0 13 16 1 0 13 33 1 0 14 15 1 0 14 34 1 0 15 16 2 0 15 17 1 0 16 18 1 0 17 20 2 0 18 19 2 0 19 20 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 33 1 0 M CHG 2 7 1 13 1 M END > 166454 > 522-51-0 $$$$ SciTegic05042114222D 13 13 0 0 0 0 999 V2000 -2.3471 -5.8487 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 S 0 0 -1.0432 3.5993 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -1.3039 -3.7494 0.0000 C 0 0 -2.3421 -3.1476 0.0000 O 0 0 -1.3070 -5.2502 0.0000 C 0 0 1 13 1 0 2 4 2 0 2 3 1 0 3 5 2 0 3 10 1 0 4 6 1 0 5 7 1 0 6 7 2 0 6 8 1 0 8 9 1 0 10 11 1 0 11 12 2 0 11 13 1 0 M END > 166464 > 27978-30-9 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 167410 $$$$ SciTegic05042114222D 34 34 0 0 0 0 999 V2000 -5.2181 -11.6976 0.0000 C 0 0 1.0285 -8.0993 0.0000 C 0 0 -0.0109 -6.2996 0.0000 C 0 0 -1.5547 -0.8969 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -5.2156 -10.4976 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 1.2938 3.7562 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 1.2890 5.2570 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3109 -8.2496 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -0.0109 -7.4996 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -2.5961 -1.4932 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -3.9117 -8.2482 0.0000 C 0 0 -2.6008 -2.9941 0.0000 N 0 0 -2.6078 -5.9988 0.0000 N 0 0 -0.0031 3.0008 0.0000 N 0 0 -3.6330 -0.8893 0.0000 O 0 0 -0.2688 -5.8520 0.0000 O 0 0 -4.9499 -7.6464 0.0000 O 0 0 -3.9148 -9.7490 0.0000 O 0 0 -2.3471 5.8487 0.0000 Cl 0 0 2.3260 5.8610 0.0000 Cl 0 0 -3.4686 -3.4910 0.0000 H 0 0 -3.4730 -5.4973 0.0000 H 0 0 1 9 1 0 2 18 1 0 3 18 1 0 4 21 1 0 5 7 2 0 5 16 1 0 6 8 1 0 6 16 2 0 7 17 1 0 8 17 2 0 9 30 1 0 10 12 1 0 10 26 1 0 11 13 1 0 11 26 1 0 12 31 1 0 13 32 1 0 14 16 1 0 14 19 1 0 15 18 1 0 15 20 1 0 17 26 1 0 19 22 1 0 19 24 1 0 20 23 1 0 20 25 1 0 21 24 1 0 21 27 2 0 22 25 1 0 22 28 2 0 23 29 2 0 23 30 1 0 24 33 1 0 25 34 1 0 M END > 167780 > 3577-89-7 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 S 0 0 1.2990 3.7500 0.0000 N 0 0 2.5981 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 O 0 0 3.8912 -5.2578 0.0000 C 0 0 4.9292 -5.8600 0.0000 O 0 0 2.8509 -5.8560 0.0000 C 0 0 1 5 1 0 1 10 1 0 1 15 1 0 2 7 1 0 2 12 1 0 3 8 2 0 3 6 1 0 4 6 2 0 4 5 1 0 5 7 2 0 7 8 1 0 9 11 2 0 9 10 1 0 10 12 2 0 11 13 1 0 12 14 1 0 13 14 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > 168221 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 -0.3114 -2.9665 0.0000 O 0 0 -2.4133 -1.7530 0.0000 N 0 0 -4.0559 -4.4171 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 -2.5550 -4.4193 0.0000 C 0 0 -4.8090 -5.7153 0.0000 C 0 0 -6.0090 -5.7136 0.0000 F 0 0 -5.4106 -6.7536 0.0000 F 0 0 -4.2108 -6.7556 0.0000 F 0 0 -4.8013 -3.1145 0.0000 C 0 0 -4.1980 -2.0772 0.0000 F 0 0 -5.3978 -2.0732 0.0000 F 0 0 -6.0013 -3.1103 0.0000 F 0 0 1 6 1 0 1 10 1 0 2 10 2 0 2 7 1 0 3 13 2 0 3 14 1 0 3 18 1 0 4 5 2 0 4 6 1 0 5 8 1 0 5 11 1 0 6 7 2 0 7 9 1 0 8 9 2 0 8 12 1 0 10 13 1 0 14 15 1 0 14 16 1 0 14 17 1 0 18 19 1 0 18 20 1 0 18 21 1 0 M END > 168415 $$$$ SciTegic05042114222D 14 13 0 0 0 0 999 V2000 0.2606 0.1503 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 Pb 0 0 5.2000 -1.2000 0.0000 Cl 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 5.2028 1.5300 0.0000 C 0 0 6.5035 2.2787 0.0000 C 0 0 6.5064 3.7795 0.0000 C 0 0 10.1394 0.1503 0.0000 C 0 0 7.5464 4.3782 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 6 1 0 5 6 1 0 5 8 1 0 6 7 1 0 6 10 1 0 8 9 1 0 9 13 1 0 10 11 1 0 11 12 1 0 12 14 1 0 M END > 168597 > 13302-14-2 $$$$ SciTegic05042114222D 15 15 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 S 0 0 2.9474 2.3287 0.0000 N 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.6332 -2.2426 0.0000 N 0 3 -1.1470 -3.3397 0.0000 O 0 5 -2.8264 -2.1154 0.0000 O 0 0 2.6375 0.8603 0.0000 C 0 0 4.3738 2.7955 0.0000 N 0 0 4.6837 4.2640 0.0000 C 0 0 3.7905 5.0653 0.0000 S 0 0 6.1101 4.7307 0.0000 N 0 0 6.3579 5.9049 0.0000 C 0 0 1 5 1 0 1 6 1 0 2 10 2 0 2 11 1 0 3 5 2 0 3 4 1 0 4 6 2 0 5 10 1 0 6 7 1 0 7 8 1 0 7 9 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 M CHG 2 7 1 8 -1 M END > 169543 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 -3.6373 3.6000 0.0000 Br 0 0 -3.6373 0.9000 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -2.3233 4.6247 0.0000 C 0 0 1.0392 2.4000 0.0000 C 0 0 -1.2626 6.7300 0.0000 C 0 0 -2.3019 7.3299 0.0000 O 0 0 0.0368 7.4810 0.0000 O 0 0 0.0370 8.6810 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 1 15 1 0 2 12 2 0 3 4 2 0 3 5 1 0 3 23 1 0 4 7 1 0 5 6 2 0 6 8 1 0 7 8 2 0 7 9 1 0 8 12 1 0 9 10 1 0 9 13 1 0 9 18 1 0 10 11 1 0 11 14 1 0 12 15 1 0 13 15 1 0 13 16 1 0 14 16 1 0 16 17 1 0 16 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 23 24 1 0 M END > 169600 $$$$ SciTegic05042114222D 33 36 0 0 0 0 999 V2000 3.8808 -8.2579 0.0000 N 0 0 3.8912 -5.2578 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 S 0 0 5.1824 -7.5124 0.0000 C 0 0 5.1876 -6.0124 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 3.8725 -9.7587 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5691 -10.5028 0.0000 C 0 0 2.5608 -12.0036 0.0000 N 0 0 1.2574 -12.7476 0.0000 C 0 0 3.8978 3.7504 0.0000 C 0 0 4.9374 3.1511 0.0000 F 0 0 3.8974 4.9504 0.0000 F 0 0 4.9367 4.3509 0.0000 F 0 0 1.2492 -14.2484 0.0000 C 0 0 0.2070 -14.8433 0.0000 O 0 0 1 5 1 0 1 7 1 0 1 21 1 0 2 6 1 0 2 8 1 0 2 22 1 0 3 10 1 0 3 17 1 0 3 24 1 0 4 13 1 0 4 18 1 0 5 6 1 0 7 8 1 0 9 11 2 0 9 10 1 0 10 13 2 0 11 12 1 0 11 28 1 0 12 14 2 0 13 14 1 0 15 16 2 0 15 17 1 0 16 19 1 0 17 18 2 0 18 20 1 0 19 20 2 0 21 25 1 0 22 23 1 0 23 24 1 0 25 26 1 0 26 27 1 0 27 32 1 0 28 29 1 0 28 30 1 0 28 31 1 0 32 33 1 0 M END > 169676 > 66421-94-1 $$$$ SciTegic05042114222D 46 52 0 0 1 0 999 V2000 0.8780 1.9786 0.0000 H 0 0 -0.8074 -6.1082 0.0000 Br 0 0 0.8660 -2.0000 0.0000 H 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.5535 2.6312 0.0000 O 0 0 -5.1135 3.0267 0.0000 O 0 0 -3.1362 4.4521 0.0000 N 0 0 -5.9700 4.9188 0.0000 H 0 0 -4.6529 7.0405 0.0000 N 0 0 -2.5597 8.0932 0.0000 O 0 0 -7.0389 7.5019 0.0000 C 0 0 -5.6765 8.1295 0.0000 C 0 0 -6.8630 6.0122 0.0000 C 0 0 -5.3945 5.7366 0.0000 C 0 0 1 0 0 0 -4.6362 4.4424 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 -4.0398 -0.9358 0.0000 C 0 0 -5.2533 -1.8174 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -5.0966 -3.3092 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -3.7124 -4.0030 0.0000 C 0 0 -1.6105 -5.2165 0.0000 C 0 0 -3.8999 2.2087 0.0000 C 0 0 2 0 0 0 -2.6864 3.0268 0.0000 C 0 0 -3.1530 7.0501 0.0000 C 0 0 -2.3946 5.7560 0.0000 C 0 0 2 0 0 0 -3.1022 -5.3733 0.0000 N 0 0 -1.2999 2.2084 0.0000 C 0 0 -1.2998 3.4084 0.0000 O 0 0 -2.6000 1.4585 0.0000 N 0 0 2.3383 -1.3500 0.0000 C 0 0 -5.2001 1.4582 0.0000 C 0 0 -6.2397 2.0577 0.0000 C 0 0 -5.1998 0.2582 0.0000 C 0 0 -5.8299 4.3197 0.0000 O 0 0 -0.8938 5.7625 0.0000 C 0 0 -0.1368 4.4666 0.0000 C 0 0 1.0631 4.4718 0.0000 C 0 0 -0.7320 3.4245 0.0000 C 0 0 16 1 1 6 2 29 1 0 20 3 1 1 4 17 1 0 4 20 1 0 4 38 1 0 5 31 2 0 6 15 1 0 6 30 1 0 7 15 1 0 7 31 1 0 7 33 1 0 14 8 1 1 9 12 1 0 9 14 1 0 9 32 1 0 10 32 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 42 1 6 16 17 1 0 16 18 1 0 16 35 1 0 18 19 2 0 19 20 1 0 19 21 1 0 20 24 1 0 21 25 2 0 21 22 1 0 22 23 2 0 23 26 1 0 24 27 1 0 25 27 1 0 25 28 1 0 26 28 2 0 27 29 2 0 28 34 1 0 29 34 1 0 30 31 1 0 30 37 1 6 30 39 1 0 32 33 1 0 33 43 1 6 35 36 2 0 35 37 1 0 39 40 1 0 39 41 1 0 43 44 1 0 44 45 1 0 44 46 1 0 M END > 169774 $$$$ SciTegic05042114222D 20 21 0 0 1 0 999 V2000 0.0000 2.7000 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 1.7282 -3.5024 0.0000 H 0 0 2.5951 -3.0039 0.0000 C 0 0 1 0 0 0 3.8933 -3.7570 0.0000 N 0 0 7.5319 -3.1645 0.0000 O 0 0 5.1853 -7.2097 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 3.8902 -5.2570 0.0000 C 0 0 5.1877 -6.0097 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 5.1939 -3.0097 0.0000 C 0 0 6.4914 -3.7623 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.5568 -2.4023 0.0000 C 0 0 6.4883 -5.2623 0.0000 N 0 0 1 16 2 0 2 13 2 0 3 9 1 0 3 12 1 0 3 18 1 0 5 4 1 1 5 6 1 0 5 18 1 0 5 19 1 0 6 10 1 0 6 14 1 0 7 15 2 0 8 11 2 0 9 16 1 0 10 11 1 0 11 20 1 0 12 13 1 0 13 17 1 0 14 15 1 0 15 20 1 0 16 17 1 0 M END > 169779 > 24613-06-7 $$$$ SciTegic05042114222D 34 38 0 0 0 0 999 V2000 10.5097 -10.1714 0.0000 C 0 0 8.1062 -11.1579 0.0000 C 0 0 8.7959 -6.0066 0.0000 C 0 0 10.8525 -7.5941 0.0000 C 0 0 11.0793 -11.5590 0.0000 C 0 0 8.6758 -12.5455 0.0000 C 0 0 9.7124 -4.8192 0.0000 C 0 0 11.7691 -6.4067 0.0000 C 0 0 2.2738 -3.8234 0.0000 C 0 0 4.6773 -2.8370 0.0000 C 0 0 2.8433 -5.2111 0.0000 C 0 0 5.2468 -4.2247 0.0000 C 0 0 6.3902 -6.9976 0.0000 C 0 0 6.9629 -8.3848 0.0000 C 0 0 4.9025 -6.7990 0.0000 C 0 0 9.0232 -9.9707 0.0000 C 0 0 9.3659 -7.3942 0.0000 C 0 0 10.1623 -12.7461 0.0000 C 0 0 11.1990 -5.0193 0.0000 C 0 0 3.1884 -2.6408 0.0000 C 0 0 8.4505 -8.5834 0.0000 C 0 0 4.3298 -5.4117 0.0000 N 0 0 10.6180 -13.8563 0.0000 F 0 0 11.9323 -4.0693 0.0000 F 0 0 2.7248 -1.2135 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 4.8065 0.0000 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 5 2 0 1 16 1 0 2 6 1 0 2 16 2 0 3 7 2 0 3 17 1 0 4 8 1 0 4 17 2 0 5 18 1 0 6 18 2 0 7 19 1 0 8 19 2 0 9 11 1 0 9 20 1 0 10 12 1 0 10 20 1 0 11 22 1 0 12 22 1 0 13 14 1 0 13 15 1 0 14 21 1 0 15 22 1 0 16 21 1 0 17 21 1 0 18 23 1 0 19 24 1 0 20 25 1 0 25 26 1 0 25 28 1 0 26 27 2 0 26 31 1 0 27 29 1 0 27 34 1 0 28 29 1 0 28 30 2 0 31 32 2 0 32 33 1 0 33 34 2 0 M END > 170984 > 2062-78-4 $$$$ SciTegic05042114222D 37 41 0 0 0 0 999 V2000 -3.7898 0.1789 0.0000 O 0 0 -0.6318 0.8650 0.0000 O 0 0 -0.0458 -1.2470 0.0000 O 0 0 1.3051 -1.2920 0.0000 O 0 0 -0.6818 1.3249 0.0000 C 0 0 -1.3188 0.9569 0.0000 C 0 0 -0.0458 0.9569 0.0000 C 0 0 -0.0458 0.2219 0.0000 C 0 0 -1.3188 0.2219 0.0000 C 0 0 0.5911 -0.1449 0.0000 C 0 0 -0.6818 -0.1449 0.0000 C 0 0 -0.8828 0.4299 0.0000 C 0 0 -1.9548 -0.1449 0.0000 C 0 0 -2.5918 0.2219 0.0000 C 0 0 -3.2278 -0.1449 0.0000 C 0 0 0.5911 -0.8799 0.0000 C 0 0 -0.6818 -0.8799 0.0000 C 0 0 -1.9548 -0.8799 0.0000 C 0 0 -3.2278 -0.8799 0.0000 C 0 0 -1.3188 -1.2470 0.0000 C 0 0 -2.5918 -1.2470 0.0000 C 0 0 -3.8508 -1.2400 0.0000 O 0 0 -2.5918 -1.9950 0.0000 C 0 0 -2.2958 0.4449 0.0000 C 0 0 -1.6568 1.5429 0.0000 O 0 0 -0.6818 1.9749 0.0000 O 0 0 0.5841 1.3209 0.0000 C 0 0 1.2251 0.9512 0.0000 O 0 0 0.5839 2.0609 0.0000 O 0 0 -0.0570 2.4307 0.0000 C 0 0 1.2131 0.2139 0.0000 O 0 0 1.8539 -0.1560 0.0000 C 0 0 2.4948 0.2138 0.0000 O 0 0 1.8538 -0.8960 0.0000 C 0 0 3.3531 0.2139 0.0000 C 0 0 4.0318 -0.0808 0.0000 C 0 0 3.2691 0.9492 0.0000 C 0 0 1 15 2 0 2 7 1 0 2 12 1 0 3 16 1 0 3 17 1 0 4 16 2 0 5 6 1 0 5 7 1 0 5 26 1 0 6 9 1 0 6 25 1 0 7 8 1 0 7 27 1 0 8 10 1 0 8 11 1 0 9 11 1 0 9 13 1 0 10 16 1 0 10 31 1 0 11 12 1 0 11 17 1 0 13 14 1 0 13 18 1 0 13 24 1 0 14 15 1 0 15 19 1 0 17 20 1 0 18 20 1 0 18 21 1 0 19 21 2 0 19 22 1 0 21 23 1 0 27 28 2 0 27 29 1 0 29 30 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 M END > 172924 > 14907-98-3 $$$$ SciTegic05042114222D 28 30 0 0 1 0 999 V2000 -2.2896 -4.9425 0.0000 O 0 0 4.2194 0.1938 0.0000 C 0 0 3.1198 -0.8265 0.0000 C 0 0 3.8856 1.6562 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 1.6852 -2.7319 0.0000 C 0 0 1.3515 -4.1943 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.0000 -4.8451 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 2 0 0 0 -1.6852 -2.7319 0.0000 C 0 0 -1.3514 -4.1943 0.0000 C 0 0 0.0031 -6.3479 0.0000 O 0 0 1.0431 -6.9464 0.0000 C 0 0 3.4574 -2.2889 0.0000 O 0 0 4.6047 -2.6405 0.0000 C 0 0 -3.1497 -0.7220 0.0000 N 0 0 -3.5900 -2.1568 0.0000 C 0 0 -4.7594 -2.4262 0.0000 O 0 0 -2.7723 -3.0351 0.0000 C 0 0 5.6545 -0.2456 0.0000 O 0 0 6.5330 0.5718 0.0000 C 0 0 4.7653 2.4724 0.0000 O 0 0 1 17 2 0 2 3 2 0 2 4 1 0 2 26 1 0 3 6 1 0 3 20 1 0 4 5 2 0 4 28 1 0 5 7 1 0 6 7 2 0 6 8 1 0 7 11 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 13 2 0 11 14 1 0 12 16 2 0 12 15 1 0 13 17 1 0 13 18 1 0 14 15 1 0 15 22 1 1 16 17 1 0 18 19 1 0 20 21 1 0 22 23 1 0 23 24 2 0 23 25 1 0 26 27 1 0 M END > 172946 > 7336-33-6 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 Pb 0 0 2.6015 -3.0012 0.0000 O 0 0 1.2744 -2.2664 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 3.8990 -0.7507 0.0000 C 0 0 3.9021 -3.7502 0.0000 C 0 0 1.2747 -3.7673 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 5.1977 -1.5013 0.0000 C 0 0 3.8998 0.7493 0.0000 C 0 0 4.9404 -3.1486 0.0000 C 0 0 3.9042 -4.9502 0.0000 O 0 0 2.3142 -4.3667 0.0000 C 0 0 0.2360 -4.3681 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 6.4971 -0.7520 0.0000 C 0 0 5.1992 1.4987 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 6.4979 0.7480 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 1 0 5 1 1 0 6 2 1 0 7 3 1 0 8 4 2 0 9 4 1 0 10 5 2 0 11 5 1 0 12 6 1 0 13 6 2 0 14 7 1 0 15 7 2 0 16 8 1 0 17 9 2 0 18 10 1 0 19 11 2 0 20 16 2 0 21 18 2 0 20 17 1 0 21 19 1 0 M END > 173046 > 6928-68-3 $$$$ SciTegic05042114222D 31 32 0 0 0 0 999 V2000 -4.9433 -3.1497 0.0000 Cl 0 0 -5.2156 -10.4976 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.5248 -14.2470 0.0000 C 0 0 -6.5195 -12.7469 0.0000 C 0 0 -7.8264 -14.9925 0.0000 C 0 0 -7.8160 -11.9925 0.0000 C 0 0 -9.1228 -14.2380 0.0000 C 0 0 -9.1177 -12.7380 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -2.6039 -2.9994 0.0000 C 0 0 -2.6039 -1.7994 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 N 0 0 -3.9039 -3.7494 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -3.6460 -5.3970 0.0000 O 0 0 -1.3140 -8.2549 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9117 -8.2482 0.0000 N 0 0 -1.3187 -9.7558 0.0000 C 0 0 -0.2818 -10.3597 0.0000 C 0 0 -2.3600 -10.3521 0.0000 C 0 0 -3.9148 -9.7490 0.0000 C 0 0 -2.8766 -10.3508 0.0000 O 0 0 -5.2187 -11.9984 0.0000 C 0 0 1 20 1 0 2 29 1 0 2 31 1 0 3 4 2 0 3 5 1 0 4 6 1 0 5 7 2 0 5 15 1 0 6 8 2 0 7 8 1 0 9 11 2 0 9 10 1 0 10 12 2 0 10 31 1 0 11 13 1 0 12 14 1 0 13 14 2 0 15 18 1 0 16 17 2 0 16 18 1 0 16 20 1 0 18 19 1 0 19 21 1 0 21 22 2 0 21 24 1 0 23 24 1 0 23 26 1 0 24 25 1 0 25 29 1 0 26 27 1 0 26 28 1 0 29 30 2 0 M END > 173904 $$$$ SciTegic05042114222D 24 24 0 0 0 0 999 V2000 -4.9433 -3.1497 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -2.6039 -2.9994 0.0000 C 0 0 -2.6039 -1.7994 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 N 0 0 -3.9039 -3.7494 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -3.6460 -5.3970 0.0000 O 0 0 -3.9117 -8.2482 0.0000 N 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9148 -9.7490 0.0000 C 0 0 -4.9549 -10.3475 0.0000 O 0 0 -2.8766 -10.3508 0.0000 C 0 0 -1.3140 -8.2549 0.0000 C 0 0 -1.3187 -9.7558 0.0000 C 0 0 -0.2818 -10.3597 0.0000 C 0 0 -2.3600 -10.3521 0.0000 C 0 0 1 13 1 0 2 3 2 0 2 4 1 0 3 5 1 0 4 6 2 0 4 8 1 0 5 7 2 0 6 7 1 0 8 11 1 0 9 10 2 0 9 11 1 0 9 13 1 0 11 12 1 0 12 14 1 0 14 15 2 0 14 17 1 0 16 17 1 0 16 18 1 0 17 21 1 0 18 19 2 0 18 20 1 0 21 22 1 0 22 23 1 0 22 24 1 0 M END > 173905 $$$$ SciTegic05042114222D 44 47 0 0 0 0 999 V2000 -1.5630 3.6026 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.2041 6.0003 0.0000 C 0 0 -5.2059 -5.9988 0.0000 C 0 0 -5.2089 -7.4996 0.0000 C 0 0 -3.9020 3.7494 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.9051 5.2502 0.0000 C 0 0 -2.6061 7.5003 0.0000 C 0 0 -1.3071 8.2504 0.0000 C 0 0 -3.9051 8.2503 0.0000 C 0 0 -2.6062 10.5003 0.0000 C 0 0 -3.9050 -5.2502 0.0000 C 0 0 -6.5098 -8.2482 0.0000 C 0 0 -2.6011 -3.0008 0.0000 C 0 0 -2.6081 -6.0056 0.0000 C 0 0 -0.0057 7.5027 0.0000 N 0 0 -2.6093 12.0012 0.0000 N 0 0 -5.2042 7.5003 0.0000 N 0 0 -2.6060 6.0003 0.0000 N 0 0 -1.3071 9.7504 0.0000 N 0 0 -3.9052 9.7503 0.0000 N 0 0 -3.9020 -3.7494 0.0000 N 0 0 -2.6012 3.0008 0.0000 N 0 0 -6.5128 -9.7490 0.0000 O 0 0 -2.6129 -7.5064 0.0000 O 0 0 -7.5479 -7.6464 0.0000 O 0 0 -1.5630 -3.6026 0.0000 O 0 0 -1.5668 -5.4092 0.0000 O 0 0 0.8596 8.0039 0.0000 H 0 0 -0.0040 6.5027 0.0000 H 0 0 -3.4760 12.4999 0.0000 H 0 0 -1.7442 12.5027 0.0000 H 0 0 -4.7671 -3.2479 0.0000 H 0 0 -7.3796 -10.2478 0.0000 H 0 0 -1.7488 -8.0097 0.0000 H 0 0 1 32 1 0 2 3 2 0 2 4 1 0 3 5 1 0 4 12 2 0 5 13 2 0 6 7 1 0 6 14 2 0 7 15 2 0 8 16 2 0 8 27 1 0 9 10 1 0 9 21 1 0 10 22 1 0 11 16 1 0 11 32 1 0 12 13 1 0 12 14 1 0 13 15 1 0 14 23 1 0 15 32 1 0 16 28 1 0 17 18 1 0 17 19 1 0 17 28 2 0 18 25 1 0 18 29 2 0 19 27 2 0 19 30 1 0 20 26 1 0 20 29 1 0 20 30 2 0 21 24 1 0 21 31 1 0 22 33 1 0 22 35 2 0 23 31 1 0 23 36 2 0 24 34 1 0 24 37 2 0 25 38 1 0 25 39 1 0 26 40 1 0 26 41 1 0 31 42 1 0 33 43 1 0 34 44 1 0 M END > 174121 $$$$ SciTegic05042114222D 12 13 0 0 0 0 999 V2000 2.5972 1.5031 0.0000 Hg 0 0 2.5955 2.7031 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 2 1 0 1 4 1 0 3 4 2 0 3 5 1 0 4 8 1 0 5 9 2 0 5 6 1 0 6 7 2 0 7 10 1 0 8 11 2 0 9 11 1 0 9 12 1 0 10 12 2 0 M END > 174163 > 39966-41-1 $$$$ SciTegic05042114222D 16 16 0 0 0 0 999 V2000 -0.0031 -3.0008 0.0000 Hg 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -2.3383 1.3500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 C 0 0 -1.3039 -3.7494 0.0000 O 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.3471 -5.8487 0.0000 O 0 0 -0.2688 -5.8520 0.0000 C 0 0 1 3 1 0 1 13 1 0 2 4 2 0 2 3 1 0 2 10 1 0 3 5 2 0 4 6 1 0 4 8 1 0 5 7 1 0 5 12 1 0 6 7 2 0 6 9 1 0 7 11 1 0 13 14 1 0 14 15 2 0 14 16 1 0 M END > 174176 > 56457-41-1 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 174280 > 156-54-7 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 -8.4172 -6.5959 0.0000 H 0 0 -8.3198 -5.6006 0.0000 N 0 0 -5.9265 -5.3214 0.0000 O 0 0 -4.4133 -3.9865 0.0000 N 0 0 -10.9316 -4.7729 0.0000 C 0 0 -11.8220 -3.5658 0.0000 C 0 0 -9.4410 -4.6054 0.0000 C 0 0 -11.2219 -2.1911 0.0000 C 0 0 -8.8408 -3.2307 0.0000 C 0 0 -9.7312 -2.0235 0.0000 C 0 0 -7.3487 -3.3763 0.0000 C 0 0 -7.0262 -4.8413 0.0000 C 0 0 -2.4145 -1.7410 0.0000 C 0 0 -3.8840 -1.4401 0.0000 C 0 0 -1.4191 -0.6189 0.0000 C 0 0 -4.3580 -0.0169 0.0000 C 0 0 -1.8931 0.8042 0.0000 C 0 0 -3.3626 1.1052 0.0000 C 0 0 -3.2388 -4.2325 0.0000 N 0 0 -4.8823 -2.5608 0.0000 C 0 0 -6.3522 -2.2576 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 12 1 0 3 12 2 0 4 19 1 0 4 20 2 0 5 6 2 0 5 7 1 0 6 8 1 0 7 9 2 0 8 10 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 21 2 0 13 15 2 0 13 14 1 0 14 16 2 0 14 20 1 0 15 17 1 0 16 18 1 0 17 18 2 0 20 21 1 0 M END > 175274 > 844-63-3 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 -2.6078 -5.9988 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.9099 -8.2497 0.0000 C 0 0 -3.9099 -9.7497 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -1.3118 -8.2497 0.0000 C 0 0 -2.6109 -10.4997 0.0000 C 0 0 -1.3119 -9.7497 0.0000 C 0 0 -4.9492 -10.3497 0.0000 O 0 0 -0.2727 -10.3497 0.0000 O 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.2688 -5.8520 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.0432 3.5993 0.0000 C 0 0 1 10 1 0 1 16 1 0 2 3 2 0 2 4 1 0 3 5 1 0 4 6 2 0 4 19 1 0 5 7 2 0 5 20 1 0 6 7 1 0 8 9 2 0 8 10 1 0 9 12 1 0 9 14 1 0 10 11 2 0 11 13 1 0 12 13 2 0 13 15 1 0 16 17 2 0 16 18 1 0 18 19 2 0 20 21 1 0 M END > 175296 > 25528-10-3 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 175493 > 12128-65-3 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 2.1651 -1.2500 0.0000 H 0 0 1.2990 -0.7500 0.0000 N 0 0 -2.3383 1.3500 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 -2.1651 -1.2500 0.0000 H 0 0 -1.2122 -3.8625 0.0000 S 0 0 2.5981 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 1.2149 -3.8587 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.7536 -5.2860 0.0000 C 0 0 -0.7464 -5.2884 0.0000 C 0 0 -1.4502 -6.2603 0.0000 C 0 0 1 2 1 0 2 8 1 0 2 16 1 0 3 12 2 0 4 12 1 0 4 16 1 0 4 5 1 0 6 14 1 0 6 18 1 0 7 9 2 0 7 8 1 0 8 10 2 0 9 11 1 0 10 12 1 0 10 13 1 0 11 13 2 0 14 15 2 0 14 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 M END > 175634 $$$$ SciTegic05042114222D 24 27 0 0 0 0 999 V2000 -3.6373 -3.6000 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 N 0 0 2.1651 -1.2500 0.0000 H 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 2.5000 0.0000 H 0 0 6.4971 0.7567 0.0000 C 0 0 6.4995 -0.7434 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 5.2017 -1.4954 0.0000 C 0 0 3.8990 0.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 3.9014 -0.7475 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 22 1 0 2 17 1 0 2 19 1 0 2 3 1 0 4 24 2 0 5 17 1 0 5 24 1 0 5 6 1 0 7 8 2 0 7 9 1 0 8 12 1 0 9 13 2 0 9 10 1 0 10 11 2 0 11 14 1 0 12 15 2 0 13 16 1 0 13 15 1 0 14 16 2 0 16 17 1 0 18 20 2 0 18 19 1 0 19 21 2 0 20 22 1 0 21 23 1 0 21 24 1 0 22 23 2 0 M END > 175636 > 34934-08-2 $$$$ SciTegic05042114222D 13 13 0 0 1 0 999 V2000 2.3548 0.7651 0.0000 Cl 0 0 0.7500 -1.0323 0.0000 N 0 0 -0.7500 -1.0323 0.0000 O 0 0 -2.8460 1.8355 0.0000 H 0 0 -2.6384 0.8573 0.0000 C 0 0 2 0 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 1 0 0 0 -1.2135 0.3943 0.0000 C 0 0 2 0 0 0 0.0000 2.4760 0.0000 O 0 0 -2.3893 -0.3166 0.0000 N 0 0 -3.7544 -0.1463 0.0000 C 0 0 -4.8957 0.2245 0.0000 O 0 0 -3.5053 -1.3201 0.0000 O 0 0 1 6 1 0 2 6 2 0 2 3 1 0 8 3 1 6 5 4 1 1 8 5 1 0 5 10 1 0 5 11 1 0 6 7 1 0 7 8 1 0 7 9 1 1 11 12 2 0 11 13 1 0 M END > 176324 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 -0.3114 -2.9665 0.0000 O 0 0 -2.4133 -1.7530 0.0000 N 0 0 -2.0566 -5.2862 0.0000 H 0 0 -2.5550 -4.4193 0.0000 C 0 0 -4.0559 -4.4171 0.0000 C 0 0 -4.5568 -5.2826 0.0000 H 0 0 -8.5172 -1.4956 0.0000 O 0 0 -7.2977 0.6028 0.0000 O 0 0 -6.3053 -3.1124 0.0000 C 0 0 -7.0516 -1.8112 0.0000 C 0 0 -4.8052 -3.1167 0.0000 C 0 0 -6.2979 -0.5143 0.0000 C 0 0 -4.0516 -1.8197 0.0000 C 0 0 -4.7979 -0.5186 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -8.6697 -0.0034 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 1 17 1 0 1 22 1 0 2 22 2 0 2 18 1 0 3 4 1 0 4 5 2 0 4 22 1 0 5 6 1 0 5 11 1 0 7 10 1 0 7 21 1 0 8 12 1 0 8 21 1 0 9 11 2 0 9 10 1 0 10 12 2 0 11 13 1 0 12 14 1 0 13 14 2 0 15 16 2 0 15 17 1 0 16 19 1 0 17 18 2 0 18 20 1 0 19 20 2 0 M END > 176655 $$$$ SciTegic05042114222D 35 38 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -3.9020 -3.7494 0.0000 C 0 0 -3.9072 -5.2494 0.0000 C 0 0 -5.2089 -5.9949 0.0000 C 0 0 -6.5053 -5.2405 0.0000 C 0 0 -6.5001 -3.7405 0.0000 C 0 0 -5.1985 -2.9950 0.0000 C 0 0 -9.1053 -5.2270 0.0000 S 0 0 -10.4091 -5.9702 0.0000 C 0 0 -9.0990 -4.0270 0.0000 O 0 0 -8.0630 -4.6322 0.0000 O 0 0 -11.7052 -5.2134 0.0000 C 0 0 -13.0091 -5.9567 0.0000 C 0 0 -15.6090 -5.9432 0.0000 C 0 0 -16.6453 -5.3381 0.0000 N 0 0 -15.6153 -7.1431 0.0000 N 0 0 -14.3051 -5.1999 0.0000 N 0 0 -7.8092 -5.9837 0.0000 N 0 0 -2.6012 -3.0008 0.0000 N 0 0 -7.7965 1.4977 0.0000 N 0 3 -7.7986 2.6977 0.0000 O 0 5 -8.8349 0.8962 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 1 0 4 7 2 0 5 6 1 0 5 10 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 9 14 1 0 10 32 1 0 11 12 2 0 12 13 1 0 12 33 1 0 13 14 2 0 15 16 1 0 15 20 2 0 15 32 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 31 1 0 19 20 1 0 21 22 1 0 21 23 2 0 21 24 2 0 21 31 1 0 22 25 1 0 25 26 1 0 26 30 1 0 27 28 2 0 27 29 1 0 27 30 1 0 33 34 1 0 33 35 2 0 M CHG 2 33 1 34 -1 M END > 177365 > 63345-17-5 $$$$ SciTegic05042114222D 28 32 0 0 1 0 999 V2000 1.6012 -6.3691 0.0000 O 0 0 1.5191 -3.0886 0.0000 H 0 0 0.0956 -6.2860 0.0000 H 0 0 -0.9876 -5.2165 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 2.5981 3.0000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 1.1143 -4.0030 0.0000 C 0 0 1 0 0 0 0.5042 -5.3733 0.0000 C 0 0 2 0 0 0 2.5884 -4.1519 0.0000 C 0 0 2.9003 -5.6191 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 3.8994 0.7523 0.0000 O 0 0 4.9377 1.3538 0.0000 C 0 0 -3.8994 -0.7523 0.0000 O 0 0 -4.9378 -1.3538 0.0000 C 0 0 -1.0393 3.6000 0.0000 O 0 0 1 20 1 0 1 22 1 0 19 2 1 1 20 3 1 1 4 18 1 0 4 20 1 0 5 11 1 0 5 15 1 0 6 13 2 0 7 8 2 0 7 9 1 0 8 11 1 0 8 24 1 0 9 10 2 0 10 12 1 0 10 28 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 16 18 2 0 16 19 1 0 17 23 2 0 17 26 1 0 18 23 1 0 19 20 1 0 19 21 1 0 21 22 2 0 24 25 1 0 26 27 1 0 M END > 178249 > 22897-08-1 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 -0.0031 -3.0008 0.0000 O 0 0 -0.0031 3.0008 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3025 5.2502 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.2631 5.8499 0.0000 C 0 0 -2.6031 2.9979 0.0000 C 0 0 -3.9043 3.7442 0.0000 C 0 0 -5.2012 2.9905 0.0000 C 0 0 -5.1970 1.4905 0.0000 C 0 0 -3.8958 0.7442 0.0000 C 0 0 -2.5989 1.4979 0.0000 C 0 0 1.2953 3.7535 0.0000 C 0 0 1.2948 5.2536 0.0000 C 0 0 2.5936 6.0040 0.0000 C 0 0 3.8929 5.2545 0.0000 C 0 0 3.8935 3.7545 0.0000 C 0 0 2.5947 3.0040 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6078 -5.9988 0.0000 N 0 0 -2.6103 -7.1988 0.0000 C 0 0 -3.6460 -5.3970 0.0000 C 0 0 1 6 1 0 1 24 1 0 2 3 2 0 2 8 1 0 2 18 1 0 3 4 1 0 3 12 1 0 4 11 1 0 5 7 2 0 5 6 1 0 6 9 2 0 7 8 1 0 8 10 2 0 9 10 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 M END > 180973 > 54965-24-1 $$$$ SciTegic05042114222D 43 50 0 0 0 0 999 V2000 -5.0766 1.1511 0.0000 H 0 0 -4.2100 1.6500 0.0000 N 0 0 1.9600 0.9300 0.0000 O 0 0 1.9600 3.7500 0.0000 O 0 0 -5.4000 -4.7200 0.0000 O 0 0 5.6100 -1.1200 0.0000 N 0 0 -5.4000 -3.2800 0.0000 C 0 0 -4.1800 -2.6000 0.0000 C 0 0 -6.6400 -2.6000 0.0000 C 0 0 -4.1800 -1.1800 0.0000 C 0 0 -6.6400 -1.1800 0.0000 C 0 0 -2.9700 -0.4600 0.0000 C 0 0 -5.4000 -0.4600 0.0000 C 0 0 -2.9700 0.9300 0.0000 C 0 0 -1.7500 1.6500 0.0000 C 0 0 -0.5200 0.9300 0.0000 C 0 0 0.6900 1.6500 0.0000 C 0 0 0.6900 3.0400 0.0000 C 0 0 -1.7500 3.0400 0.0000 C 0 0 -0.5200 3.7500 0.0000 C 0 0 -2.9700 3.7500 0.0000 C 0 0 -2.1100 -4.7200 0.0000 C 0 0 -1.3700 -3.5300 0.0000 C 0 0 -1.4000 -5.9200 0.0000 C 0 0 0.0000 -3.5300 0.0000 C 0 0 0.0000 -5.9200 0.0000 C 0 0 0.7400 -4.7200 0.0000 C 0 0 3.0000 -1.4300 0.0000 C 0 0 4.4000 -0.4400 0.0000 C 0 0 4.4200 0.9300 0.0000 C 0 0 3.1800 1.6500 0.0000 C 0 0 5.6400 1.6500 0.0000 C 0 0 6.8500 -0.4600 0.0000 C 0 0 6.8500 0.9300 0.0000 C 0 0 5.6400 3.0400 0.0000 C 0 0 3.1800 3.0400 0.0000 C 0 0 4.4200 3.7500 0.0000 C 0 0 -4.2100 3.0400 0.0000 C 0 0 -7.9327 -3.3637 0.0000 O 0 0 -8.9782 -2.7748 0.0000 C 0 0 4.4333 5.2516 0.0000 O 0 0 5.4775 5.8429 0.0000 C 0 0 5.5963 -2.3199 0.0000 C 0 0 1 2 1 0 2 38 1 0 2 14 1 0 3 17 1 0 3 31 1 0 4 18 1 0 4 36 1 0 5 7 1 0 5 22 1 0 6 29 1 0 6 33 1 0 6 43 1 0 7 9 2 0 7 8 1 0 8 10 2 0 9 11 1 0 9 39 1 0 10 12 1 0 10 13 1 0 11 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 2 0 18 20 1 0 19 20 2 0 19 21 1 0 21 38 1 0 22 24 2 0 22 23 1 0 23 25 2 0 24 26 1 0 25 27 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 32 2 0 30 31 1 0 31 36 2 0 32 34 1 0 32 35 1 0 33 34 1 0 35 37 2 0 36 37 1 0 37 41 1 0 39 40 1 0 41 42 1 0 M END > 181486 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 -2.5987 -1.5004 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 2.5987 1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 4.0196 1.4570 0.0000 C 0 0 3.2676 2.7548 0.0000 C 0 0 -4.0196 -1.4569 0.0000 C 0 0 -3.2676 -2.7548 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 -2.5973 1.5031 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 -3.8933 3.7570 0.0000 O 0 0 -3.8912 5.2578 0.0000 C 0 0 -4.9292 5.8599 0.0000 C 0 0 3.8933 -3.7570 0.0000 O 0 0 3.8912 -5.2578 0.0000 C 0 0 4.9292 -5.8600 0.0000 C 0 0 1 8 1 0 1 13 1 0 1 14 1 0 2 6 2 0 3 9 2 0 4 7 1 0 4 11 1 0 4 12 1 0 5 7 2 0 5 6 1 0 5 15 1 0 6 8 1 0 7 9 1 0 8 10 2 0 9 10 1 0 10 16 1 0 11 12 1 0 13 14 1 0 15 17 1 0 16 19 1 0 17 18 2 0 17 24 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 25 26 1 0 M END > 182986 > 57998-68-2 $$$$ SciTegic05042114222D 23 24 0 0 0 0 999 V2000 2.9032 -5.5457 0.0000 S 0 0 1.4361 -5.2330 0.0000 Sn 0 0 1.2993 -3.7521 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 3.6540 -4.2472 0.0000 C 0 0 2.6510 -3.1318 0.0000 C 0 0 -1.9377 -1.6232 0.0000 C 0 0 -1.6955 -2.7985 0.0000 C 0 0 -0.2713 -3.2720 0.0000 C 0 0 0.0316 -4.7420 0.0000 C 0 0 0.0000 -3.0008 0.0000 S 0 0 -1.0394 -3.6005 0.0000 O 0 0 -0.0006 -4.2008 0.0000 O 0 0 1.7583 -6.6859 0.0000 C 0 0 0.6371 -7.6836 0.0000 C 0 0 0.9396 -9.1536 0.0000 C 0 0 0.0431 -9.9513 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 1 2 1 0 1 10 1 0 2 3 1 0 2 15 1 0 2 19 1 0 3 11 1 0 3 16 1 0 4 6 2 0 4 5 1 0 5 7 2 0 5 16 1 0 6 8 1 0 7 9 1 0 8 9 2 0 8 23 1 0 10 11 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 17 2 0 16 18 2 0 19 20 1 0 20 21 1 0 21 22 1 0 M END > 183359 $$$$ SciTegic05042114222D 35 39 0 0 0 0 999 V2000 9.0964 -5.2504 0.0000 O 0 0 3.8971 -4.9500 0.0000 O 0 0 3.8971 0.4500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.5981 -1.5000 0.0000 C 0 0 3.8971 -0.7500 0.0000 C 0 0 5.1962 -1.5000 0.0000 C 0 0 6.4952 -0.7500 0.0000 C 0 0 7.7942 -1.5000 0.0000 C 0 0 7.7942 -3.0000 0.0000 C 0 0 5.1962 -3.0000 0.0000 C 0 0 2.5981 -3.0000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 9.0939 -3.7504 0.0000 C 0 0 10.3919 -2.9984 0.0000 C 0 0 6.4952 -3.7500 0.0000 C 0 0 3.8971 -3.7500 0.0000 C 0 0 1.2990 -3.7500 0.0000 C 0 0 11.6921 -3.7463 0.0000 C 0 0 10.3966 -5.9984 0.0000 C 0 0 11.6945 -5.2463 0.0000 C 0 0 10.3985 -7.1984 0.0000 C 0 0 12.7347 -5.8447 0.0000 O 0 0 12.7304 -3.1447 0.0000 O 0 0 6.4952 -4.9500 0.0000 O 0 0 2.3383 -0.1500 0.0000 O 0 0 -1.0392 -2.1000 0.0000 O 0 0 -1.2707 1.9497 0.0000 O 0 0 -2.3239 0.1257 0.0000 C 0 0 1 20 1 0 1 26 1 0 2 23 2 0 3 12 2 0 4 8 1 0 4 11 1 0 4 6 1 0 4 32 1 0 5 8 2 0 6 10 1 0 6 19 1 0 6 33 1 0 7 9 1 0 7 10 1 0 7 34 1 0 7 35 1 0 8 9 1 0 11 18 2 0 11 12 1 0 12 13 1 0 13 17 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 2 0 16 20 1 0 17 22 1 0 17 23 1 0 18 23 1 0 18 24 1 0 19 24 2 0 20 21 1 0 21 25 1 0 22 31 1 0 25 27 1 0 25 30 1 0 26 27 1 0 26 28 1 0 27 29 1 0 M END > 184398 > 26055-63-0 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 3 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 0.0000 -6.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 1.2991 -5.2500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2991 -3.7500 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.6373 3.6000 0.0000 O 0 0 -1.2991 4.9500 0.0000 O 0 0 2.3383 -1.3500 0.0000 C 0 0 0.0000 -7.2000 0.0000 O 0 0 2.3383 -5.8500 0.0000 O 0 0 1 18 2 0 1 13 1 0 1 21 1 0 2 3 2 0 2 4 1 0 3 7 1 0 4 8 2 0 4 5 1 0 5 6 2 0 6 9 1 0 6 22 1 0 7 13 2 0 7 10 1 0 8 13 1 0 8 14 1 0 9 14 2 0 9 23 1 0 10 16 2 0 10 11 1 0 11 12 2 0 12 15 1 0 12 19 1 0 15 17 2 0 15 20 1 0 16 17 1 0 16 18 1 0 M CHG 1 1 1 M END > 184403 $$$$ SciTegic05042114222D 24 25 0 0 0 0 999 V2000 -6.4990 -0.7410 0.0000 O 0 0 -9.0994 0.4612 0.0000 Cl 0 0 -2.6003 -1.4978 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 2.5951 3.0039 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -7.8004 -2.9888 0.0000 C 0 0 -9.0994 -3.7388 0.0000 C 0 0 -7.8003 -1.4887 0.0000 C 0 0 -10.3985 -2.9887 0.0000 C 0 0 -9.0994 -0.7388 0.0000 C 0 0 -10.3984 -1.4887 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 -3.8990 -0.7455 0.0000 C 0 0 -3.8969 0.4545 0.0000 O 0 0 2.5972 1.5031 0.0000 C 0 0 3.8933 3.7570 0.0000 N 0 0 3.8912 5.2578 0.0000 C 0 0 4.9291 5.8600 0.0000 S 0 0 2.8509 5.8560 0.0000 N 0 0 1 13 1 0 1 17 1 0 2 15 1 0 3 7 1 0 3 18 1 0 4 10 2 0 4 6 1 0 5 20 2 0 5 21 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 20 1 0 11 12 2 0 11 13 1 0 12 14 1 0 13 15 2 0 14 16 2 0 15 16 1 0 17 18 1 0 18 19 2 0 21 22 1 0 22 23 2 0 22 24 1 0 M END > 185056 > 51984-29-3 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 2.5951 3.0039 0.0000 N 0 0 6.4784 9.7663 0.0000 N 0 0 6.4836 8.2663 0.0000 C 0 0 5.1872 7.5118 0.0000 C 0 0 3.8856 8.2574 0.0000 C 0 0 3.8804 9.7573 0.0000 C 0 0 5.1768 10.5118 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 2.5972 1.5031 0.0000 C 0 0 3.8933 3.7570 0.0000 N 0 0 3.8912 5.2578 0.0000 C 0 0 2.8509 5.8560 0.0000 S 0 0 5.1894 6.0109 0.0000 N 0 0 1 13 2 0 1 9 1 0 2 15 2 0 2 16 1 0 3 4 2 0 3 8 1 0 4 5 1 0 5 6 2 0 5 19 1 0 6 7 1 0 7 8 2 0 9 10 2 0 10 11 1 0 10 14 1 0 11 12 2 0 12 13 1 0 13 15 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > 185065 $$$$ SciTegic05042114222D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 5.1894 7.5110 0.0000 C 0 0 6.4884 8.2610 0.0000 C 0 0 5.1894 6.0109 0.0000 C 0 0 7.7875 7.5110 0.0000 C 0 0 6.4885 5.2610 0.0000 C 0 0 7.7875 6.0110 0.0000 C 0 0 -2.3383 -1.3500 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 14 1 0 2 4 1 0 2 16 1 0 3 5 2 0 4 6 2 0 4 15 1 0 5 6 1 0 5 13 1 0 7 8 2 0 7 9 1 0 8 10 1 0 9 11 2 0 9 20 1 0 10 12 2 0 11 12 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 M END > 191384 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3118 -8.2497 0.0000 C 0 0 -1.3119 -9.7497 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9099 -8.2497 0.0000 C 0 0 -2.6109 -10.4997 0.0000 C 0 0 -3.9100 -9.7497 0.0000 C 0 0 -2.6110 -11.6997 0.0000 C 0 0 -4.9492 -7.6497 0.0000 C 0 0 -2.6078 -5.9988 0.0000 N 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.2688 -5.8520 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 5 2 0 2 19 1 0 3 4 1 0 4 6 2 0 5 6 1 0 7 8 2 0 7 9 1 0 8 11 1 0 9 10 2 0 9 15 1 0 10 12 1 0 10 14 1 0 11 12 2 0 11 13 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 M END > 191389 > 19358-23-7 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 -4.9492 -10.3496 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3118 -8.2497 0.0000 C 0 0 -1.3119 -9.7497 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9099 -8.2497 0.0000 C 0 0 -2.6109 -10.4997 0.0000 C 0 0 -3.9100 -9.7497 0.0000 C 0 0 -4.9492 -7.6497 0.0000 C 0 0 -2.6078 -5.9988 0.0000 N 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.2688 -5.8520 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 1 13 1 0 2 4 2 0 2 3 1 0 3 6 2 0 3 19 1 0 4 5 1 0 5 7 2 0 6 7 1 0 8 9 2 0 8 10 1 0 9 12 1 0 10 11 2 0 10 15 1 0 11 13 1 0 11 14 1 0 12 13 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 M END > 191392 > 73108-81-3 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 0.0000 2.7000 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 5.1894 7.5110 0.0000 C 0 0 5.1894 6.0109 0.0000 C 0 0 6.4884 8.2610 0.0000 C 0 0 7.7875 7.5110 0.0000 C 0 0 6.4885 5.2610 0.0000 C 0 0 7.7875 6.0110 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 3.8912 5.2578 0.0000 C 0 0 1 5 1 0 2 4 2 0 2 3 1 0 2 14 1 0 3 6 2 0 4 5 1 0 4 15 1 0 5 7 2 0 6 7 1 0 8 10 2 0 8 9 1 0 9 12 2 0 9 19 1 0 10 11 1 0 11 13 2 0 12 13 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 M END > 191393 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 192965 > 41992-22-7 $$$$ SciTegic05042114222D 31 34 0 0 0 0 999 V2000 -0.2598 5.8500 0.0000 O 0 0 -4.9364 3.1500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -2.5981 6.0000 0.0000 C 0 0 -2.5981 7.5000 0.0000 C 0 0 -3.8972 8.2500 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -5.1962 7.5000 0.0000 C 0 0 -3.8972 5.2500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -5.1962 6.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -6.2354 5.4000 0.0000 O 0 0 1.0392 3.6000 0.0000 O 0 0 -3.6373 0.9000 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 2.5972 1.5031 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 0 2.3233 -0.1247 0.0000 O 0 0 2.5951 3.0039 0.0000 O 0 0 3.6331 3.6061 0.0000 C 0 0 1.2626 -2.2300 0.0000 C 0 0 0.2236 -2.8304 0.0000 C 0 0 1 4 2 0 2 18 2 0 3 11 1 0 3 16 1 0 3 27 1 0 3 30 1 0 4 5 1 0 4 8 1 0 5 13 2 0 5 6 1 0 6 7 2 0 7 12 1 0 8 9 2 0 8 14 1 0 9 10 1 0 9 22 1 0 10 15 2 0 10 11 1 0 11 25 1 0 12 17 2 0 13 17 1 0 13 18 1 0 14 19 2 0 14 18 1 0 15 19 1 0 15 20 1 0 16 20 1 0 17 21 1 0 19 23 1 0 20 24 1 0 25 26 2 0 25 28 1 0 28 29 1 0 30 31 1 0 M END > 196524 > 21288-60-8 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 4.9460 -3.4943 0.0000 O 0 0 -2.3383 1.3500 0.0000 Cl 0 0 3.3372 -5.2929 0.0000 O 0 0 1.3786 -3.8595 0.0000 N 0 0 0.0000 2.7000 0.0000 Cl 0 0 1.3101 -7.9371 0.0000 O 0 0 0.0286 -8.7167 0.0000 C 0 0 -1.1089 -7.7388 0.0000 C 0 0 -0.5304 -6.3549 0.0000 C 0 0 0.9508 -6.4988 0.0000 C 0 0 1.8372 -5.2877 0.0000 C 0 0 3.8056 -3.8679 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1 12 2 0 2 19 1 0 3 11 1 0 3 12 1 0 4 11 2 0 4 13 1 0 5 17 1 0 6 7 1 0 6 10 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 12 13 1 0 13 20 2 0 14 16 2 0 14 15 1 0 14 20 1 0 15 18 2 0 16 17 1 0 17 19 2 0 18 19 1 0 M END > 202000 $$$$ SciTegic05042114222D 26 30 0 0 1 0 999 V2000 1.6012 -6.3691 0.0000 O 0 0 1.5191 -3.0886 0.0000 H 0 0 0.0956 -6.2860 0.0000 H 0 0 -0.9876 -5.2165 0.0000 O 0 0 1.2990 -0.7500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 2.5981 3.0000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 1.1143 -4.0030 0.0000 C 0 0 1 0 0 0 0.5042 -5.3733 0.0000 C 0 0 2 0 0 0 2.5884 -4.1519 0.0000 C 0 0 2.9003 -5.6191 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -3.8994 -0.7523 0.0000 O 0 0 -4.9378 -1.3538 0.0000 C 0 0 -1.0393 3.6000 0.0000 O 0 0 1 20 1 0 1 22 1 0 19 2 1 1 20 3 1 1 4 18 1 0 4 20 1 0 5 11 1 0 5 15 1 0 6 13 2 0 7 9 2 0 7 8 1 0 8 11 2 0 9 10 1 0 10 12 2 0 10 26 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 16 18 2 0 16 19 1 0 17 23 2 0 17 24 1 0 18 23 1 0 19 20 1 0 19 21 1 0 21 22 2 0 24 25 1 0 M END > 204985 > 10048-13-2 $$$$ SciTegic05042114222D 58 64 0 0 1 0 999 V2000 17.9202 1.3851 0.0000 O 0 0 15.5918 -1.4729 0.0000 O 0 0 12.9914 -1.4798 0.0000 O 0 0 10.3911 1.5180 0.0000 O 0 0 7.7907 1.5158 0.0000 O 0 0 5.2007 -1.4909 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 2.6003 -1.4977 0.0000 O 0 0 -0.2598 -5.8500 0.0000 O 0 0 -4.9363 -3.1500 0.0000 O 0 0 -3.8971 -3.7500 0.0000 C 0 0 -3.8971 -5.2500 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 0 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 -5.1961 -6.0000 0.0000 C 0 0 -5.1961 -7.5000 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 -3.7500 0.0000 C 0 0 -2.5980 -6.0000 0.0000 C 0 0 -3.8971 -8.2500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5980 -7.5000 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 6.4972 -0.7364 0.0000 C 0 0 6.4920 0.7636 0.0000 C 0 0 9.0920 0.7680 0.0000 C 0 0 9.0920 -0.7320 0.0000 C 0 0 10.3911 -1.4820 0.0000 C 0 0 11.6901 -0.7320 0.0000 C 0 0 14.2901 -0.7275 0.0000 C 0 0 14.2850 0.7726 0.0000 C 0 0 15.5814 1.5271 0.0000 C 0 0 16.8882 -0.7184 0.0000 C 0 0 16.8830 0.7816 0.0000 C 0 0 11.6901 0.7680 0.0000 C 0 0 17.9295 -1.3148 0.0000 C 0 0 12.7293 1.3680 0.0000 C 0 0 10.3911 -2.6820 0.0000 O 0 0 -1.0536 2.0744 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.3394 1.6089 0.0000 C 0 0 7.5385 -1.3328 0.0000 C 0 0 5.1821 3.0099 0.0000 N 0 0 4.1399 3.6048 0.0000 C 0 0 6.2182 3.6153 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 O 0 0 -3.6331 3.6060 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 -1.5588 -8.1000 0.0000 O 0 0 1 41 2 0 2 37 1 0 2 40 1 0 3 36 1 0 3 37 1 0 4 42 1 0 4 33 1 0 5 32 1 0 5 33 1 0 6 28 1 0 6 31 1 0 7 20 1 0 7 21 1 0 7 8 1 6 8 28 1 0 9 26 2 0 10 11 2 0 11 12 1 0 11 17 1 0 12 23 2 0 12 18 1 0 13 14 1 0 13 15 1 0 13 53 1 1 14 20 1 0 14 46 1 6 14 47 1 0 15 16 2 0 15 21 1 0 16 17 1 0 17 22 2 0 18 19 2 0 19 24 1 0 21 25 2 0 22 25 1 0 22 26 1 0 23 26 1 0 23 27 1 0 24 27 2 0 25 57 1 0 27 58 1 0 28 29 1 0 29 30 1 0 30 32 1 0 30 50 1 0 31 32 1 0 31 49 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 45 1 0 36 42 1 0 37 38 1 0 38 39 1 0 39 41 1 0 40 41 1 0 40 43 1 0 42 44 1 0 47 48 1 0 50 51 1 0 50 52 1 0 53 54 2 0 53 55 1 0 55 56 1 0 M END > 208734 > 57576-44-0 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 -2.0541 -1.3755 0.0000 C 0 0 -0.8987 0.0000 0.0000 C 0 0 -0.8987 1.3205 0.0000 C 0 0 -0.6052 -0.9721 0.0000 C 0 0 0.4035 1.7790 0.0000 C 0 0 -0.6052 0.5686 0.0000 C 0 0 0.7703 -1.5223 0.0000 C 0 0 1.7790 1.2105 0.0000 C 0 0 1.7607 -0.2751 0.0000 C 0 0 0.3852 -0.6052 0.0000 C 0 0 3.2260 -0.4711 0.0000 N 0 0 3.8020 -1.8570 0.0000 C 0 0 3.0723 -2.8096 0.0000 O 0 0 7.3542 -3.6330 0.0000 C 0 0 8.0839 -2.6803 0.0000 O 0 0 7.9302 -5.0189 0.0000 O 0 0 3.9557 0.4816 0.0000 C 0 0 5.2901 -2.0520 0.0000 N 0 0 5.1364 -4.3906 0.0000 C 0 0 5.8661 -3.4379 0.0000 C 0 0 9.4183 -5.2139 0.0000 C 0 0 9.8788 -6.3221 0.0000 C 0 0 1 2 1 0 1 4 1 0 2 10 1 0 2 3 1 0 3 5 1 0 4 6 1 0 4 7 1 0 5 8 1 0 5 6 1 0 7 9 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 17 1 0 12 13 2 0 12 18 1 0 14 15 2 0 14 16 1 0 14 20 1 0 16 21 1 0 18 20 1 0 19 20 1 0 21 22 1 0 M END > 208913 > 33396-49-5 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 -2.0541 -1.3755 0.0000 C 0 0 -0.8987 0.0000 0.0000 C 0 0 -0.8987 1.3205 0.0000 C 0 0 -0.6052 -0.9721 0.0000 C 0 0 0.4035 1.7790 0.0000 C 0 0 -0.6052 0.5686 0.0000 C 0 0 0.7703 -1.5223 0.0000 C 0 0 1.7790 1.2105 0.0000 C 0 0 1.7607 -0.2751 0.0000 C 0 0 0.3852 -0.6052 0.0000 C 0 0 3.8020 -1.8570 0.0000 C 0 0 3.0723 -2.8096 0.0000 O 0 0 8.0839 -2.6803 0.0000 O 0 0 7.3542 -3.6330 0.0000 C 0 0 7.9302 -5.0189 0.0000 O 0 0 3.2260 -0.4711 0.0000 N 0 0 5.2901 -2.0520 0.0000 N 0 0 5.8661 -3.4379 0.0000 C 0 0 9.4183 -5.2139 0.0000 C 0 0 9.8788 -6.3221 0.0000 C 0 0 1 2 1 0 1 4 1 0 2 10 1 0 2 3 1 0 3 5 1 0 4 6 1 0 4 7 1 0 5 8 1 0 5 6 1 0 7 9 1 0 8 9 1 0 9 10 1 0 9 16 1 0 11 12 2 0 11 16 1 0 11 17 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 19 1 0 17 18 1 0 19 20 1 0 M END > 208914 > 33205-72-0 $$$$ SciTegic05042114222D 34 39 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 O 0 0 -2.5981 -3.0000 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 6.3072 4.0093 0.0000 O 0 0 4.2034 5.2195 0.0000 O 0 0 5.1969 1.5046 0.0000 C 0 0 3.8990 0.7525 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 1.2991 -3.7500 0.0000 C 0 0 1.2991 -5.2500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 0.0000 -6.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 5.6949 5.3787 0.0000 C 0 0 -3.9008 5.2492 0.0000 O 0 0 -2.8616 5.8494 0.0000 C 0 0 -6.5018 3.7420 0.0000 O 0 0 -7.5392 3.1388 0.0000 C 0 0 1 11 1 0 1 16 1 0 2 26 1 0 2 27 1 0 3 27 2 0 4 8 1 0 4 30 1 0 5 10 1 0 5 30 1 0 6 7 2 0 6 8 1 0 7 9 1 0 8 10 2 0 9 12 2 0 9 11 1 0 10 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 14 20 1 0 15 16 2 0 15 27 1 0 16 17 1 0 17 26 2 0 17 18 1 0 18 19 2 0 19 25 1 0 20 21 2 0 20 23 1 0 21 22 1 0 22 24 2 0 22 31 1 0 23 28 2 0 24 28 1 0 24 33 1 0 25 29 2 0 26 29 1 0 31 32 1 0 33 34 1 0 M END > 211489 $$$$ SciTegic05042114222D 28 32 0 0 0 0 999 V2000 -3.6387 0.8962 0.0000 C 0 0 -2.6024 2.6977 0.0000 C 0 0 2.5981 0.3000 0.0000 C 0 0 4.8131 4.5252 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 5.1961 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 5.1961 3.0000 0.0000 C 0 0 3.8971 0.7500 0.0000 C 0 0 3.3480 5.2205 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 3.8971 3.7500 0.0000 C 0 0 -1.2982 3.7531 0.0000 O 0 0 6.4974 3.7478 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 4.0323 6.2063 0.0000 O 0 0 -1.2990 -0.7500 0.0000 O 0 0 5.1934 0.0047 0.0000 O 0 0 1.8480 5.2205 0.0000 O 0 0 -1.2968 4.7531 0.0000 H 0 0 7.3627 3.2466 0.0000 H 0 0 1 17 1 0 2 17 1 0 3 18 1 0 4 19 1 0 5 6 2 0 5 7 1 0 6 8 1 0 6 18 1 0 7 22 2 0 7 24 1 0 8 9 2 0 8 10 1 0 9 17 1 0 9 24 1 0 10 11 1 0 10 20 1 0 11 13 1 0 11 26 1 0 12 14 1 0 12 15 1 0 12 25 1 0 13 18 1 0 13 19 1 0 14 19 1 0 14 21 1 0 15 18 1 0 15 25 1 0 16 19 1 0 16 23 2 0 16 26 1 0 20 27 1 0 21 28 1 0 M END > 211500 > 24338-53-2 $$$$ SciTegic05042114222D 41 45 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 3 0.0516 16.4858 0.0000 N 0 3 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -5.1752 10.5132 0.0000 C 0 0 -3.8788 9.7587 0.0000 C 0 0 -5.1701 12.0132 0.0000 C 0 0 -2.5772 10.5043 0.0000 C 0 0 -3.8685 12.7588 0.0000 C 0 0 -2.5720 12.0043 0.0000 C 0 0 -2.5464 16.5037 0.0000 C 0 0 -2.5568 15.0037 0.0000 C 0 0 -1.2423 17.2447 0.0000 C 0 0 -1.2629 14.2448 0.0000 C 0 0 0.0413 14.9858 0.0000 C 0 0 -3.8994 -3.7478 0.0000 N 0 3 -3.9015 -4.9478 0.0000 O 0 5 -4.9377 -3.1463 0.0000 O 0 0 2.3383 -1.3500 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 -2.5827 7.5048 0.0000 C 0 0 -1.5424 8.1030 0.0000 O 0 0 0.0156 5.9927 0.0000 N 0 3 0.0218 7.1927 0.0000 O 0 5 1.0519 5.3877 0.0000 O 0 0 -3.8809 8.2579 0.0000 N 0 0 -3.8602 14.2596 0.0000 N 0 0 1.0949 17.0786 0.0000 C 0 0 1 11 2 0 1 5 1 0 1 32 1 0 2 26 2 0 2 28 1 0 2 41 1 0 3 4 2 0 3 5 1 0 4 6 1 0 5 7 2 0 6 8 2 0 6 29 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 33 1 0 10 11 1 0 12 13 2 0 12 14 1 0 13 15 1 0 14 16 2 0 14 34 1 0 15 17 2 0 15 33 1 0 16 17 1 0 16 36 1 0 18 20 2 0 18 19 1 0 19 21 2 0 19 39 1 0 20 22 1 0 21 23 1 0 22 23 2 0 22 40 1 0 24 25 2 0 24 26 1 0 25 27 1 0 25 40 1 0 27 28 2 0 29 30 1 0 29 31 2 0 34 35 2 0 34 39 1 0 36 37 1 0 36 38 2 0 M CHG 6 1 1 2 1 29 1 30 -1 36 1 37 -1 M END > 218439 $$$$ SciTegic05042114222D 38 43 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -18.1984 2.9750 0.0000 N 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -15.6002 1.4750 0.0000 C 0 0 -15.6003 2.9751 0.0000 C 0 0 -16.8993 -0.7749 0.0000 C 0 0 -18.1983 -1.5250 0.0000 C 0 0 -16.8993 0.7251 0.0000 C 0 0 -14.3013 3.7251 0.0000 C 0 0 -14.3014 5.2251 0.0000 C 0 0 -19.4973 -0.7750 0.0000 C 0 0 -18.1984 1.4750 0.0000 C 0 0 -16.8994 3.7251 0.0000 C 0 0 -15.6004 5.9751 0.0000 C 0 0 -19.4974 0.7250 0.0000 C 0 0 -16.8994 5.2251 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -14.2989 0.7273 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -9.0990 0.7364 0.0000 C 0 0 -11.6990 0.7318 0.0000 C 0 0 -13.0003 1.4796 0.0000 C 0 0 -10.4003 1.4841 0.0000 C 0 0 -7.8003 1.4887 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 1 5 2 0 1 12 1 0 2 24 2 0 2 25 1 0 3 4 2 0 3 5 1 0 4 6 1 0 5 7 1 0 6 8 2 0 7 9 2 0 7 8 1 0 9 10 1 0 9 29 1 0 10 12 2 0 10 15 1 0 11 13 2 0 11 12 1 0 13 14 1 0 14 15 2 0 16 20 2 0 16 17 1 0 16 30 1 0 17 25 2 0 17 21 1 0 18 19 2 0 18 20 1 0 19 23 1 0 20 24 1 0 21 22 2 0 22 26 1 0 23 27 2 0 24 27 1 0 25 28 1 0 26 28 2 0 29 31 1 0 30 35 1 0 31 38 1 0 32 37 1 0 32 38 1 0 33 36 1 0 33 37 1 0 34 35 1 0 34 36 1 0 M END > 219734 > 57780-57-1 $$$$ SciTegic05042114222D 26 26 0 0 0 0 999 V2000 2.1651 -1.2500 0.0000 H 0 0 0.0000 -2.7000 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -2.1651 -1.2500 0.0000 H 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 0.8620 3.5023 0.0000 H 0 0 -2.1691 3.2479 0.0000 H 0 0 -1.3039 3.7494 0.0000 C 0 0 -0.2688 5.8520 0.0000 O 0 0 -1.3070 5.2502 0.0000 C 0 0 -2.6109 7.4996 0.0000 C 0 0 -3.4761 6.9981 0.0000 H 0 0 -2.3383 1.3500 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 -3.9118 8.2481 0.0000 C 0 0 -1.3126 8.2522 0.0000 C 0 0 -1.3139 9.4522 0.0000 O 0 0 -3.9149 9.7490 0.0000 C 0 0 -4.9550 10.3475 0.0000 C 0 0 -2.8767 10.3508 0.0000 C 0 0 1 3 1 0 2 4 2 0 3 6 1 0 3 4 1 0 4 7 1 0 5 6 2 0 6 9 1 0 7 10 1 0 7 8 1 0 9 11 1 0 9 10 2 0 10 19 1 0 11 12 1 0 11 14 2 0 13 14 1 0 14 16 1 0 15 16 2 0 16 20 1 0 17 18 1 0 17 20 1 0 17 21 1 0 17 22 1 0 21 24 1 0 22 23 1 0 24 25 1 0 24 26 1 0 M END > 224117 $$$$ SciTegic05042114222D 24 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8942 5.2539 0.0000 O 0 0 -2.6030 5.9994 0.0000 O 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.6462 8.0987 0.0000 O 0 0 -5.1907 7.2070 0.0000 O 0 0 -2.6061 7.5002 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 -1.3022 5.2508 0.0000 C 0 0 -3.8963 3.7531 0.0000 C 0 0 -1.5679 8.1020 0.0000 N 0 0 -6.2327 5.4088 0.0000 N 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 3 19 1 0 4 6 1 0 4 20 1 0 5 7 1 0 5 6 2 0 6 9 1 0 7 8 2 0 7 11 1 0 9 12 1 0 9 10 2 0 11 12 2 0 11 21 1 0 12 22 1 0 13 15 1 0 13 22 1 0 14 18 1 0 14 21 1 0 15 17 2 0 15 24 1 0 16 18 2 0 18 23 1 0 M END > 224124 > 57999-04-9 $$$$ SciTegic05042114222D 16 15 0 0 0 0 999 V2000 3.9000 0.7500 0.0000 C 0 0 3.9031 2.2508 0.0000 C 0 0 2.8649 2.8526 0.0000 O 0 0 4.9431 2.8494 0.0000 O 0 0 2.6000 0.0000 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 1.3000 1.9500 0.0000 O 0 0 0.2606 0.1503 0.0000 O 0 0 6.5000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 N 0 0 6.5000 1.9500 0.0000 O 0 0 7.7999 0.0000 0.0000 C 0 0 10.1394 0.1503 0.0000 O 0 0 9.0999 0.7500 0.0000 P 0 0 9.0999 1.9500 0.0000 O 0 0 10.1391 1.3502 0.0000 O 0 0 1 2 1 0 1 5 1 0 1 10 1 0 2 3 1 0 2 4 2 0 5 6 1 0 6 7 1 0 6 8 2 0 9 10 1 0 9 11 2 0 9 12 1 0 12 14 1 0 13 14 2 0 14 15 1 0 14 16 1 0 M END > 224131 > 60342-56-5 $$$$ SciTegic05042114222D 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 $$$$ SciTegic05042114222D 24 24 0 0 0 0 999 V2000 2.1651 -1.2500 0.0000 H 0 0 0.0000 -2.7000 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -2.1651 -1.2500 0.0000 H 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 0.8620 3.5023 0.0000 H 0 0 -2.1691 3.2479 0.0000 H 0 0 -1.3039 3.7494 0.0000 C 0 0 -0.2688 5.8520 0.0000 O 0 0 -1.3070 5.2502 0.0000 C 0 0 -3.9149 9.7490 0.0000 S 0 0 -2.3383 1.3500 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 -2.6109 7.4996 0.0000 C 0 0 -3.9118 8.2481 0.0000 C 0 0 -1.3140 8.2549 0.0000 C 0 0 -1.3179 9.4549 0.0000 O 0 0 -4.9550 10.3475 0.0000 C 0 0 1 3 1 0 2 4 2 0 3 6 1 0 3 4 1 0 4 7 1 0 5 6 2 0 6 9 1 0 7 10 1 0 7 8 1 0 9 11 1 0 9 10 2 0 10 18 1 0 11 12 1 0 11 14 2 0 13 14 1 0 14 16 1 0 15 16 2 0 16 19 1 0 17 21 1 0 17 24 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 M END > 233872 > 61827-19-8 $$$$ SciTegic05042114222D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -6.4920 -0.7636 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -7.7907 -1.5158 0.0000 C 0 0 -8.8311 -0.9179 0.0000 O 0 0 -7.7886 -2.7158 0.0000 O 0 0 1 16 2 0 1 17 1 0 2 4 2 0 2 3 1 0 2 22 1 0 3 5 2 0 4 6 1 0 5 7 1 0 6 7 2 0 7 21 1 0 8 12 2 0 8 9 1 0 8 21 1 0 9 17 2 0 9 13 1 0 10 11 2 0 10 12 1 0 11 15 1 0 12 16 1 0 13 14 2 0 14 18 1 0 15 19 2 0 16 19 1 0 17 20 1 0 18 20 2 0 22 23 2 0 22 24 1 0 M END > 235082 > 64894-81-1 $$$$ SciTegic05042114222D 54 57 0 0 0 0 999 V2000 -6.0450 4.7174 0.0000 O 0 0 -6.0450 4.0074 0.0000 C 0 0 -5.1949 4.0074 0.0000 O 0 0 -5.2300 0.0224 0.0000 O 0 0 -4.2999 3.1124 0.0000 C 0 0 -4.3600 0.0224 0.0000 C 0 0 -4.2999 -3.2174 0.0000 C 0 0 -2.8199 1.6324 0.0000 C 0 0 -2.8199 4.8024 0.0000 C 0 0 -2.8199 -1.5575 0.0000 C 0 0 -2.7999 -4.6974 0.0000 O 0 0 -1.2899 3.1124 0.0000 C 0 0 -1.2400 -4.0855 0.0000 O 0 0 -1.2400 -4.6974 0.0000 C 0 0 -0.5000 -2.3474 0.0000 C 0 0 -0.5000 -3.0894 0.0000 C 0 0 0.3700 -1.5074 0.0000 C 0 0 0.2899 -4.0074 0.0000 C 0 0 0.2899 -4.6974 0.0000 C 0 0 0.3400 4.8024 0.0000 C 0 0 1.0799 -2.4574 0.0000 C 0 0 1.0799 -3.1204 0.0000 C 0 0 1.1349 -5.5425 0.0000 O 0 0 1.8799 3.1124 0.0000 C 0 0 1.8799 2.4024 0.0000 O 0 0 1.9299 -1.5274 0.0000 C 0 0 1.9299 -0.8454 0.0000 O 0 0 1.8799 -4.0374 0.0000 C 0 0 1.8799 -4.7974 0.0000 O 0 0 2.6699 2.4024 0.0000 C 0 0 2.6699 -3.1885 0.0000 C 0 0 2.6699 -2.4574 0.0000 C 0 0 2.6699 1.5324 0.0000 O 0 0 3.5099 4.8024 0.0000 C 0 0 3.5099 -1.5274 0.0000 N 0 0 3.4900 2.4024 0.0000 H 0 0 3.5099 -0.8454 0.0000 H 0 0 5.1500 1.5824 0.0000 C 0 0 5.1500 3.1635 0.0000 C 0 0 5.0399 -3.2174 0.0000 C 0 0 5.0399 -4.0074 0.0000 O 0 0 6.6799 -1.5274 0.0000 C 0 0 6.6799 0.0024 0.0000 C 0 0 -7.0450 4.0074 0.0000 C 0 0 -6.1299 0.0224 0.0000 C 0 0 -2.8199 5.4854 0.0000 C 0 0 -2.0289 1.6324 0.0000 C 0 0 -1.3700 -2.3474 0.0000 C 0 0 -1.2899 2.3224 0.0000 O 0 0 -0.3999 -5.5374 0.0000 C 0 0 0.3700 -0.8424 0.0000 O 0 0 0.3400 5.4844 0.0000 C 0 0 3.5099 5.4844 0.0000 C 0 0 7.5299 -2.3775 0.0000 C 0 0 1 2 2 0 2 3 1 0 2 44 1 0 3 5 1 0 4 6 1 0 4 45 1 0 5 9 1 0 5 8 1 0 6 8 1 0 6 10 1 0 7 10 2 0 7 11 1 0 8 47 1 0 9 12 1 0 9 46 1 0 11 14 1 0 12 20 1 0 12 49 1 0 13 16 1 0 13 14 1 0 14 19 1 0 14 50 1 0 15 17 2 0 15 16 1 0 15 48 1 0 16 18 2 0 17 21 1 0 17 51 1 0 18 22 1 0 18 19 1 0 19 23 2 0 20 24 1 0 20 52 1 0 21 26 1 0 21 22 2 0 22 28 1 0 24 34 1 0 24 25 1 0 25 30 1 0 26 27 2 0 26 32 1 0 28 31 1 0 28 29 2 0 30 36 1 0 30 33 2 0 31 32 2 0 32 35 1 0 34 39 1 0 34 53 1 0 35 37 1 0 35 40 1 0 38 39 2 0 38 43 1 0 40 42 1 0 40 41 2 0 42 43 2 0 42 54 1 0 M END > 239375 > 51757-10-9 $$$$ SciTegic05042114222D 27 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 N 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4994 0.7432 0.0000 C 0 0 -5.2004 2.9933 0.0000 C 0 0 -7.7985 1.4932 0.0000 C 0 0 -6.4995 3.7432 0.0000 C 0 0 -7.7985 2.9932 0.0000 C 0 0 -9.0968 3.7462 0.0000 N 0 0 -10.3912 7.2001 0.0000 Br 0 0 -12.7382 3.1591 0.0000 Br 0 0 0.0031 3.0008 0.0000 C 0 0 1.0432 3.5994 0.0000 O 0 0 -1.0351 3.6026 0.0000 O 0 0 -6.4994 -0.4568 0.0000 C 0 0 -9.0947 5.2471 0.0000 C 0 0 -10.3993 3.0007 0.0000 C 0 0 -10.3929 6.0001 0.0000 C 0 0 -11.6967 3.7552 0.0000 C 0 0 -11.4331 5.4019 0.0000 C 0 0 -11.6926 4.9552 0.0000 C 0 0 1 2 2 0 1 3 1 0 2 4 1 0 3 5 2 0 4 6 2 0 4 18 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 11 2 0 9 10 1 0 10 12 2 0 10 21 1 0 11 13 1 0 12 14 1 0 13 14 2 0 14 15 1 0 15 22 1 0 15 23 1 0 16 24 1 0 17 25 1 0 18 19 2 0 18 20 1 0 22 24 1 0 23 25 1 0 24 26 1 0 25 27 1 0 M END > 240419 > 39669-49-3 $$$$ SciTegic05042114222D 28 28 0 0 0 0 999 V2000 2.3383 1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 2.1651 -1.2500 0.0000 H 0 0 -3.4641 -1.0046 0.0000 H 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -1.7282 -3.5024 0.0000 H 0 0 -3.8933 -3.7570 0.0000 C 0 0 -4.9336 -3.1588 0.0000 O 0 0 -3.8912 -5.2578 0.0000 N 0 0 -3.0243 -5.7563 0.0000 H 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -2.7000 0.0000 C 0 0 -5.1894 -6.0109 0.0000 C 0 0 -6.4920 -5.2655 0.0000 C 0 0 -5.1872 -7.5117 0.0000 C 0 0 -7.5293 -5.8687 0.0000 O 0 0 -6.4854 -8.2648 0.0000 S 0 0 -7.5257 -7.6667 0.0000 O 0 0 -6.4833 -9.7657 0.0000 C 0 0 -7.7815 -10.5188 0.0000 C 0 0 -7.7793 -12.0196 0.0000 C 0 0 -8.8173 -12.6217 0.0000 C 0 0 1 16 2 0 2 13 2 0 3 16 1 0 3 15 1 0 3 4 1 0 5 6 1 0 6 7 2 0 6 14 1 0 7 9 1 0 7 8 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 19 1 0 13 14 1 0 13 17 1 0 14 15 2 0 15 18 1 0 16 17 1 0 19 20 1 0 19 21 1 0 20 22 1 0 21 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M END > 241509 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3092 5.2494 0.0000 C 0 0 -2.6005 2.9949 0.0000 C 0 0 -2.6108 5.9949 0.0000 C 0 0 -3.9021 3.7404 0.0000 C 0 0 -3.9073 5.2404 0.0000 C 0 0 -5.2081 5.9890 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 -0.0031 3.0008 0.0000 C 0 0 -0.2721 5.8530 0.0000 O 0 0 -2.5963 1.7949 0.0000 O 0 0 -5.2008 2.9882 0.0000 C 0 0 -5.1987 1.7882 0.0000 O 0 0 -5.2105 7.1890 0.0000 C 0 0 -6.5021 3.7359 0.0000 C 0 0 -7.8008 2.9837 0.0000 C 0 0 -9.1020 3.7315 0.0000 C 0 0 -10.4011 2.9815 0.0000 C 0 0 -11.7002 3.7315 0.0000 C 0 0 -11.7002 5.2315 0.0000 C 0 0 -10.4012 5.9815 0.0000 C 0 0 -9.1021 5.2315 0.0000 C 0 0 1 3 1 0 1 2 2 0 2 4 1 0 3 5 2 0 3 14 1 0 4 6 2 0 5 6 1 0 5 15 1 0 7 8 1 0 7 9 2 0 7 15 1 0 8 10 2 0 8 16 1 0 9 11 1 0 9 17 1 0 10 12 1 0 11 12 2 0 11 18 1 0 12 13 1 0 13 20 1 0 18 19 2 0 18 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 M END > 241906 > 58449-06-2 $$$$ SciTegic05042114222D 59 66 0 0 0 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 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 3.6373 0.9000 0.0000 O 0 0 2.5981 3.0000 0.0000 C 0 0 -1.2626 -2.2300 0.0000 C 0 0 -2.3233 -0.1247 0.0000 O 0 0 5.1851 -6.0107 0.0000 N 0 0 2.5847 -6.0040 0.0000 C 0 0 0.2470 -5.8459 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 3.8971 3.7500 0.0000 C 0 0 -0.2236 -2.8304 0.0000 C 0 0 6.2255 -5.4128 0.0000 C 0 0 5.1830 -7.2107 0.0000 C 0 0 2.5765 -7.5048 0.0000 O 0 0 -2.5951 3.0039 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 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 1.2731 -8.2489 0.0000 C 0 0 -3.6331 3.6060 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 1.2626 -9.7489 0.0000 C 0 0 -0.0209 -7.4899 0.0000 O 0 0 2.5980 7.5000 0.0000 C 0 0 6.2354 5.4000 0.0000 O 0 0 5.1961 7.5000 0.0000 C 0 0 -0.0416 -10.4899 0.0000 C 0 0 -1.3250 -8.2309 0.0000 C 0 0 1.5588 8.1000 0.0000 O 0 0 3.8971 8.2500 0.0000 C 0 0 -1.3354 -9.7309 0.0000 C 0 0 -0.0520 -11.9898 0.0000 O 0 0 -2.3601 -7.6238 0.0000 C 0 0 -2.6396 -10.4719 0.0000 O 0 0 -1.3562 -12.7308 0.0000 C 0 0 -2.6500 -11.9718 0.0000 C 0 0 -1.3665 -14.2308 0.0000 C 0 0 -3.9542 -12.7128 0.0000 O 0 0 -2.6707 -14.9718 0.0000 C 0 0 -3.9646 -14.2128 0.0000 C 0 0 -2.6790 -16.1717 0.0000 O 0 0 -5.0079 -14.8056 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 2 1 0 6 3 1 0 7 3 1 0 8 4 2 0 9 4 1 0 10 5 1 0 11 6 1 0 12 7 1 0 13 8 1 0 13 10 1 0 14 8 1 0 15 9 1 0 16 9 2 0 17 10 1 0 18 10 1 0 19 11 1 0 20 11 1 0 20 12 1 0 21 12 1 0 22 13 1 0 23 14 2 0 23 16 1 0 24 16 1 0 25 17 1 0 26 19 1 0 27 19 1 0 28 20 1 0 29 22 1 0 30 22 2 0 31 23 1 0 32 24 2 0 33 24 1 0 34 28 1 0 35 29 1 0 36 31 2 0 37 31 1 0 37 33 1 0 38 33 2 0 39 34 1 0 40 34 1 0 41 37 2 0 42 38 1 0 43 38 1 0 44 39 1 0 45 40 1 0 46 41 1 0 47 41 1 0 47 43 2 0 48 44 1 0 48 45 1 0 49 44 1 0 50 45 1 0 51 48 1 0 52 49 1 0 53 51 1 0 53 52 1 0 54 52 1 0 55 53 1 0 56 54 1 0 57 55 1 0 57 56 1 0 58 56 2 0 59 57 1 0 M END > 243023 $$$$ SciTegic05042114222D 29 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -6.4920 -0.7636 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -5.2091 2.9917 0.0000 O 0 0 -6.2512 3.5866 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -7.7876 -1.5212 0.0000 N 0 0 -7.7802 -3.0220 0.0000 S 0 0 -6.7379 -3.6166 0.0000 O 0 0 -6.7440 -2.4167 0.0000 O 0 0 -9.0758 -3.7796 0.0000 C 0 0 -9.0700 -4.9795 0.0000 C 0 0 1 16 2 0 1 17 1 0 2 3 2 0 2 5 1 0 2 24 1 0 3 4 1 0 4 6 2 0 4 21 1 0 5 7 2 0 6 7 1 0 6 23 1 0 8 9 2 0 8 12 1 0 8 23 1 0 9 10 1 0 9 16 1 0 10 11 2 0 11 15 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 18 1 0 15 19 2 0 16 19 1 0 17 20 1 0 18 20 2 0 21 22 1 0 24 25 1 0 25 26 2 0 25 27 2 0 25 28 1 0 28 29 1 0 M END > 243928 $$$$ SciTegic05042114222D 32 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 O 0 0 3.6510 -8.0981 0.0000 Cl 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3064 4.9494 0.0000 O 0 0 -2.3421 3.1476 0.0000 C 0 0 3.8990 0.7455 0.0000 O 0 0 5.2003 1.4932 0.0000 C 0 0 6.2387 0.8918 0.0000 O 0 0 5.2024 2.6932 0.0000 C 0 0 -2.6003 1.4977 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 -4.9395 1.3433 0.0000 O 0 0 -3.8969 -0.4545 0.0000 C 0 0 2.6003 1.4978 0.0000 C 0 0 -2.5972 -1.5031 0.0000 O 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.6331 -3.6061 0.0000 O 0 0 -1.5548 -3.6021 0.0000 C 0 0 0.0031 -3.0008 0.0000 N 0 0 1.3039 -3.7494 0.0000 C 0 0 2.3421 -3.1476 0.0000 O 0 0 1.3070 -5.2502 0.0000 N 0 0 0.0101 -6.0056 0.0000 N 0 0 0.0139 -7.2056 0.0000 O 0 0 2.6078 -5.9988 0.0000 C 0 0 2.6109 -7.4996 0.0000 C 0 0 1 3 1 0 1 7 1 0 2 32 1 0 3 4 1 0 3 20 1 0 4 5 1 0 4 8 1 0 5 6 1 0 5 16 1 0 6 7 1 0 6 21 1 0 7 25 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 13 1 0 12 20 1 0 13 14 2 0 13 15 1 0 16 17 1 0 17 18 2 0 17 19 1 0 21 22 1 0 22 23 2 0 22 24 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 28 31 1 0 29 30 2 0 31 32 1 0 M END > 245432 > 42936-80-1 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V3000 M V30 BEGIN CTAB M V30 COUNTS 30 33 0 0 0 M V30 BEGIN ATOM M V30 1 Br 3.3031 -3.1008 0 0 M V30 2 Pt 1.8032 -3.1233 0 0 M V30 3 Br 1.034 -4.411 0 0 M V30 4 N 2.4133 -1.753 0 0 M V30 5 S 0.3114 -2.9665 0 0 M V30 6 C 1.299 -0.75 0 0 M V30 7 C 3.5473 -0.5696 0 0 M V30 8 C 0 -1.5 0 0 M V30 9 C 1.299 0.75 0 0 M V30 10 N 2.9371 0.8007 0 0 M V30 11 N -1.299 -0.75 0 0 M V30 12 N 0 1.5 0 0 M V30 13 C 3.7349 2.0718 0 0 M V30 14 C -1.299 0.75 0 0 M V30 15 O 5.2227 2.0756 0 0 M V30 16 C 3.2358 3.4695 0 0 M V30 17 N -2.6003 1.4977 0 0 M V30 18 C 5.6625 3.5097 0 0 M V30 19 O 1.8008 3.8999 0 0 M V30 20 C 4.4346 4.3712 0 0 M V30 21 C 7.0806 3.9933 0 0 M V30 22 O 4.4129 5.8692 0 0 M V30 23 O 8.211 3.006 0 0 M V30 24 H 9.6307 3.4902 0 0 M V30 25 H 5.7004 6.6388 0 0 M V30 26 H 1.4546 5.3594 0 0 M V30 27 H -3.8983 0.7459 0 0 M V30 28 H -2.603 2.9977 0 0 M V30 29 H 0 3 0 0 M V30 30 H -0.6923 -4.0811 0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 1 6 4 M V30 2 2 7 4 M V30 3 2 8 5 M V30 4 2 9 6 M V30 5 1 10 7 M V30 6 1 11 8 M V30 7 1 12 9 M V30 8 1 13 10 M V30 9 2 14 11 M V30 10 1 15 13 M V30 11 1 16 13 M V30 12 1 17 14 M V30 13 1 18 15 M V30 14 1 19 16 M V30 15 1 20 16 M V30 16 1 21 18 M V30 17 1 22 20 M V30 18 1 23 21 M V30 19 1 8 6 M V30 20 1 10 9 M V30 21 1 14 12 M V30 22 1 20 18 M V30 23 1 23 24 M V30 24 1 22 25 M V30 25 1 19 26 M V30 26 1 17 27 M V30 27 1 17 28 M V30 28 1 12 29 M V30 29 1 5 30 M V30 30 9 2 1 DISP=DATIVE M V30 31 9 2 3 DISP=DATIVE M V30 32 9 2 4 DISP=DATIVE M V30 33 9 2 5 DISP=DATIVE M V30 END BOND M V30 END CTAB M END > 248436 > 57588-03-1 $$$$ SciTegic05042114222D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -6.4920 -0.7636 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -7.7876 -1.5212 0.0000 N 0 0 -2.6003 1.4977 0.0000 N 0 0 -7.7802 -3.0220 0.0000 S 0 0 -8.8161 -3.6277 0.0000 O 0 0 -6.7379 -3.6166 0.0000 O 0 0 -5.2091 2.9917 0.0000 O 0 0 -6.2512 3.5866 0.0000 C 0 0 -7.7738 -4.2220 0.0000 C 0 0 1 16 2 0 1 17 1 0 2 4 2 0 2 3 1 0 2 21 1 0 3 5 2 0 4 6 1 0 5 7 1 0 6 7 2 0 6 26 1 0 7 22 1 0 8 9 2 0 8 12 1 0 8 22 1 0 9 10 1 0 9 16 1 0 10 11 2 0 11 15 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 18 1 0 15 19 2 0 16 19 1 0 17 20 1 0 18 20 2 0 21 23 1 0 23 24 2 0 23 25 2 0 23 28 1 0 26 27 1 0 M END > 249992 > 51264-14-3 $$$$ SciTegic05042114222D 13 12 0 0 0 0 999 V2000 3.9000 0.7500 0.0000 N 0 0 5.2000 0.0000 0.0000 O 0 0 2.6000 0.0000 0.0000 C 0 0 2.6000 -1.2000 0.0000 O 0 0 6.5000 0.7500 0.0000 C 0 0 6.5000 1.9500 0.0000 O 0 0 3.9031 2.2508 0.0000 C 0 0 4.9431 2.8494 0.0000 O 0 0 2.8649 2.8526 0.0000 C 0 0 1.3000 0.7500 0.0000 N 0 0 7.7999 0.0000 0.0000 N 0 0 0.2606 0.1503 0.0000 C 0 0 8.8394 0.5997 0.0000 C 0 0 1 3 1 0 1 2 1 0 1 7 1 0 2 5 1 0 3 4 2 0 3 10 1 0 5 6 2 0 5 11 1 0 7 8 2 0 7 9 1 0 10 12 1 0 11 13 1 0 M END > 253272 > 81424-67-1 $$$$ SciTegic05042114222D 61 68 0 0 0 0 999 V2000 -1.6818 -0.7984 0.0000 C 0 0 -1.0155 -0.3557 0.0000 F 0 0 -2.0629 -1.7230 0.0000 F 0 0 -2.6818 -0.7984 0.0000 F 0 0 -1.6818 0.2016 0.0000 C 0 0 -2.5478 0.7016 0.0000 O 0 0 -0.8158 0.7016 0.0000 C 0 5 -2.5478 1.7016 0.0000 Eu 0 1 -0.8158 1.7015 0.0000 C 0 0 -3.4138 1.2016 0.0000 O 0 0 -0.4107 2.2032 0.0000 O 0 0 -4.6850 1.1999 0.0000 O 0 0 -1.6818 2.2015 0.0000 O 0 0 -3.8190 2.6999 0.0000 O 0 0 -1.2767 0.7033 0.0000 O 0 0 -2.5478 2.7015 0.0000 O 0 0 -0.7321 2.8986 0.0000 C 0 0 -4.2799 1.7016 0.0000 C 0 0 0.4553 1.7032 0.0000 C 0 0 -5.5510 1.6999 0.0000 C 0 0 -4.6850 3.1999 0.0000 C 0 0 -0.4107 0.2033 0.0000 C 0 0 -3.4139 3.2015 0.0000 C 0 0 -1.5611 3.4578 0.0000 C 0 0 0.1667 3.3370 0.0000 C 0 0 -4.2799 2.7016 0.0000 C 0 5 -4.3636 0.5045 0.0000 C 0 0 0.4554 0.7032 0.0000 C 0 5 1.3214 2.2032 0.0000 C 0 0 -5.5510 2.6999 0.0000 C 0 5 -6.4170 1.1999 0.0000 C 0 0 -4.6850 4.1999 0.0000 C 0 0 -0.4107 -0.7967 0.0000 C 0 0 -3.4139 4.2015 0.0000 C 0 0 -1.4914 4.4554 0.0000 C 0 0 0.2364 4.3346 0.0000 C 0 0 -3.5346 -0.0547 0.0000 C 0 0 -5.2623 0.0661 0.0000 C 0 0 1.3214 3.2032 0.0000 C 0 0 2.1874 1.7033 0.0000 C 0 0 -6.4170 0.1999 0.0000 C 0 0 -7.2831 1.6999 0.0000 C 0 0 -5.6850 4.1999 0.0000 F 0 0 -4.8792 5.1808 0.0000 F 0 0 -3.9876 3.6310 0.0000 F 0 0 0.5893 -0.7967 0.0000 F 0 0 -0.4107 -1.7967 0.0000 F 0 0 -1.1856 -1.4288 0.0000 F 0 0 -4.2468 4.7549 0.0000 F 0 0 -3.4139 5.2015 0.0000 F 0 0 -2.4139 4.2015 0.0000 F 0 0 -0.5926 4.8937 0.0000 C 0 0 -3.6043 -1.0522 0.0000 C 0 0 -5.3321 -0.9314 0.0000 C 0 0 2.1874 3.7032 0.0000 C 0 0 3.0534 2.2033 0.0000 C 0 0 -7.2831 -0.3001 0.0000 C 0 0 -8.1491 1.1999 0.0000 C 0 0 -4.5031 -1.4906 0.0000 C 0 0 3.0534 3.2032 0.0000 C 0 0 -8.1491 0.1999 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 1 0 5 1 1 0 6 5 2 0 7 5 1 0 8 6 1 0 9 7 1 0 10 8 1 0 11 8 1 0 12 8 1 0 13 8 1 0 14 8 1 0 15 8 1 0 16 8 1 0 17 9 1 0 18 10 2 0 19 11 2 0 20 12 2 0 21 14 2 0 22 15 2 0 23 16 2 0 24 17 2 0 25 17 1 0 26 18 1 0 27 18 1 0 28 19 1 0 29 19 1 0 30 20 1 0 31 20 1 0 32 21 1 0 33 22 1 0 34 23 1 0 35 24 1 0 36 25 2 0 37 27 2 0 38 27 1 0 39 29 2 0 40 29 1 0 41 31 2 0 42 31 1 0 43 32 1 0 44 32 1 0 45 32 1 0 46 33 1 0 47 33 1 0 48 33 1 0 49 34 1 0 50 34 1 0 51 34 1 0 52 35 2 0 53 37 1 0 54 38 2 0 55 39 1 0 56 40 2 0 57 41 1 0 58 42 2 0 59 53 2 0 60 55 2 0 61 57 2 0 13 9 2 0 30 21 1 0 28 22 1 0 26 23 1 0 52 36 1 0 59 54 1 0 60 56 1 0 61 58 1 0 M CHG 5 7 -1 8 3 26 -1 28 -1 30 -1 M END > 253995 > 17904-78-8 $$$$ SciTegic05042114222D 45 46 0 0 0 0 999 V2000 -2.4020 0.6400 0.0000 O 0 0 -2.4000 1.8400 0.0000 C 0 0 -3.7000 2.6000 0.0000 C 0 0 -1.0900 2.6000 0.0000 C 0 0 -3.7000 4.1100 0.0000 C 0 0 -5.0100 1.8400 0.0000 C 0 0 -1.0900 4.1100 0.0000 C 0 0 0.2000 1.8400 0.0000 N 0 0 -4.9968 4.8654 0.0000 N 0 0 -2.4000 4.8600 0.0000 C 0 0 -5.0100 0.3400 0.0000 C 0 0 1.5100 2.6000 0.0000 C 0 0 -2.4020 6.0600 0.0000 O 0 0 -6.0464 -0.2649 0.0000 C 0 0 -3.7000 -0.4000 0.0000 C 0 0 1.5120 3.8000 0.0000 O 0 0 2.8100 1.8400 0.0000 C 0 0 -3.2700 -2.0600 0.0000 C 0 0 2.8080 0.6400 0.0000 C 0 0 4.1200 2.6000 0.0000 C 0 0 -4.1920 -3.2317 0.0000 O 0 0 -1.0900 -1.9100 0.0000 C 0 0 5.4200 1.8400 0.0000 C 0 0 -5.3796 -3.0593 0.0000 C 0 0 -0.5103 -0.5223 0.0000 O 0 0 0.2000 -2.6700 0.0000 C 0 0 5.4200 0.3400 0.0000 C 0 0 0.1960 -3.8700 0.0000 C 0 0 1.5100 -1.9100 0.0000 C 0 0 4.1200 -0.4000 0.0000 C 0 0 2.8100 -2.6700 0.0000 C 0 0 2.8261 0.3603 0.0000 O 0 0 4.1200 -1.9100 0.0000 C 0 0 2.8080 -3.8700 0.0000 C 0 0 2.8346 1.5602 0.0000 C 0 0 5.4195 -2.6606 0.0000 O 0 0 5.4202 -4.1615 0.0000 C 0 0 6.7198 -4.9121 0.0000 N 0 0 4.3811 -4.7616 0.0000 O 0 0 0.1966 0.8400 0.0000 H 0 0 -4.9935 5.8654 0.0000 H 0 0 -5.8646 4.3685 0.0000 H 0 0 0.4818 -0.3971 0.0000 H 0 0 6.7203 -5.9121 0.0000 H 0 0 7.5858 -4.4120 0.0000 H 0 0 1 2 2 0 2 3 1 0 2 4 1 0 3 5 2 0 3 6 1 0 4 7 2 0 4 8 1 0 5 9 1 0 5 10 1 0 6 11 1 0 8 12 1 0 10 13 2 0 11 14 1 0 11 15 1 0 12 16 2 0 12 17 1 0 15 18 1 0 17 19 1 0 17 20 2 0 18 21 1 0 18 22 1 0 20 23 1 0 21 24 1 0 22 25 1 0 22 26 1 0 23 27 2 0 26 28 1 0 26 29 1 0 27 30 1 0 29 31 2 0 30 32 1 0 30 33 1 0 31 34 1 0 32 35 1 0 33 36 1 0 36 37 1 0 37 38 1 0 37 39 2 0 7 10 1 0 31 33 1 0 8 40 1 0 9 41 1 0 9 42 1 0 25 43 1 0 38 44 1 0 38 45 1 0 M END > 255109 > 64202-81-9 $$$$ SciTegic05042114222D 17 16 0 0 0 0 999 V2000 1.7321 1.0000 0.0000 N 0 0 0.8660 1.5000 0.0000 Pt 0 0 2.5981 1.5000 0.0000 C 0 0 0.8660 2.5000 0.0000 N 0 0 0.0000 1.0000 0.0000 Cl 0 0 1.7321 2.0000 0.0000 Cl 0 0 0.0000 2.0000 0.0000 O 0 0 0.8660 0.5000 0.0000 O 0 0 2.5981 2.5000 0.0000 C 0 0 3.4641 1.0000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -0.8660 2.5000 0.0000 C 0 0 0.0000 4.0000 0.0000 C 0 0 0.0000 0.0000 0.0000 H 0 0 -0.8660 1.5000 0.0000 H 0 0 1.7321 3.0000 0.0000 H 0 0 1.7321 0.0000 0.0000 H 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 2 1 0 6 2 1 0 7 2 1 0 8 2 1 0 9 3 1 0 10 3 1 0 11 4 1 0 12 11 1 0 13 11 1 0 8 14 1 0 7 15 1 0 4 16 1 0 1 17 1 0 M END > 256927 > 62928-11-4 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 8.0000 0.2306 0.0000 C 0 0 2.0000 0.2306 0.0000 C 0 0 7.5000 1.0966 0.0000 C 0 0 7.5000 -0.6354 0.0000 C 0 0 2.5000 1.0966 0.0000 C 0 0 2.5000 -0.6354 0.0000 C 0 0 5.8660 -2.2694 0.0000 C 0 0 5.0000 -2.7694 0.0000 C 0 0 6.5000 1.0966 0.0000 C 0 0 6.5000 -0.6354 0.0000 C 0 0 3.5000 1.0966 0.0000 C 0 0 3.5000 -0.6354 0.0000 C 0 0 5.8660 -1.2694 0.0000 C 0 0 4.1340 -2.2694 0.0000 C 0 0 4.5000 2.7694 0.0000 C 0 0 4.1910 1.8184 0.0000 C 0 0 5.8090 1.8184 0.0000 C 0 0 6.0000 0.2306 0.0000 C 0 0 4.0000 0.2306 0.0000 C 0 0 5.0000 -0.7694 0.0000 C 0 0 4.1340 -1.2694 0.0000 C 0 0 5.0000 0.2306 0.0000 C 0 0 5.5000 2.7694 0.0000 N 0 0 5.0000 1.2306 0.0000 N 0 0 3.2679 -1.7694 0.0000 Cl 0 0 1 3 2 0 1 4 1 0 2 5 2 0 2 6 1 0 3 9 1 0 4 10 2 0 5 11 1 0 6 12 2 0 7 8 2 0 7 13 1 0 8 14 1 0 9 18 2 0 10 18 1 0 11 19 2 0 12 19 1 0 13 20 2 0 14 21 2 0 15 16 2 0 15 23 1 0 16 24 1 0 17 23 2 0 17 24 1 0 18 22 1 0 19 22 1 0 20 21 1 0 20 22 1 0 21 25 1 0 22 24 1 0 M END > 257473 > 23593-75-1 $$$$ SciTegic05042114222D 40 44 0 0 1 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 -7.7988 -3.0091 0.0000 O 0 0 -5.1984 -3.0023 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 1 0 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 2 0 0 0 -6.4971 -3.7545 0.0000 C 0 0 -6.4920 -5.2546 0.0000 C 0 0 -7.7884 -6.0091 0.0000 C 0 0 -9.0952 -3.7636 0.0000 C 0 0 -9.0900 -5.2636 0.0000 C 0 0 -1.2982 3.7531 0.0000 O 0 0 -1.2965 4.9531 0.0000 C 0 0 -10.1272 -5.8672 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 1.0392 -3.6000 0.0000 O 0 0 -10.1365 -3.1672 0.0000 C 0 0 -7.7801 -7.5099 0.0000 N 0 0 -6.7380 -8.1048 0.0000 C 0 0 -8.8162 -8.1153 0.0000 C 0 0 -3.6517 -6.5744 0.0000 O 0 0 -1.2981 -6.7084 0.0000 C 0 0 -0.2586 -6.1089 0.0000 O 0 0 -1.2983 -7.9084 0.0000 C 0 0 1 20 2 0 2 5 2 0 3 23 1 0 3 26 1 0 22 4 1 6 4 23 1 0 5 6 1 0 5 9 1 0 6 15 2 0 6 7 1 0 7 8 2 0 8 14 1 0 9 16 2 0 9 10 1 0 10 11 2 0 10 32 1 0 11 12 1 0 11 17 1 0 12 13 1 0 13 18 1 0 13 37 1 6 13 38 1 0 14 19 2 0 15 19 1 0 15 20 1 0 16 20 1 0 16 21 1 0 17 21 2 0 17 22 1 0 18 22 1 0 19 28 1 0 21 31 1 0 23 24 1 0 24 25 1 0 25 27 1 0 25 34 1 0 26 27 1 0 26 33 1 0 27 30 1 0 28 29 1 0 34 35 1 0 34 36 1 0 38 39 2 0 38 40 1 0 M END > 258812 > 70095-84-0 $$$$ SciTegic05042114222D 40 45 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -15.5984 2.9796 0.0000 N 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -13.0003 1.4796 0.0000 C 0 0 -14.2993 0.7296 0.0000 C 0 0 -14.2993 -0.7704 0.0000 C 0 0 -15.5983 -1.5204 0.0000 C 0 0 -13.0004 2.9796 0.0000 C 0 0 -11.7013 3.7297 0.0000 C 0 0 -11.7014 5.2297 0.0000 C 0 0 -16.8974 -0.7705 0.0000 C 0 0 -15.5984 1.4796 0.0000 C 0 0 -14.2994 3.7296 0.0000 C 0 0 -13.0004 5.9796 0.0000 C 0 0 -16.8974 0.7295 0.0000 C 0 0 -14.2995 5.2296 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -11.6990 0.7318 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -7.8003 1.4887 0.0000 C 0 0 -9.0990 0.7364 0.0000 C 0 0 -10.4003 1.4841 0.0000 C 0 0 -13.0036 7.4805 0.0000 O 0 0 -14.0437 8.0790 0.0000 C 0 0 -1.3021 -5.2508 0.0000 O 0 0 -2.3422 -5.8494 0.0000 C 0 0 1 5 2 0 1 12 1 0 2 24 2 0 2 25 1 0 3 4 2 0 3 5 1 0 4 6 1 0 5 7 1 0 6 8 2 0 7 9 2 0 7 8 1 0 9 10 1 0 9 29 1 0 10 12 2 0 10 15 1 0 11 13 2 0 11 12 1 0 13 14 1 0 13 39 1 0 14 15 2 0 16 17 2 0 16 20 1 0 16 30 1 0 17 18 1 0 17 24 1 0 18 19 2 0 19 23 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 26 1 0 23 27 2 0 24 27 1 0 25 28 1 0 26 28 2 0 26 37 1 0 29 31 1 0 30 36 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 37 38 1 0 39 40 1 0 M END > 260610 > 67047-17-0 $$$$ SciTegic05042114222D 12 13 0 0 0 0 999 V2000 -2.3383 1.3500 0.0000 O 0 0 0.3578 -3.7096 0.0000 H 0 0 -0.3114 -2.9665 0.0000 N 0 0 -2.4133 -1.7530 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 1 9 2 0 2 3 1 0 3 10 1 0 3 7 1 0 4 10 2 0 4 8 1 0 5 6 2 0 5 7 1 0 6 11 1 0 6 12 1 0 7 8 2 0 8 9 1 0 9 12 1 0 M END > 261726 > 41729-52-6 $$$$ SciTegic05042114222D 29 32 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -4.0317 -0.7359 0.0000 N 0 0 -5.2526 1.3618 0.0000 C 0 0 -5.4992 2.5362 0.0000 O 0 0 -5.4979 -1.0529 0.0000 C 0 0 -6.2524 0.2436 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 2.6060 6.0003 0.0000 C 0 0 2.6060 7.5003 0.0000 C 0 0 1.3070 8.2503 0.0000 C 0 0 0.0079 7.5003 0.0000 C 0 0 0.0079 6.0003 0.0000 C 0 0 1.3039 3.7494 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -6.1035 -2.4260 0.0000 C 0 0 -5.3131 -3.6950 0.0000 C 0 0 -6.0200 -5.0180 0.0000 C 0 0 -7.5192 -5.0673 0.0000 C 0 0 -8.3115 -3.7936 0.0000 C 0 0 -7.6046 -2.4706 0.0000 C 0 0 1 2 1 0 1 15 1 0 2 3 2 0 2 4 1 0 3 7 1 0 4 6 2 0 5 7 1 0 5 22 1 0 6 8 1 0 7 8 2 0 8 23 1 0 9 10 1 0 9 11 1 0 9 23 2 0 10 13 2 0 11 14 1 0 11 12 2 0 13 14 1 0 13 24 1 0 16 17 2 0 16 21 1 0 16 22 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 M END > 262665 > 32884-24-5 $$$$ SciTegic05042114222D 14 15 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 3 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.1993 2.9963 0.0000 N 0 3 2.3383 -1.3500 0.0000 C 0 0 -6.2395 3.5946 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 13 1 0 2 4 1 0 3 5 2 0 4 6 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 8 10 2 0 9 11 1 0 10 12 1 0 11 12 2 0 12 14 1 0 M CHG 2 1 1 12 1 M END > 263500 > 1910-42-5 $$$$ SciTegic05042114222D 17 18 0 0 0 0 999 V2000 2.3383 1.3500 0.0000 O 0 0 2.7343 -2.9815 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 4.0971 -5.6353 0.0000 O 0 0 6.1467 -1.8742 0.0000 O 0 0 4.8054 -4.6666 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 4.1955 0.2934 0.0000 O 0 0 -2.3383 1.3500 0.0000 N 0 0 1 11 2 0 2 7 1 0 2 10 1 0 3 11 1 0 3 6 1 0 3 7 1 0 4 5 2 0 4 6 1 0 5 15 1 0 5 17 1 0 7 8 1 0 8 9 1 0 8 16 1 0 9 10 1 0 9 13 1 0 10 14 1 0 11 15 1 0 12 14 1 0 M END > 264880 > 62402-31-7 $$$$ SciTegic05042114222D 61 67 0 0 1 0 999 V2000 -4.8134 -3.3399 0.0000 O 0 0 -4.2625 -2.8899 0.0000 O 0 0 -2.6085 -0.8100 0.0000 O 0 0 -2.0574 -0.4899 0.0000 O 0 0 -0.4045 1.6200 0.0000 O 0 0 0.1474 1.8799 0.0000 O 0 0 1.0534 2.5020 0.0000 H 0 0 3.9774 1.8799 0.0000 O 0 0 3.9774 6.3109 0.0000 O 0 0 3.9774 5.2300 0.0000 C 0 0 4.9314 4.6789 0.0000 C 0 0 0.1474 5.2300 0.0000 C 0 0 1 0 0 0 -0.8075 4.6789 0.0000 C 0 0 1 0 0 0 1.1014 4.6789 0.0000 C 0 0 2.0565 5.2300 0.0000 C 0 0 3.0115 4.6789 0.0000 C 0 0 5.8615 5.2319 0.0000 C 0 0 6.8165 4.6799 0.0000 C 0 0 -0.8075 3.5769 0.0000 C 0 0 1.1014 3.5769 0.0000 C 0 0 3.0115 3.5769 0.0000 C 0 0 4.9314 3.5769 0.0000 C 0 0 6.8165 3.5779 0.0000 C 0 0 0.1474 3.0260 0.0000 C 0 0 1 0 0 0 2.0565 3.0260 0.0000 C 0 0 3.9774 3.0260 0.0000 C 0 0 5.8615 3.0269 0.0000 C 0 0 -1.5065 1.6200 0.0000 C 0 0 -2.0574 0.6649 0.0000 C 0 0 -1.5065 -0.2890 0.0000 C 0 0 -0.4045 -0.2890 0.0000 C 0 0 0.1474 0.6649 0.0000 C 0 0 -2.0574 -1.7649 0.0000 C 0 0 -2.6085 -2.7200 0.0000 C 0 0 -3.7115 -2.7200 0.0000 C 0 0 -3.7115 -0.8100 0.0000 C 0 0 -4.2625 -1.7649 0.0000 C 0 0 -4.2625 -4.2950 0.0000 C 0 0 -4.8134 -5.2500 0.0000 C 0 0 -5.9165 -5.2500 0.0000 C 0 0 -5.9165 -3.3399 0.0000 C 0 0 -6.4675 -4.2950 0.0000 C 0 0 -6.4675 -5.4209 0.0000 O 0 0 -5.9165 -6.3499 0.0000 O 0 0 -5.9165 -4.4509 0.0000 C 0 0 -3.7115 -1.9210 0.0000 C 0 0 -3.7115 -3.8109 0.0000 O 0 0 -1.8774 4.0609 0.0000 O 0 0 -1.5065 0.5079 0.0000 C 0 0 -1.5065 -1.3899 0.0000 N 0 0 -2.4677 -1.9449 0.0000 C 0 0 -0.5452 -1.9449 0.0000 C 0 0 0.1474 6.3899 0.0000 C 0 0 -0.8137 6.9449 0.0000 O 0 0 1.8674 6.3899 0.0000 O 0 0 2.4224 7.3512 0.0000 C 0 0 2.0565 1.8789 0.0000 O 0 0 5.8615 6.3099 0.0000 O 0 0 5.8615 1.8789 0.0000 O 0 0 -1.8465 5.2789 0.0000 C 0 0 -2.8078 4.7240 0.0000 C 0 0 1 38 1 0 1 41 1 0 2 37 1 0 2 38 1 0 3 33 1 0 3 36 1 0 4 29 1 0 4 33 1 0 5 28 1 0 5 32 1 0 24 6 1 0 6 32 1 0 24 7 1 6 8 26 2 0 9 10 2 0 10 11 1 0 10 16 1 0 11 22 2 0 11 17 1 0 12 13 1 0 12 14 1 0 12 53 1 6 13 19 1 0 13 48 1 1 13 60 1 0 14 15 2 0 14 20 1 0 15 16 1 0 16 21 2 0 17 18 2 0 17 58 1 0 18 23 1 0 19 24 1 0 20 25 2 0 20 24 1 0 21 25 1 0 21 26 1 0 22 26 1 0 22 27 1 0 23 27 2 0 25 57 1 0 27 59 1 0 28 29 1 0 28 49 1 0 29 30 1 0 30 31 1 0 30 50 1 0 31 32 1 0 33 34 1 0 34 35 1 0 35 37 1 0 35 47 1 0 36 37 1 0 36 46 1 0 38 39 1 0 39 40 1 0 40 42 1 0 40 44 1 0 41 42 1 0 41 45 1 0 42 43 1 0 50 51 1 0 50 52 1 0 53 54 2 0 53 55 1 0 55 56 1 0 60 61 1 0 M END > 265211 > 63710-10-1 $$$$ SciTegic05042114222D 52 58 0 0 0 0 999 V2000 -2.1904 1.8750 0.0000 C 0 0 -2.1904 2.5599 0.0000 O 0 0 -1.0034 2.5599 0.0000 O 0 0 0.1865 -0.1779 0.0000 O 0 0 0.1865 2.5530 0.0000 O 0 0 1.2035 -2.6559 0.0000 C 0 0 2.0995 -1.1040 0.0000 O 0 0 2.5475 -0.6370 0.0000 O 0 0 3.0535 1.5160 0.0000 C 0 0 -2.1584 3.2269 0.0000 C 0 0 -2.7634 2.8780 0.0000 C 0 0 -1.5974 2.9029 0.0000 C 0 0 -2.7634 2.2060 0.0000 C 0 0 -1.5974 1.5320 0.0000 C 0 0 -1.0034 1.8750 0.0000 C 0 0 -0.4074 1.5299 0.0000 C 0 0 0.1865 1.8730 0.0000 C 0 0 0.7795 1.5299 0.0000 C 0 0 1.3735 1.8730 0.0000 C 0 0 1.9675 1.5299 0.0000 C 0 0 2.4785 1.8259 0.0000 C 0 0 -1.5944 0.8449 0.0000 C 0 0 -0.4074 0.8449 0.0000 C 0 0 0.7795 0.8449 0.0000 C 0 0 1.9675 0.8449 0.0000 C 0 0 3.0835 0.8160 0.0000 C 0 0 -1.0014 0.5020 0.0000 C 0 0 0.1865 0.5020 0.0000 C 0 0 1.3735 0.5020 0.0000 C 0 0 2.5765 0.4930 0.0000 C 0 0 2.5475 -1.8799 0.0000 C 0 0 2.0995 -2.6559 0.0000 C 0 0 1.2835 -1.1040 0.0000 C 0 0 0.7555 -1.8799 0.0000 C 0 0 -3.3524 3.2179 0.0000 N 0 0 -3.9413 2.8779 0.0000 C 0 0 -3.3525 3.8980 0.0000 C 0 0 -3.3524 1.8660 0.0000 O 0 0 -2.2624 1.1949 0.0000 C 0 0 -2.1584 3.9070 0.0000 O 0 0 1.3235 -1.6470 0.0000 C 0 0 1.2735 -2.0359 0.0000 C 0 0 1.3735 -0.1779 0.0000 O 0 0 2.0995 -3.4670 0.0000 O 0 0 1.5106 -3.8069 0.0000 C 0 0 3.7935 1.9559 0.0000 C 0 0 3.8235 1.2060 0.0000 O 0 0 -1.0014 -0.1779 0.0000 O 0 0 0.7555 -0.7190 0.0000 O 0 0 0.1666 -0.3790 0.0000 C 0 0 1.2035 -3.4409 0.0000 O 0 0 0.6146 -3.7809 0.0000 C 0 0 1 2 1 0 1 13 1 0 1 14 1 0 1 39 1 0 2 12 1 0 3 12 1 0 3 15 1 0 4 28 2 0 5 17 2 0 6 32 1 0 6 34 1 0 6 42 1 0 6 51 1 0 7 31 1 0 7 33 1 0 8 30 1 0 8 31 1 0 9 21 1 0 9 26 1 0 9 46 1 0 9 47 1 0 10 11 1 0 10 12 1 0 10 40 1 0 11 13 1 0 11 35 1 0 13 38 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 23 2 0 16 17 1 0 17 18 1 0 18 24 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 25 1 0 22 27 2 0 23 27 1 0 23 28 1 0 24 28 1 0 24 29 1 0 25 29 2 0 25 30 1 0 26 30 1 0 27 48 1 0 29 43 1 0 31 32 1 0 32 44 1 0 33 34 1 0 33 41 1 0 34 49 1 0 35 36 1 0 35 37 1 0 44 45 1 0 49 50 1 0 51 52 1 0 M END > 265450 > 64267-46-5 $$$$ SciTegic05042114222D 13 14 0 0 0 0 999 V2000 3.0031 -3.1053 0.0000 Cl 0 0 1.8032 -3.1233 0.0000 Pt 0 0 1.1879 -4.1535 0.0000 Cl 0 0 2.4133 -1.7530 0.0000 N 0 0 0.3114 -2.9665 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.3577 -3.7096 0.0000 H 0 0 3.3915 -1.5450 0.0000 H 0 0 2 1 1 0 3 2 1 0 4 2 1 0 5 2 1 0 6 4 1 0 7 5 1 0 8 6 1 0 9 7 1 0 10 8 1 0 11 9 1 0 7 6 1 0 11 10 1 0 5 12 1 0 4 13 1 0 M END > 265459 > 61848-62-2 $$$$ SciTegic05042114222D 32 32 0 0 0 0 999 V2000 2.3383 1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 2.1651 -1.2500 0.0000 H 0 0 -3.4641 -1.0046 0.0000 H 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -1.7282 -3.5024 0.0000 H 0 0 -6.4854 -8.2648 0.0000 S 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -2.7000 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 -4.9336 -3.1588 0.0000 O 0 0 -3.8912 -5.2578 0.0000 N 0 0 -6.4920 -5.2655 0.0000 C 0 0 -5.1894 -6.0109 0.0000 C 0 0 -5.1872 -7.5117 0.0000 C 0 0 -7.5293 -5.8687 0.0000 O 0 0 -6.4833 -9.7657 0.0000 C 0 0 -7.7815 -10.5188 0.0000 C 0 0 -7.7793 -12.0196 0.0000 C 0 0 -9.0775 -12.7727 0.0000 C 0 0 -9.0754 -14.2735 0.0000 C 0 0 -10.3736 -15.0266 0.0000 C 0 0 -10.3715 -16.5274 0.0000 C 0 0 -11.6697 -17.2805 0.0000 C 0 0 -11.6675 -18.7813 0.0000 C 0 0 -12.7055 -19.3835 0.0000 C 0 0 1 13 2 0 2 10 2 0 3 13 1 0 3 12 1 0 3 4 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 7 16 1 0 9 21 1 0 9 23 1 0 10 11 1 0 10 14 1 0 11 12 2 0 12 15 1 0 13 14 1 0 16 17 2 0 16 18 1 0 18 20 1 0 19 20 1 0 19 22 1 0 20 21 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 M END > 265473 > 61786-74-1 $$$$ SciTegic05042114222D 23 26 0 0 1 0 999 V2000 -4.9363 -1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -1.7500 0.0000 H 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -6.2354 0.9000 0.0000 O 0 0 -2.5981 -1.5000 0.0000 N 0 0 2.3383 1.3500 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 -4.2086 5.2165 0.0000 O 0 0 -5.7004 5.3732 0.0000 C 0 0 -6.3105 4.0029 0.0000 O 0 0 1 15 2 0 2 5 1 0 2 3 1 0 2 19 1 1 3 11 1 0 3 20 1 1 11 4 1 1 5 6 1 0 5 18 1 6 6 7 2 0 7 8 1 0 7 11 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 12 1 0 10 21 1 0 11 17 1 0 12 14 2 0 12 23 1 0 13 14 1 0 13 15 1 0 14 16 1 0 15 17 1 0 21 22 1 0 22 23 1 0 M END > 266535 > 29477-83-6 $$$$ SciTegic05042114222D 23 26 0 0 1 0 999 V2000 -2.4200 0.1300 0.0000 C 0 0 -2.7600 -1.0800 0.0000 C 0 0 -1.8700 -1.9800 0.0000 C 0 0 -0.6400 -1.6600 0.0000 C 0 0 -0.3000 -0.4400 0.0000 C 0 0 -1.1900 0.4600 0.0000 C 0 0 -3.9218 -1.3803 0.0000 C 0 0 -0.1270 0.7475 0.0000 C 0 0 0.9400 0.2400 0.0000 C 0 0 1 0 0 0 1.2300 1.7000 0.0000 C 0 0 2 0 0 0 1.7900 -1.1100 0.0000 C 0 0 1 0 0 0 0.5900 -1.8400 0.0000 O 0 0 3.1500 -1.7300 0.0000 C 0 0 2.5000 -0.3100 0.0000 C 0 0 2 0 0 0 0.4200 3.1100 0.0000 C 0 0 2.0400 3.1100 0.0000 O 0 0 1.0375 -0.9560 0.0000 C 0 0 -0.5854 -2.6585 0.0000 H 0 0 1.8494 -2.1082 0.0000 H 0 0 3.5341 0.7810 0.0000 O 0 0 3.1085 2.2202 0.0000 C 0 0 3.9343 3.0908 0.0000 O 0 0 1.9417 2.5005 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 2 0 2 7 1 0 3 4 1 0 4 5 1 0 4 12 1 0 18 4 1 0 5 6 1 0 8 5 1 0 5 9 1 0 9 10 1 0 14 9 1 0 9 17 1 6 10 11 1 0 10 15 1 1 16 10 1 0 11 12 1 0 13 11 1 0 11 19 1 1 13 14 1 0 14 20 1 1 15 16 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > 267033 > 4682-50-2 $$$$ SciTegic05042114222D 17 17 0 0 0 0 999 V2000 1.2993 -5.2529 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.0432 3.5993 0.0000 C 0 0 0.0000 -3.0008 0.0000 S 0 0 -1.0394 -3.6005 0.0000 O 0 0 -0.0006 -4.2008 0.0000 O 0 0 1.2993 -3.7521 0.0000 N 0 0 2.5986 -6.0041 0.0000 C 0 0 2.5986 -7.5049 0.0000 C 0 0 3.6374 -8.1056 0.0000 O 0 0 1.5592 -8.1046 0.0000 O 0 0 1 13 1 0 1 14 2 0 2 3 2 0 2 4 1 0 3 5 1 0 4 6 2 0 4 10 1 0 5 7 2 0 5 8 1 0 6 7 1 0 8 9 1 0 10 11 2 0 10 12 2 0 10 13 1 0 14 15 1 0 15 16 2 0 15 17 1 0 M END > 267213 > 75968-21-7 $$$$ SciTegic05042114222D 42 46 0 0 1 0 999 V2000 4.9363 3.1500 0.0000 O 0 0 0.2598 5.8500 0.0000 O 0 0 -5.2007 1.4909 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -2.6003 1.4977 0.0000 O 0 0 5.1961 6.0000 0.0000 C 0 0 5.1961 7.5000 0.0000 C 0 0 3.8971 5.2500 0.0000 C 0 0 3.8971 3.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 3.8971 8.2500 0.0000 C 0 0 2.5980 6.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.5980 7.5000 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 6.2353 5.4001 0.0000 O 0 0 1.5588 8.1000 0.0000 O 0 0 -7.5291 -1.3672 0.0000 O 0 0 -1.0393 3.6000 0.0000 O 0 0 -7.5385 1.3328 0.0000 C 0 0 -5.1821 -3.0099 0.0000 N 0 0 -4.1399 -3.6048 0.0000 C 0 0 -6.2181 -3.6153 0.0000 C 0 0 2.6003 -1.4977 0.0000 C 0 0 2.6024 -2.6977 0.0000 O 0 0 3.8990 -0.7455 0.0000 O 0 0 4.9395 -1.3433 0.0000 C 0 0 1.0536 -2.0744 0.0000 O 0 0 -1.2999 -2.2084 0.0000 C 0 0 -2.3394 -1.6089 0.0000 C 0 0 1 9 2 0 2 20 2 0 3 23 1 0 3 26 1 0 4 12 1 0 4 13 1 0 4 36 1 1 22 5 1 6 5 23 1 0 6 7 2 0 6 8 1 0 6 28 1 0 7 14 1 0 8 15 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 17 2 0 13 18 1 0 13 40 1 6 13 41 1 0 14 19 2 0 15 19 1 0 15 20 1 0 16 21 2 0 16 20 1 0 17 21 1 0 17 22 1 0 18 22 1 0 19 29 1 0 21 31 1 0 23 24 1 0 24 25 1 0 25 27 1 0 25 33 1 0 26 27 1 0 26 32 1 0 27 30 1 0 33 34 1 0 33 35 1 0 36 37 2 0 36 38 1 0 38 39 1 0 41 42 1 0 M END > 267229 > 668-17-7 $$$$ SciTegic05042114222D 30 32 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 N 0 0 -1.3040 3.5228 0.0000 O 0 0 -3.7533 -0.1515 0.0000 O 0 0 -5.1138 -3.4427 0.0000 Cl 0 0 -3.8331 -5.8197 0.0000 Cl 0 0 0.0000 1.2760 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 2.7115 0.3950 0.0000 C 0 0 3.1750 -1.0316 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 1.9615 -1.9133 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.6321 -2.2464 0.0000 C 0 0 -3.1265 -2.2016 0.0000 C 0 0 -3.9143 -3.4780 0.0000 C 0 0 -0.9156 -3.5662 0.0000 C 0 0 -3.2028 -4.7985 0.0000 C 0 0 -1.7035 -4.8426 0.0000 C 0 0 -0.0031 2.7742 0.0000 C 0 0 -1.3071 5.0236 0.0000 C 0 0 -0.2689 5.6254 0.0000 O 0 0 -2.6394 0.8543 0.0000 C 0 0 -2.6079 5.7721 0.0000 N 0 0 -2.6111 7.2729 0.0000 C 0 0 -3.6511 7.8714 0.0000 C 0 0 -5.1816 0.3093 0.0000 C 0 0 -5.4332 1.4826 0.0000 O 0 0 -6.2955 -0.6966 0.0000 N 0 0 -7.7238 -0.2358 0.0000 C 0 0 -8.6144 -1.0400 0.0000 C 0 0 1 7 1 0 1 11 1 0 1 12 1 0 2 19 1 0 2 20 1 0 3 22 1 0 3 26 1 0 4 15 1 0 5 17 1 0 6 7 2 0 6 10 1 0 6 19 1 0 7 8 1 0 8 9 1 0 9 11 1 0 10 12 2 0 10 22 1 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 15 17 2 0 16 18 2 0 17 18 1 0 20 21 2 0 20 23 1 0 23 24 1 0 24 25 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 M END > 267700 > 62523-06-2 $$$$ SciTegic05042114222D 33 38 0 0 0 0 999 V2000 -8.6718 -6.0547 0.0000 C 0 0 -6.3351 -5.8747 0.0000 O 0 0 -7.3818 -5.2877 0.0000 C 0 0 -7.4000 -3.7870 0.0000 O 0 0 -6.1600 -1.4700 0.0000 C 0 0 -6.1100 -3.0200 0.0000 C 0 0 -4.7900 -0.6500 0.0000 C 0 0 -4.7600 -3.8100 0.0000 C 0 0 -3.4400 -1.4500 0.0000 C 0 0 -3.4200 -2.9800 0.0000 C 0 0 -2.1000 -0.6500 0.0000 C 0 0 -2.0400 0.8500 0.0000 C 0 0 -2.1000 -3.7900 0.0000 C 0 0 -0.7700 -1.4300 0.0000 C 0 0 -0.7500 -2.9800 0.0000 C 0 0 -0.7700 1.5700 0.0000 C 0 0 0.4900 0.8100 0.0000 C 0 0 0.5200 -0.6300 0.0000 C 0 0 4.2022 4.6063 0.0000 C 0 0 3.8539 3.1473 0.0000 C 0 0 0.8300 -2.1400 0.0000 O 0 0 1.9700 1.2900 0.0000 C 0 0 3.1129 5.6375 0.0000 C 0 0 3.3915 6.8047 0.0000 O 0 0 2.4204 2.7216 0.0000 C 0 0 1.6752 5.2097 0.0000 O 0 0 1.9300 -1.1700 0.0000 C 0 0 2.8700 0.1000 0.0000 C 0 0 1.3268 3.7507 0.0000 C 0 0 -9.7184 -5.4677 0.0000 C 0 0 -8.6573 -7.2546 0.0000 C 0 0 -3.4420 -0.2500 0.0000 C 0 0 0.6272 2.0021 0.0000 C 0 0 1 3 1 0 1 30 1 0 1 31 2 0 2 3 2 0 3 4 1 0 4 6 1 0 5 7 1 0 5 6 1 0 6 8 1 0 7 9 1 0 8 10 1 0 9 11 1 0 9 10 1 0 9 32 1 0 10 13 1 0 11 12 1 0 11 14 1 0 12 16 1 0 13 15 1 0 14 18 1 0 14 15 1 0 16 17 1 0 17 22 1 0 17 18 1 0 17 33 1 0 18 27 1 0 18 21 1 0 19 23 1 0 19 20 2 0 20 25 1 0 21 27 1 0 22 25 1 0 22 28 1 0 23 24 2 0 23 26 1 0 25 29 2 0 26 29 1 0 27 28 1 0 M END > 267712 $$$$ SciTegic05042114222D 52 58 0 0 0 0 999 V2000 -2.5981 1.5000 0.0000 O 0 0 2.5981 -1.5000 0.0000 O 0 0 2.6130 10.4936 0.0000 N 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 2 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 1.3045 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 -5.1973 -1.5041 0.0000 C 0 0 0.0185 12.0040 0.0000 O 0 0 -1.2991 3.7500 0.0000 O 0 0 3.8971 0.7500 0.0000 O 0 0 -2.5848 10.5130 0.0000 C 0 0 3.9089 9.7366 0.0000 C 0 0 2.6197 11.9945 0.0000 C 0 0 3.9022 8.2358 0.0000 C 0 0 5.1963 7.4772 0.0000 C 0 0 5.1865 5.9773 0.0000 C 0 0 3.8826 5.2358 0.0000 C 0 0 2.5885 5.9942 0.0000 C 0 0 2.5983 7.4942 0.0000 C 0 0 1.3238 12.7515 0.0000 C 0 0 1.3284 14.2515 0.0000 C 0 0 0.0316 15.0055 0.0000 C 0 0 -1.2697 14.2595 0.0000 C 0 0 -1.2743 12.7595 0.0000 C 0 0 0.0224 12.0055 0.0000 C 0 0 5.1606 4.4785 0.0000 C 0 0 5.1612 2.9785 0.0000 O 0 0 6.4595 5.2286 0.0000 C 0 0 3.8603 6.7496 0.0000 O 0 0 1 21 2 0 2 6 2 0 3 26 1 0 3 35 1 0 3 36 1 0 4 24 1 0 4 27 1 0 23 5 1 1 5 24 1 0 6 7 1 0 6 10 1 0 7 11 2 0 7 17 1 0 8 9 2 0 8 10 1 0 9 15 1 0 10 16 2 0 11 12 1 0 11 33 1 0 12 18 2 0 12 13 1 0 13 14 1 0 14 19 1 0 14 49 1 0 14 52 1 1 15 20 2 0 16 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 20 29 1 0 22 32 1 0 24 25 1 0 25 26 1 0 26 28 1 0 27 28 1 0 27 34 1 0 28 31 1 0 29 30 1 0 35 37 1 0 36 43 1 0 37 38 2 0 37 42 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 43 44 2 0 43 48 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 49 50 2 0 49 51 1 0 M END > 268242 > 70878-51-2 $$$$ SciTegic05042114222D 41 43 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 3.8939 -0.7546 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 6.4920 -0.7635 0.0000 C 0 0 5.1904 -1.5090 0.0000 C 0 0 6.4971 0.7365 0.0000 C 0 0 5.2007 1.4910 0.0000 C 0 0 3.8990 0.7455 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 29.8918 -0.8034 0.0000 C 0 0 28.5905 -1.5512 0.0000 C 0 0 27.2918 -0.7990 0.0000 C 0 0 25.9905 -1.5468 0.0000 C 0 0 24.6918 -0.7946 0.0000 C 0 0 23.3906 -1.5424 0.0000 C 0 0 22.0918 -0.7901 0.0000 C 0 0 20.7906 -1.5379 0.0000 C 0 0 19.4919 -0.7857 0.0000 C 0 0 18.1906 -1.5335 0.0000 C 0 0 16.8919 -0.7813 0.0000 C 0 0 15.5906 -1.5290 0.0000 C 0 0 14.2919 -0.7768 0.0000 C 0 0 12.9906 -1.5246 0.0000 C 0 0 12.9886 -2.7246 0.0000 O 0 0 10.3907 -1.5202 0.0000 C 0 0 9.0920 -0.7680 0.0000 C 0 0 9.0940 0.4320 0.0000 O 0 0 2.6003 1.4978 0.0000 N 0 0 5.1862 -2.7090 0.0000 C 0 0 7.5384 1.3329 0.0000 O 0 0 11.6919 -0.7724 0.0000 N 0 0 7.7907 -1.5157 0.0000 N 0 0 30.9302 -1.4049 0.0000 C 0 0 29.8938 0.3966 0.0000 C 0 0 -2.4133 1.7530 0.0000 N 0 0 -1.8032 3.1233 0.0000 C 0 0 -0.3115 2.9665 0.0000 N 0 0 5.2049 2.6909 0.0000 O 0 0 1 9 2 0 1 12 1 0 2 5 1 0 2 8 1 0 3 12 2 0 3 11 1 0 4 5 1 0 4 6 1 0 4 35 1 0 5 32 1 0 6 7 1 0 6 33 1 0 7 8 1 0 7 41 1 0 8 31 1 0 9 10 1 0 9 31 1 0 10 11 2 0 10 40 1 0 11 38 1 0 13 14 1 0 13 36 1 0 13 37 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 34 1 0 28 29 1 0 28 34 1 0 29 30 2 0 29 35 1 0 38 39 2 0 39 40 1 0 M END > 268251 > 67642-36-8 $$$$ SciTegic05042114222D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 3 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 -1.2991 4.9500 0.0000 N 0 0 2.6003 -1.4977 0.0000 C 0 0 3.6387 -0.8963 0.0000 C 0 0 -1.2990 -4.9500 0.0000 N 0 0 1 14 2 0 1 10 1 0 1 22 1 0 2 3 2 0 2 4 1 0 3 5 1 0 4 6 2 0 4 24 1 0 5 10 2 0 5 7 1 0 6 10 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 11 1 0 11 13 2 0 11 21 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 17 2 0 15 16 1 0 16 18 2 0 17 19 1 0 18 20 1 0 19 20 2 0 22 23 1 0 M CHG 1 1 1 M END > 268986 > 1239-45-8 $$$$ SciTegic05042114222D 22 25 0 0 1 0 999 V2000 -0.6400 -1.6600 0.0000 C 0 0 2 0 0 0 -0.3000 -0.4400 0.0000 C 0 0 1 0 0 0 -0.5854 -2.6585 0.0000 H 0 0 0.9400 0.2400 0.0000 C 0 0 1 0 0 0 0.5900 -1.8400 0.0000 O 0 0 0.4200 3.1100 0.0000 O 0 0 2.0400 3.1100 0.0000 C 0 0 1.8494 -2.1082 0.0000 H 0 0 2.5000 -0.3100 0.0000 C 0 0 1 0 0 0 -1.8700 -1.9800 0.0000 C 0 0 -2.7600 -1.0800 0.0000 C 0 0 -2.4200 0.1300 0.0000 C 0 0 -1.1900 0.4600 0.0000 C 0 0 1.2300 1.7000 0.0000 C 0 0 1 0 0 0 1.7900 -1.1100 0.0000 C 0 0 1 0 0 0 3.1500 -1.7300 0.0000 C 0 0 2 0 0 0 -3.9218 -1.3803 0.0000 C 0 0 0.6283 -2.5892 0.0000 O 0 0 0.8435 -1.4086 0.0000 C 0 0 1.0375 -0.9560 0.0000 C 0 0 3.3094 0.5760 0.0000 O 0 0 3.9992 -2.5779 0.0000 O 0 0 1 3 1 1 1 10 1 0 1 5 1 0 1 2 1 0 2 13 1 0 2 4 1 0 2 19 1 1 4 14 1 0 4 9 1 0 4 20 1 1 5 15 1 0 14 6 1 6 6 7 1 0 14 7 1 0 15 8 1 6 9 16 1 0 9 21 1 6 10 11 2 0 11 12 1 0 11 17 1 0 12 13 1 0 14 15 1 0 15 16 1 0 16 22 1 1 18 19 1 0 M END > 269142 > 2270-41-9 $$$$ SciTegic05042114222D 80 87 0 0 1 0 999 V2000 -6.8090 3.8919 0.0000 O 0 0 -6.0320 6.5519 0.0000 O 0 0 -4.4750 7.6909 0.0000 O 0 0 -3.6970 7.4809 0.0000 O 0 0 0.0409 -5.4099 0.0000 O 0 0 0.8229 -2.5599 0.0000 O 0 0 2.3749 -1.4140 0.0000 O 0 0 3.1509 1.5959 0.0000 O 0 0 3.2819 4.6829 0.0000 O 0 0 4.2329 7.4829 0.0000 C 0 0 2 0 0 0 4.1749 8.5900 0.0000 H 0 0 4.6989 2.6379 0.0000 O 0 0 5.1749 6.9389 0.0000 H 0 0 5.1629 8.0199 0.0000 C 0 0 1 0 0 0 5.4729 4.2379 0.0000 O 0 0 6.0919 7.4829 0.0000 C 0 0 6.0919 6.3429 0.0000 O 0 0 7.0809 8.0539 0.0000 C 0 0 2 0 0 0 7.0809 9.1339 0.0000 H 0 0 7.4189 6.5510 0.0000 H 0 0 7.9849 7.5319 0.0000 C 0 0 2 0 0 0 -6.0320 7.6909 0.0000 C 0 0 -6.8100 6.3429 0.0000 C 0 0 -6.0320 4.9949 0.0000 C 0 0 -4.4750 4.9949 0.0000 C 0 0 -3.6970 6.3429 0.0000 C 0 0 -0.5270 8.0329 0.0000 C 0 0 -1.4830 7.4809 0.0000 C 0 0 0.4289 7.4809 0.0000 C 0 0 1.4089 8.0349 0.0000 C 0 0 2.3309 7.4829 0.0000 C 0 0 3.2819 8.0319 0.0000 C 0 0 -1.4830 6.3779 0.0000 C 0 0 0.4289 6.3779 0.0000 C 0 0 2.3309 6.3849 0.0000 C 0 0 4.2329 6.3849 0.0000 C 0 0 2 0 0 0 -0.5270 5.8259 0.0000 C 0 0 1.4089 5.8279 0.0000 C 0 0 3.2819 5.8359 0.0000 C 0 0 -8.3630 3.8919 0.0000 C 0 0 -9.1400 2.5459 0.0000 C 0 0 -8.3630 1.1999 0.0000 C 0 0 -6.8090 1.1999 0.0000 C 0 0 -6.0320 2.5459 0.0000 C 0 0 5.4729 1.2970 0.0000 C 0 0 4.6989 -0.0430 0.0000 C 0 0 3.1509 -0.0430 0.0000 C 0 0 3.1509 2.6379 0.0000 C 0 0 2.3769 1.2970 0.0000 C 0 0 3.1509 -2.7580 0.0000 C 0 0 2.3749 -4.1020 0.0000 C 0 0 0.8229 -4.1020 0.0000 C 0 0 0.8229 -1.4140 0.0000 C 0 0 0.0469 -2.7580 0.0000 C 0 0 0.8229 -6.7630 0.0000 C 0 0 0.0409 -8.1170 0.0000 C 0 0 -1.5220 -8.1170 0.0000 C 0 0 -1.5220 -5.4099 0.0000 C 0 0 -2.3030 -6.7630 0.0000 C 0 0 -9.1400 1.4109 0.0000 O 0 0 -8.3630 4.9419 0.0000 C 0 0 -8.3630 2.2820 0.0000 O 0 0 -6.8100 7.4339 0.0000 O 0 0 -6.0320 8.7509 0.0000 C 0 0 -2.5190 5.6299 0.0000 C 0 0 -2.3030 -7.8720 0.0000 O 0 0 -3.6453 -8.6470 0.0000 C 0 0 -1.5220 -4.3499 0.0000 C 0 0 -1.5220 -9.1799 0.0000 O 0 0 -0.5270 4.6820 0.0000 O 0 0 0.0469 -3.8659 0.0000 O 0 0 0.8229 -0.3340 0.0000 C 0 0 1.4089 4.6829 0.0000 O 0 0 2.3769 0.1779 0.0000 O 0 0 3.1509 3.7179 0.0000 C 0 0 5.1629 9.1499 0.0000 O 0 0 3.8206 9.9250 0.0000 C 0 0 8.0079 8.5889 0.0000 O 0 0 8.9509 6.9739 0.0000 O 0 0 8.9499 8.0889 0.0000 C 0 0 1 40 1 0 1 44 1 0 2 24 1 0 2 44 1 0 3 22 1 0 3 26 1 0 4 26 1 0 4 28 1 0 5 55 1 0 5 58 1 0 6 52 1 0 6 55 1 0 7 50 1 0 7 53 1 0 8 47 1 0 8 50 1 0 9 39 2 0 10 13 1 6 10 32 1 0 10 14 1 0 10 36 1 0 14 11 1 1 12 45 1 0 12 48 1 0 14 16 1 0 14 76 1 0 36 15 1 6 15 45 1 0 16 18 1 0 16 17 2 0 18 19 1 6 18 21 1 0 18 78 1 0 21 20 1 6 21 79 1 0 21 80 1 0 22 23 1 0 22 64 1 0 23 24 1 0 23 63 1 0 24 25 1 0 25 26 1 0 27 28 2 0 27 29 1 0 28 33 1 0 29 34 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 35 1 0 33 37 2 0 33 65 1 0 34 37 1 0 34 38 1 0 35 38 2 0 35 39 1 0 36 39 1 0 37 70 1 0 38 73 1 0 40 41 1 0 40 61 1 0 41 42 1 0 41 60 1 0 42 43 1 0 42 62 1 0 43 44 1 0 45 46 1 0 46 47 1 0 47 49 1 0 48 49 1 0 48 75 1 0 49 74 1 0 50 51 1 0 51 52 1 0 52 54 1 0 53 54 1 0 53 72 1 0 54 71 1 0 55 56 1 0 56 57 1 0 57 59 1 0 57 69 1 0 58 59 1 0 58 68 1 0 59 66 1 0 66 67 1 0 76 77 1 0 M END > 269146 > 12677-11-1 $$$$ SciTegic05042114222D 40 45 0 0 1 0 999 V2000 7.7000 4.3800 0.0000 C 0 0 1 0 0 0 6.1100 1.9700 0.0000 C 0 0 1 0 0 0 6.1500 3.5900 0.0000 O 0 0 4.4820 5.2241 0.0000 H 0 0 3.5400 3.6500 0.0000 O 0 0 0.6928 -1.9091 0.0000 O 0 0 0.9419 3.4384 0.0000 O 0 0 6.4700 5.1200 0.0000 C 0 0 1 0 0 0 4.9300 4.3300 0.0000 C 0 0 1 0 0 0 7.6700 2.8400 0.0000 C 0 0 2 0 0 0 4.7900 1.2600 0.0000 C 0 0 3.5200 2.1000 0.0000 C 0 0 2.1500 1.4000 0.0000 C 0 0 0.8800 2.2400 0.0000 C 0 0 -0.4800 1.5300 0.0000 C 0 0 -1.7600 2.3700 0.0000 C 0 0 -3.1300 1.6700 0.0000 C 0 0 -4.4100 2.4600 0.0000 C 0 0 -5.7600 1.8100 0.0000 C 0 0 1 0 0 0 4.7000 -0.2400 0.0000 C 0 0 2.0400 -0.1000 0.0000 C 0 0 -0.5600 0.0300 0.0000 C 0 0 -3.2100 0.1600 0.0000 C 0 0 -5.8600 0.3000 0.0000 C 0 0 3.3800 -0.8500 0.0000 C 0 0 0.7400 -0.7100 0.0000 C 0 0 -1.8900 -0.5600 0.0000 C 0 0 -4.5400 -0.4900 0.0000 C 0 0 2 0 0 0 8.9981 5.1335 0.0000 N 0 0 8.9956 6.3335 0.0000 C 0 0 10.0388 4.5360 0.0000 C 0 0 8.6988 2.2222 0.0000 O 0 0 5.5335 3.0225 0.0000 C 0 0 6.5106 6.3193 0.0000 O 0 0 3.3336 -2.0491 0.0000 O 0 0 -1.9391 -1.7590 0.0000 O 0 0 -4.5839 -1.9908 0.0000 O 0 0 -3.5629 -2.6213 0.0000 C 0 0 -6.8264 1.2598 0.0000 C 0 0 -5.6478 3.0047 0.0000 O 0 0 1 8 1 0 1 10 1 0 1 29 1 6 2 10 1 0 2 3 1 0 2 11 1 0 2 33 1 6 9 3 1 0 9 4 1 6 5 9 1 0 5 12 1 0 6 26 2 0 7 14 2 0 8 9 1 0 8 34 1 1 10 32 1 1 11 12 2 0 11 20 1 0 12 13 1 0 13 21 2 0 13 14 1 0 14 15 1 0 15 22 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 23 1 0 18 19 1 0 19 24 1 0 19 39 1 1 19 40 1 0 20 25 2 0 21 25 1 0 21 26 1 0 22 26 1 0 22 27 1 0 23 27 2 0 23 28 1 0 24 28 1 0 25 35 1 0 27 36 1 0 28 37 1 1 29 30 1 0 29 31 1 0 37 38 1 0 M END > 269148 > 71628-96-1 $$$$ SciTegic05042114222D 42 46 0 0 0 0 999 V2000 -0.4138 1.3188 0.0000 C 0 0 -1.5700 1.6400 0.0000 C 0 0 -1.3800 0.4200 0.0000 C 0 0 -3.3500 1.3800 0.0000 C 0 0 -0.1900 3.2900 0.0000 C 0 0 -2.4800 2.9400 0.0000 C 0 0 -1.2800 -1.1200 0.0000 C 0 0 -0.3800 -0.4700 0.0000 O 0 0 -4.2200 2.4500 0.0000 C 0 0 -4.0100 0.0100 0.0000 C 0 0 -2.4300 -0.1200 0.0000 C 0 0 -0.8600 4.4000 0.0000 C 0 0 1.1800 3.3900 0.0000 O 0 0 -3.4900 3.3100 0.0000 O 0 0 -5.5900 2.4800 0.0000 C 0 0 -5.5400 0.0000 0.0000 C 0 0 -3.0500 -1.4900 0.0000 O 0 0 1.9700 2.2900 0.0000 C 0 0 -6.2600 1.3300 0.0000 C 0 0 -6.3048 -1.2906 0.0000 O 0 0 -2.3100 -2.7300 0.0000 C 0 0 1.7230 1.1157 0.0000 O 0 0 3.0200 2.9100 0.0000 C 0 0 -7.4599 1.3488 0.0000 C 0 0 -3.1009 -3.6325 0.0000 O 0 0 -0.7300 -3.4100 0.0000 C 0 0 4.2400 2.3500 0.0000 C 0 0 0.7200 -3.3900 0.0000 C 0 0 5.2844 3.1293 0.0000 C 0 0 1.1145 -4.5233 0.0000 C 0 0 1.8500 -2.5200 0.0000 C 0 0 5.6800 0.4400 0.0000 C 0 0 1.5659 -1.0458 0.0000 O 0 0 3.3600 -3.0500 0.0000 C 0 0 6.0898 -0.8882 0.0000 C 0 0 4.5800 -2.2300 0.0000 O 0 0 7.1151 -1.3706 0.0000 C 0 0 7.9803 -0.5390 0.0000 C 0 0 7.4752 -2.8275 0.0000 O 0 0 -5.8154 -2.1626 0.0000 H 0 0 2.3208 -0.3899 0.0000 H 0 0 8.4357 -3.1058 0.0000 H 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 9 15 1 0 10 16 1 0 11 17 1 0 13 18 1 0 15 19 2 0 16 20 1 0 17 21 1 0 18 22 2 0 18 23 1 0 19 24 1 0 21 25 2 0 21 26 1 0 23 27 2 0 26 28 1 0 27 29 1 0 28 30 1 0 28 31 1 0 29 32 2 0 31 33 1 0 31 34 1 0 32 35 1 0 34 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 6 12 1 0 7 8 1 0 9 14 1 0 16 19 1 0 35 36 1 0 20 40 1 0 33 41 1 0 39 42 1 0 M END > 269754 $$$$ SciTegic05042114222D 33 36 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -7.7691 15.0196 0.0000 N 0 0 -10.3671 15.0286 0.0000 C 0 0 -11.6687 14.2830 0.0000 C 0 0 -9.0707 14.2741 0.0000 C 0 0 -11.6739 12.7831 0.0000 C 0 0 -9.0759 12.7741 0.0000 C 0 0 -10.3775 12.0286 0.0000 C 0 0 -7.7794 12.0195 0.0000 C 0 0 -6.4778 12.7651 0.0000 C 0 0 -6.4726 14.2651 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -12.7059 14.8866 0.0000 N 0 0 -1.2990 -4.9500 0.0000 N 0 0 -2.5973 1.5031 0.0000 N 0 0 -7.7816 10.5187 0.0000 N 0 0 -6.4834 9.7656 0.0000 C 0 0 -5.1873 7.5117 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -6.4855 8.2648 0.0000 C 0 0 -5.4313 14.8615 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 1 19 2 0 1 18 1 0 2 11 2 0 2 5 1 0 3 4 2 0 3 5 1 0 4 6 1 0 4 21 1 0 5 7 2 0 6 8 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 24 1 0 10 11 1 0 11 32 1 0 12 16 2 0 12 13 1 0 12 23 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 17 1 0 16 19 1 0 17 20 2 0 17 22 1 0 18 20 1 0 19 33 1 0 23 28 1 0 24 25 1 0 25 31 1 0 26 29 1 0 26 31 1 0 27 29 1 0 27 30 1 0 28 30 1 0 M END > 273829 > 75919-74-3 $$$$ SciTegic05042114222D 49 56 0 0 0 0 999 V2000 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 -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 -3.8971 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -5.1992 -3.0009 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -3.8963 3.7531 0.0000 O 0 0 -5.1993 3.0008 0.0000 O 0 0 -1.2960 5.2508 0.0000 O 0 0 -9.1146 -8.2435 0.0000 O 0 0 -11.7201 -9.7323 0.0000 O 0 0 -5.2097 -6.0070 0.0000 O 0 0 -11.7118 -8.2315 0.0000 C 0 0 -10.4102 -7.4860 0.0000 C 0 0 -7.8069 -5.9949 0.0000 C 0 0 -6.5053 -5.2494 0.0000 C 0 0 -13.0083 -7.4770 0.0000 C 0 0 -9.1034 -5.2405 0.0000 C 0 0 -10.4050 -5.9860 0.0000 C 0 0 -6.5000 -3.7494 0.0000 C 0 0 -9.0982 -3.7405 0.0000 C 0 0 -13.0031 -5.9770 0.0000 C 0 0 -7.7966 -2.9950 0.0000 C 0 0 -11.7014 -5.2315 0.0000 C 0 0 -11.6963 -3.7315 0.0000 C 0 0 -10.3946 -2.9860 0.0000 C 0 0 -14.2995 -5.2225 0.0000 C 0 0 -14.2943 -3.7225 0.0000 C 0 0 -12.9927 -2.9770 0.0000 N 0 0 0.0000 -2.7000 0.0000 C 0 0 -0.2559 5.8494 0.0000 C 0 0 -6.2393 3.5993 0.0000 C 0 0 -3.8946 4.9531 0.0000 C 0 0 -9.1205 -9.4435 0.0000 C 0 0 -12.7622 -10.3272 0.0000 C 0 0 -5.2156 -7.2070 0.0000 C 0 0 -12.9885 -1.7770 0.0000 C 0 0 1 3 1 0 1 2 1 0 2 4 1 0 2 42 1 0 3 7 1 0 4 6 1 0 4 5 1 0 5 8 1 0 6 7 2 0 6 12 1 0 7 11 1 0 8 13 1 0 8 9 2 0 9 14 1 0 9 10 1 0 10 32 1 0 11 16 2 0 12 15 2 0 12 13 1 0 13 17 2 0 14 18 2 0 15 16 1 0 15 19 1 0 16 21 1 0 17 20 1 0 17 18 1 0 19 45 1 0 20 44 1 0 21 43 1 0 22 26 1 0 22 46 1 0 23 25 1 0 23 47 1 0 24 28 1 0 24 48 1 0 25 29 1 0 25 26 2 0 26 31 1 0 27 30 1 0 27 28 2 0 28 32 1 0 29 34 2 0 30 31 1 0 30 33 2 0 31 36 2 0 32 35 2 0 33 38 1 0 33 35 1 0 34 39 1 0 34 36 1 0 36 37 1 0 37 41 1 0 37 38 1 0 39 40 1 0 40 41 1 0 41 49 1 0 M END > 274893 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 276299 $$$$ SciTegic05042114222D 16 15 0 0 1 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 2 0 0 0 1.3000 1.7500 0.0000 H 0 0 0.2606 0.1503 0.0000 N 0 0 2.3391 1.3502 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 2.6000 -1.2000 0.0000 O 0 0 6.5000 0.7500 0.0000 C 0 0 6.5000 1.9500 0.0000 O 0 0 3.9000 0.7500 0.0000 N 0 0 7.7999 0.0000 0.0000 C 0 0 5.1969 -1.5008 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 10.1394 0.1503 0.0000 O 0 0 5.2000 0.0000 0.0000 C 0 0 7.7999 -1.2000 0.0000 N 0 0 4.1568 -2.0994 0.0000 O 0 0 1 2 1 1 1 3 1 0 1 4 1 0 1 5 1 0 5 6 2 0 5 9 1 0 7 8 1 0 7 10 1 0 7 14 1 0 9 14 1 0 10 12 1 0 10 15 1 0 11 14 1 0 11 16 1 0 12 13 2 0 M END > 278619 $$$$ SciTegic05042114222D 29 31 0 0 0 0 999 V2000 5.2003 1.4932 0.0000 C 0 0 5.2020 2.4932 0.0000 H 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.6003 1.4978 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 2.5943 7.5071 0.0000 C 0 0 2.5942 6.0070 0.0000 C 0 0 3.8933 8.2571 0.0000 C 0 0 3.8934 5.2571 0.0000 O 0 0 5.1924 7.5071 0.0000 C 0 0 5.1924 6.0071 0.0000 C 0 0 6.2317 5.4072 0.0000 O 0 0 7.5395 1.3389 0.0000 C 0 0 6.4990 0.7410 0.0000 C 0 0 6.2405 2.0916 0.0000 C 0 0 3.8990 0.7455 0.0000 C 0 0 3.8969 -0.4545 0.0000 O 0 0 1.2982 3.7531 0.0000 C 0 0 1.2960 5.2539 0.0000 C 0 0 -1.2991 4.9500 0.0000 C 0 0 3.8933 9.4571 0.0000 O 0 0 1 2 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 6 1 0 3 4 1 0 4 7 1 0 5 6 1 0 5 24 1 0 6 8 1 0 7 9 2 0 8 10 1 0 8 9 1 0 9 11 1 0 10 12 1 0 10 26 1 0 11 13 2 0 12 13 1 0 12 28 1 0 14 16 1 0 14 15 1 0 15 17 1 0 15 27 1 0 16 18 1 0 16 29 1 0 17 19 1 0 18 19 1 0 19 20 2 0 21 22 1 0 24 25 2 0 26 27 1 0 M END > 281245 > 84173-29-5 $$$$ SciTegic05042114222D 42 45 0 0 0 0 999 V2000 -3.9151 12.7490 0.0000 O 0 0 1.2787 12.7627 0.0000 O 0 0 -1.3102 9.7511 0.0000 N 0 0 -0.0031 3.0008 0.0000 N 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 -1.2122 -3.8625 0.0000 N 0 0 0.7536 -5.2860 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 1.2149 -3.8587 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.1210 -6.4614 0.0000 C 0 0 -1.6265 -6.5039 0.0000 C 0 0 -3.9068 -7.7391 0.0000 C 0 0 -0.7464 -5.2884 0.0000 C 0 0 -0.9080 -7.8226 0.0000 C 0 0 -3.1932 -9.0585 0.0000 C 0 0 -1.6938 -9.1002 0.0000 C 0 0 -0.0080 6.0003 0.0000 C 0 0 -0.0080 7.5003 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.3071 8.2503 0.0000 C 0 0 -2.6061 6.0003 0.0000 C 0 0 -2.6061 7.5003 0.0000 C 0 0 -3.9201 15.4498 0.0000 C 0 0 -3.9182 14.2498 0.0000 S 0 0 -4.9583 14.8483 0.0000 O 0 0 -2.8800 14.8517 0.0000 O 0 0 1.2695 15.4635 0.0000 C 0 0 1.2739 14.2635 0.0000 S 0 0 2.3108 14.8675 0.0000 O 0 0 0.2326 14.8599 0.0000 O 0 0 -2.6142 12.0005 0.0000 C 0 0 -2.6111 10.4997 0.0000 C 0 0 -0.0182 12.0073 0.0000 C 0 0 -0.0134 10.5065 0.0000 C 0 0 -3.6453 5.4003 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 1 30 1 0 1 37 1 0 2 34 1 0 2 39 1 0 3 26 1 0 3 38 1 0 3 40 1 0 4 11 1 0 4 42 2 0 5 12 1 0 6 19 2 0 6 13 1 0 7 14 1 0 7 19 1 0 8 9 2 0 8 10 1 0 9 11 1 0 10 12 2 0 10 13 1 0 11 15 2 0 12 15 1 0 13 14 2 0 16 18 2 0 16 17 1 0 17 20 2 0 17 19 1 0 18 21 1 0 20 22 1 0 21 22 2 0 23 24 2 0 23 25 1 0 24 26 1 0 25 27 2 0 25 42 1 0 26 28 2 0 27 28 1 0 27 41 1 0 29 30 1 0 30 31 2 0 30 32 2 0 33 34 1 0 34 35 2 0 34 36 2 0 37 38 1 0 39 40 1 0 M END > 281613 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 -5.1600 0.1500 0.0000 C 0 0 -4.2800 1.3600 0.0000 C 0 0 -4.2800 -1.0400 0.0000 C 0 0 -2.7000 1.3600 0.0000 C 0 0 -2.7000 -1.0400 0.0000 C 0 0 -1.7700 2.5700 0.0000 C 0 0 -1.8200 -2.2400 0.0000 C 0 0 -0.3400 2.5700 0.0000 C 0 0 0.5400 1.3600 0.0000 C 0 0 -0.3400 -2.2400 0.0000 C 0 0 2.0200 1.3600 0.0000 C 0 0 0.5600 -1.0400 0.0000 C 0 0 -0.3400 0.1500 0.0000 O 0 0 2.9000 0.1500 0.0000 C 0 0 2.0200 -1.0400 0.0000 C 0 0 2.9900 -2.2400 0.0000 O 0 0 4.3000 -2.2400 0.0000 C 0 0 4.3000 0.1500 0.0000 C 0 0 5.1485 -3.0885 0.0000 O 0 0 -6.3600 0.1452 0.0000 C 0 0 0.8596 2.5993 0.0000 C 0 0 0.1967 -3.3133 0.0000 C 0 0 -1.0218 3.5575 0.0000 O 0 0 5.1485 0.9985 0.0000 C 0 0 1 3 1 0 1 2 2 0 1 20 1 0 2 4 1 0 3 5 1 0 4 6 1 0 5 7 1 0 6 8 1 0 7 10 1 0 8 9 1 0 8 21 1 0 8 23 1 0 9 13 1 0 9 11 1 0 10 12 1 0 10 22 1 0 11 14 1 0 12 15 1 0 12 13 1 0 14 15 1 0 14 18 1 0 15 16 1 0 16 17 1 0 17 19 2 0 17 18 1 0 18 24 2 0 M END > 282752 > 22551-45-7 $$$$ SciTegic05042114222D 29 28 0 0 0 0 999 V2000 23.3998 0.0000 0.0000 O 0 0 24.6998 0.7500 0.0000 P 0 0 24.6998 1.9500 0.0000 O 0 0 23.6607 1.3502 0.0000 O 0 5 25.9998 0.0000 0.0000 O 0 0 29.8998 0.7500 0.0000 N 0 3 22.0998 0.7500 0.0000 C 0 0 20.7998 0.0000 0.0000 C 0 0 19.4998 0.7500 0.0000 C 0 0 18.1999 0.0000 0.0000 C 0 0 16.8999 0.7500 0.0000 C 0 0 15.5999 0.0000 0.0000 C 0 0 14.2999 0.7500 0.0000 C 0 0 12.9999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 C 0 0 27.2998 0.7500 0.0000 C 0 0 28.5998 0.0000 0.0000 C 0 0 30.9392 0.1503 0.0000 C 0 0 29.8998 1.9500 0.0000 C 0 0 30.9389 1.3502 0.0000 C 0 0 1 2 1 0 1 7 1 0 2 3 2 0 2 5 1 0 2 4 1 0 5 25 1 0 6 26 1 0 6 27 1 0 6 28 1 0 6 29 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 25 26 1 0 M CHG 2 4 -1 6 1 M END > 282880 > 65956-63-0 $$$$ SciTegic05042114222D 18 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.5972 -1.5031 0.0000 N 0 0 -2.5951 -3.0039 0.0000 C 0 0 -0.0031 3.0008 0.0000 N 0 0 -1.3039 3.7494 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 3.6375 -0.9049 0.0000 C 0 0 -3.6375 -0.9049 0.0000 C 0 0 1.0351 3.6026 0.0000 C 0 0 3.6331 -3.6060 0.0000 O 0 0 -3.6331 -3.6061 0.0000 O 0 0 -1.3064 4.9494 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 11 1 0 2 3 1 0 3 4 2 0 3 9 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 14 1 0 8 17 1 0 9 10 1 0 9 15 1 0 10 18 1 0 11 12 1 0 11 13 1 0 12 16 1 0 M END > 283162 > 64124-21-6 $$$$ SciTegic05042114222D 20 24 0 0 0 0 999 V2000 -5.3219 -1.1549 0.0000 O 0 0 -2.6477 3.0441 0.0000 O 0 0 4.9559 0.6576 0.0000 O 0 0 3.2205 -3.7294 0.0000 O 0 0 -3.0400 1.9100 0.0000 C 0 0 -2.1700 0.2800 0.0000 C 0 0 -0.3400 1.0000 0.0000 C 0 0 -0.5000 2.2500 0.0000 C 0 0 1.2000 0.1200 0.0000 C 0 0 -2.6500 -0.4700 0.0000 C 0 0 0.8100 -0.5600 0.0000 C 0 0 2.6500 -0.4900 0.0000 C 0 0 4.2600 -0.3200 0.0000 C 0 0 2.3100 -1.3200 0.0000 C 0 0 -0.9100 1.7800 0.0000 C 0 0 -0.7600 0.2800 0.0000 C 0 0 -4.4600 -0.3200 0.0000 C 0 0 3.3800 -2.5400 0.0000 C 0 0 -4.5400 1.2500 0.0000 N 0 0 4.5900 -1.7400 0.0000 N 0 0 1 17 2 0 2 5 2 0 3 13 2 0 4 18 2 0 5 6 1 0 5 19 1 0 6 7 1 0 6 10 1 0 7 8 1 0 7 9 1 0 8 15 2 0 9 11 1 0 9 12 1 0 10 17 1 0 10 16 1 0 11 16 1 0 11 14 1 0 12 13 1 0 12 14 1 0 13 20 1 0 14 18 1 0 15 16 1 0 17 19 1 0 18 20 1 0 M END > 284356 > 10403-51-7 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 O 0 0 1.2990 0.7500 0.0000 P 0 0 2.3238 0.1257 0.0000 O 0 0 -8.4346 -2.9660 0.0000 N 0 0 -7.0485 -3.5394 0.0000 C 0 0 -5.8589 -2.6258 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -8.6310 -1.4789 0.0000 C 0 0 -2.7248 -1.2135 0.0000 O 0 0 -7.4413 -0.5653 0.0000 C 0 0 -6.0552 -1.1387 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 O 0 0 -2.7248 1.2135 0.0000 C 0 0 -5.1072 0.0000 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -7.3245 0.9294 0.0000 N 0 0 -5.8661 1.2801 0.0000 C 0 0 -5.3990 2.3855 0.0000 Cl 0 0 1.2708 1.9497 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -9.7398 -1.0201 0.0000 N 0 0 -3.0955 2.3548 0.0000 O 0 0 1 2 1 0 1 21 1 0 2 13 1 0 2 3 2 0 2 20 1 0 4 8 2 0 4 5 1 0 5 6 2 0 6 11 1 0 7 9 1 0 7 12 1 0 7 21 1 0 8 10 1 0 8 22 1 0 9 16 1 0 10 17 1 0 10 11 2 0 11 15 1 0 12 14 1 0 12 13 1 0 14 16 1 0 14 23 1 0 15 18 1 0 15 16 1 0 17 18 2 0 18 19 1 0 M END > 284751 > 41941-56-4 $$$$ SciTegic05042114222D 113122 0 0 0 0 999 V2000 -0.2049 5.8799 0.0000 N 0 0 -0.6570 7.2709 0.0000 C 0 0 0.2470 7.2709 0.0000 S 0 0 1.3089 5.9589 0.0000 C 0 0 2.0920 6.4109 0.0000 C 0 0 0.5259 6.4109 0.0000 C 0 0 2.8750 5.9589 0.0000 C 0 0 2.0920 4.6029 0.0000 C 0 0 2.8750 5.0549 0.0000 O 0 0 2.4060 3.9579 0.0000 C 0 0 1.3089 5.0549 0.0000 N 0 0 -1.7190 5.9589 0.0000 C 0 0 -0.9359 6.4109 0.0000 C 0 0 -2.5020 6.4109 0.0000 O 0 0 -2.5020 4.6029 0.0000 C 0 0 -1.7190 5.0549 0.0000 N 0 0 -3.2849 5.0549 0.0000 C 0 0 -4.0679 5.5069 0.0000 C 0 0 -4.8499 5.0549 0.0000 C 0 0 -3.0879 5.8229 0.0000 C 0 0 -4.0679 6.4109 0.0000 O 0 0 -2.5020 3.6989 0.0000 C 0 0 -3.2329 3.1679 0.0000 S 0 0 -2.9540 2.3079 0.0000 C 0 0 -2.0499 2.3079 0.0000 C 0 0 -1.7709 3.1679 0.0000 N 0 0 -1.5979 1.5249 0.0000 C 0 0 -0.6940 1.5249 0.0000 O 0 0 -1.5979 -0.0399 0.0000 C 0 0 -2.0499 0.7429 0.0000 N 0 0 -0.7079 -0.0399 0.0000 C 0 0 -0.1770 -0.7710 0.0000 N 0 0 0.6829 0.4120 0.0000 C 0 0 -0.1770 0.6909 0.0000 S 0 0 -2.0709 -0.7340 0.0000 C 0 0 -1.6420 -1.5290 0.0000 O 0 0 -2.9749 -0.7340 0.0000 C 0 0 -2.1140 -2.2080 0.0000 C 0 0 -1.6620 -2.9900 0.0000 O 0 0 -3.0209 -2.2080 0.0000 C 0 0 -3.4729 -1.4249 0.0000 C 0 0 -4.3769 -1.4249 0.0000 C 0 0 -4.8289 -2.2080 0.0000 C 0 0 -4.3769 -2.9900 0.0000 C 0 0 -3.4729 -2.9900 0.0000 N 0 0 -5.7330 -2.2080 0.0000 C 0 0 -6.1849 -2.9900 0.0000 C 0 0 -5.7330 -3.7730 0.0000 C 0 0 -4.8289 -3.7730 0.0000 C 0 0 -4.8289 -0.6420 0.0000 C 0 0 -5.7330 -0.6420 0.0000 C 0 0 -4.3769 0.1409 0.0000 O 0 0 -4.3769 -4.5559 0.0000 O 0 0 -5.8689 -5.2899 0.0000 C 0 0 -6.2649 -4.5080 0.0000 N 0 0 -4.9359 -5.2899 0.0000 C 0 0 -6.3210 -6.0730 0.0000 C 0 0 -7.5179 -6.0070 0.0000 C 0 0 -5.8689 -6.8550 0.0000 C 0 0 -5.3880 -6.0730 0.0000 O 0 0 -3.6099 -6.1670 0.0000 C 0 0 -4.5139 -6.1670 0.0000 N 0 0 -3.1309 -5.4009 0.0000 C 0 0 -3.1579 -6.9499 0.0000 C 0 0 -3.5829 -4.6180 0.0000 O 0 0 -1.7490 -4.6649 0.0000 C 0 0 -2.2269 -5.4009 0.0000 N 0 0 -0.8449 -4.6649 0.0000 C 0 0 -2.2009 -3.8830 0.0000 C 0 0 -0.3929 -5.4480 0.0000 O 0 0 0.5370 -3.9620 0.0000 C 0 0 1.0170 -3.1949 0.0000 C 0 0 -0.3670 -3.9620 0.0000 N 0 0 0.9889 -4.7449 0.0000 C 0 0 0.5649 -2.4130 0.0000 O 0 0 1.4660 -0.9440 0.0000 C 0 0 1.4660 -1.8480 0.0000 N 0 0 2.2479 -2.2999 0.0000 C 0 0 3.0310 -1.8480 0.0000 C 0 0 3.0310 -0.9440 0.0000 C 0 0 2.2489 -0.4920 0.0000 C 0 0 0.6829 -0.4920 0.0000 C 0 0 2.2489 -1.4179 0.0000 N 0 0 2.2479 0.3359 0.0000 C 0 0 2.9789 0.8679 0.0000 S 0 0 2.7000 1.7270 0.0000 C 0 0 1.7960 1.7270 0.0000 C 0 0 1.5170 0.8679 0.0000 N 0 0 2.2479 -3.2040 0.0000 C 0 0 1.5170 -3.7349 0.0000 S 0 0 1.7960 -4.5949 0.0000 C 0 0 2.7000 -4.5949 0.0000 C 0 0 2.9810 -3.7349 0.0000 N 0 0 3.1310 -5.3949 0.0000 C 0 0 2.6550 -6.1630 0.0000 O 0 0 4.5089 -4.6530 0.0000 C 0 0 5.4129 -4.6809 0.0000 C 0 0 4.0810 -3.8570 0.0000 C 0 0 5.8420 -5.4759 0.0000 O 0 0 6.7919 -3.9380 0.0000 C 0 0 7.2679 -3.1699 0.0000 C 0 0 7.2200 -4.7349 0.0000 C 0 0 4.0339 -5.4220 0.0000 N 0 0 5.8889 -3.9109 0.0000 N 0 0 6.8389 -2.3730 0.0000 O 0 0 8.1719 -3.1970 0.0000 N 0 0 1.4010 2.4920 0.0000 C 0 0 0.4979 2.4749 0.0000 O 0 0 3.3060 3.9579 0.0000 C 0 0 3.7560 4.7369 0.0000 O 0 0 3.7560 3.1789 0.0000 C 0 0 1.8879 3.1939 0.0000 N 0 0 -3.9219 4.4669 0.0000 O 0 0 1 6 2 0 1 13 1 0 2 3 1 0 2 13 1 0 3 6 1 0 4 5 2 0 4 6 1 0 4 11 1 0 5 7 1 0 8 9 2 0 8 10 1 0 8 11 1 0 10109 1 0 10112 1 0 12 13 1 0 12 14 2 0 12 16 1 0 15 16 1 0 15 17 1 0 15 22 1 0 17 18 1 0 17 20 1 0 17113 1 0 18 19 1 0 18 21 1 0 22 23 1 0 22 26 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 27 30 1 0 29 30 1 0 29 31 1 0 29 35 1 0 31 32 2 0 31 34 1 0 32 82 1 0 33 34 1 0 33 82 2 0 35 36 1 0 35 37 1 0 36 38 1 0 38 39 2 0 38 40 1 0 40 41 2 0 40 45 1 0 41 42 1 0 42 43 2 0 42 50 1 0 43 44 1 0 43 46 1 0 44 45 2 0 44 49 1 0 46 47 2 0 47 48 1 0 48 49 1 0 48 55 1 0 49 53 1 0 50 51 1 0 50 52 1 0 54 55 1 0 54 56 1 0 54 57 1 0 56 60 2 0 56 62 1 0 57 58 1 0 57 59 1 0 61 62 1 0 61 63 1 0 61 64 2 0 63 65 2 0 63 67 1 0 66 67 1 0 66 68 1 0 66 69 2 0 68 70 2 0 68 73 1 0 71 72 1 0 71 73 1 0 71 74 1 0 72 75 2 0 72 83 1 0 76 77 1 0 76 81 1 0 76 82 1 0 77 78 2 0 78 79 1 0 78 89 1 0 79 80 1 0 80 81 1 0 81 83 1 0 81 84 1 0 84 85 1 0 84 88 2 0 85 86 1 0 86 87 2 0 87 88 1 0 87107 1 0 89 90 1 0 89 93 2 0 90 91 1 0 91 92 2 0 92 93 1 0 92 94 1 0 94 95 2 0 94103 1 0 96 97 1 0 96 98 2 0 96103 1 0 97 99 2 0 97104 1 0 100101 1 0 100102 2 0 100104 1 0 101105 2 0 101106 1 0 107108 2 0 107112 1 0 109110 1 0 109111 1 0 M END > 285116 > 12656-09-6 $$$$ SciTegic05042114222D 11 12 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 2.7000 0.0000 O 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 2 2 0 1 3 1 0 2 6 1 0 3 4 2 0 4 5 1 0 4 11 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 M END > 285166 > 148-24-3 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 285223 $$$$ SciTegic05042114222D 17 18 0 0 0 0 999 V2000 -1.6332 -2.2426 0.0000 C 0 0 5.2426 3.7064 0.0000 C 0 0 0.7500 -1.0323 0.0000 N 0 0 2.9667 2.3101 0.0000 O 0 0 0.0000 1.2760 0.0000 S 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 2.6408 0.8581 0.0000 C 0 0 3.8950 0.0676 0.0000 C 0 0 5.0358 1.0415 0.0000 C 0 0 4.4621 2.4275 0.0000 C 0 0 -1.1470 -3.3397 0.0000 N 0 0 4.6687 4.7603 0.0000 O 0 0 6.2026 0.7611 0.0000 O 0 0 3.9815 -1.1293 0.0000 O 0 0 -2.8264 -2.1154 0.0000 O 0 0 1 7 1 0 1 13 1 0 1 17 2 0 2 12 1 0 2 14 1 0 3 8 2 0 3 7 1 0 4 9 1 0 4 12 1 0 5 6 1 0 5 8 1 0 6 7 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 16 1 0 11 12 1 0 11 15 1 0 M END > 286193 > 60084-10-8 $$$$ SciTegic05042114222D 32 35 0 0 0 0 999 V2000 -0.0031 -3.0008 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 5.1024 4.3024 0.0000 C 0 0 3.6628 4.7240 0.0000 C 0 0 1.1143 4.0030 0.0000 N 0 0 0.0000 3.0000 0.0000 C 0 0 2.5822 3.6908 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 5.4571 2.8450 0.0000 C 0 0 6.6087 2.5077 0.0000 Cl 0 0 2.9327 2.2306 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 4.3723 1.8091 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -0.9876 5.2165 0.0000 C 0 0 0.5041 5.3733 0.0000 N 0 0 -1.9881 6.3318 0.0000 C 0 0 -3.1622 6.0841 0.0000 O 0 0 -3.0613 11.4198 0.0000 N 0 0 -1.0432 -3.5994 0.0000 C 0 0 -1.5225 7.7586 0.0000 N 0 0 -2.5247 8.8758 0.0000 C 0 0 -2.0592 10.3026 0.0000 C 0 0 -2.5958 12.8466 0.0000 C 0 0 -3.3971 13.7398 0.0000 C 0 0 -4.5305 11.1130 0.0000 C 0 0 -5.3308 12.0072 0.0000 C 0 0 1 3 1 0 1 25 1 0 2 4 2 0 2 3 1 0 3 5 2 0 4 6 1 0 5 7 1 0 6 11 1 0 6 7 2 0 7 13 1 0 8 14 1 0 8 9 2 0 9 12 1 0 10 12 1 0 10 21 1 0 10 11 1 0 11 17 2 0 12 16 2 0 13 19 1 0 14 15 1 0 14 18 2 0 16 18 1 0 17 20 1 0 17 19 1 0 20 21 2 0 20 22 1 0 22 23 2 0 22 26 1 0 24 28 1 0 24 29 1 0 24 31 1 0 26 27 1 0 27 28 1 0 29 30 1 0 31 32 1 0 M END > 288010 > 56457-10-4 $$$$ SciTegic05042114222D 39 43 0 0 0 0 999 V2000 -2.3383 -0.1500 0.0000 C 0 0 -2.3383 4.3500 0.0000 C 0 0 1.3141 -9.7488 0.0000 C 0 0 2.6053 -7.4943 0.0000 C 0 0 2.6157 -10.4943 0.0000 C 0 0 3.9070 -8.2398 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 6.5121 -9.7263 0.0000 C 0 0 5.2270 -11.9838 0.0000 C 0 0 7.8160 -10.4695 0.0000 C 0 0 6.5316 -12.7256 0.0000 C 0 0 0.0080 -7.5002 0.0000 C 0 0 1.3088 -8.2488 0.0000 C 0 0 3.9122 -9.7398 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 0.0049 -5.9994 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -1.2991 5.2500 0.0000 N 0 0 5.2161 -10.4830 0.0000 N 0 0 0.0000 7.2000 0.0000 O 0 0 1.0431 -5.3976 0.0000 O 0 0 -1.2959 -5.2508 0.0000 O 0 0 8.8523 -9.8644 0.0000 Cl 0 0 6.5404 -13.9256 0.0000 Cl 0 0 -2.1651 5.7500 0.0000 H 0 0 1 30 1 0 2 31 1 0 3 5 2 0 3 21 1 0 4 6 1 0 4 21 2 0 5 22 1 0 6 22 2 0 7 8 1 0 7 23 1 0 8 25 1 0 9 12 1 0 9 26 1 0 10 13 1 0 10 24 1 0 11 14 1 0 11 27 1 0 12 28 1 0 13 30 1 0 14 31 1 0 15 23 1 0 15 24 1 0 16 18 1 0 16 33 1 0 17 19 1 0 17 33 1 0 18 37 1 0 19 38 1 0 20 21 1 0 20 29 1 0 22 33 1 0 23 30 1 0 24 36 1 0 25 26 1 0 25 27 1 0 26 31 1 0 27 30 1 0 28 32 1 0 28 34 2 0 29 35 2 0 29 36 1 0 31 32 1 0 32 39 1 0 M END > 290205 > 43000-65-3 $$$$ SciTegic05042114222D 19 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 1.7530 0.0000 N 0 0 -0.3115 2.9665 0.0000 C 0 0 0.4916 3.8582 0.0000 O 0 0 -3.9040 1.5956 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 -4.7857 2.8092 0.0000 C 0 0 -2.6838 4.3363 0.0000 N 0 0 -4.1756 4.1795 0.0000 C 0 0 -6.2774 2.6524 0.0000 C 0 0 -7.1591 3.8659 0.0000 C 0 0 -5.0573 5.3930 0.0000 C 0 0 -6.5490 5.2362 0.0000 C 0 0 -4.3918 0.4993 0.0000 O 0 0 1 3 1 0 1 2 2 0 2 4 1 0 3 5 2 0 4 6 2 0 5 8 1 0 5 6 1 0 6 7 1 0 7 11 1 0 7 10 1 0 8 9 2 0 8 11 1 0 10 12 1 0 10 19 1 0 11 13 2 0 12 14 2 0 12 15 1 0 13 14 1 0 14 17 1 0 15 16 2 0 16 18 1 0 17 18 2 0 M END > 292147 > 62584-08-1 $$$$ SciTegic05042114222D 51 56 0 0 0 0 999 V2000 8.0000 8.3333 0.0000 C 0 0 9.0909 8.3333 0.0000 C 0 0 10.1818 7.3333 0.0000 C 0 0 9.0909 9.3333 0.0000 C 0 0 11.2727 8.3333 0.0000 O 0 0 9.0909 6.3333 0.0000 O 0 0 11.2727 6.3333 0.0000 C 0 0 11.2727 9.3333 0.0000 C 0 0 9.0909 5.3333 0.0000 C 0 0 12.3636 6.3333 0.0000 C 0 0 11.2727 5.3333 0.0000 C 0 0 12.3636 10.3333 0.0000 C 0 0 13.4545 9.3333 0.0000 C 0 0 8.0000 5.3333 0.0000 C 0 0 10.1818 4.3333 0.0000 C 0 0 12.3636 5.3333 0.0000 O 0 0 14.5455 8.3333 0.0000 O 0 0 13.4545 10.3333 0.0000 C 0 0 5.8182 5.3333 0.0000 C 0 0 13.4545 5.3333 0.0000 C 0 0 15.6364 9.3333 0.0000 C 0 0 15.6364 10.3333 0.0000 C 0 0 5.8182 6.3333 0.0000 O 0 0 4.7273 4.3333 0.0000 C 0 0 16.7273 9.3333 0.0000 C 0 0 15.6364 7.3333 0.0000 C 0 0 4.7273 7.3333 0.0000 C 0 0 3.6364 5.3333 0.0000 C 0 0 15.6364 6.3333 0.0000 O 0 0 17.8182 7.3333 0.0000 C 0 0 4.7273 8.3333 0.0000 C 0 0 3.6364 6.3333 0.0000 C 0 0 16.7273 5.3333 0.0000 C 0 0 18.9091 8.3333 0.0000 C 0 0 17.8182 6.3333 0.0000 C 0 0 4.7273 9.3333 0.0000 C 0 0 5.8182 8.3333 0.0000 C 0 0 2.5455 6.3333 0.0000 C 0 0 16.7273 3.3333 0.0000 C 0 0 4.7273 10.3333 0.0000 O 0 0 5.8182 9.3333 0.0000 O 0 5 15.6364 2.3333 0.0000 O 0 0 17.8182 2.3333 0.0000 C 0 0 15.6364 1.3333 0.0000 C 0 0 18.9091 2.3333 0.0000 C 0 0 17.8182 1.3333 0.0000 C 0 0 14.5455 1.3333 0.0000 C 0 0 16.7273 1.3333 0.0000 O 0 0 16.7273 0.3333 0.0000 C 0 0 13.4545 1.3333 0.0000 O 0 0 16.7273 -0.6667 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 2 1 0 5 3 1 0 6 3 1 0 7 3 1 0 8 4 1 0 8 5 1 0 9 6 1 0 10 7 1 0 11 7 1 0 12 8 1 0 13 8 1 0 14 9 1 0 15 9 1 0 15 11 1 0 16 11 1 0 17 13 1 0 18 13 1 0 19 14 1 0 20 16 1 0 21 17 1 0 22 18 1 0 22 21 1 0 23 19 1 0 24 19 1 0 25 21 1 0 26 21 1 0 27 23 1 0 28 24 1 0 29 26 1 0 30 26 1 0 31 27 1 0 32 27 1 0 32 28 1 0 33 29 1 0 34 30 1 0 35 30 1 0 35 33 1 0 36 31 1 0 37 31 1 0 38 32 1 0 39 33 1 0 40 36 2 0 41 36 1 0 42 39 1 0 43 39 1 0 44 42 1 0 45 43 1 0 46 43 1 0 47 44 1 0 48 44 1 0 49 44 1 0 49 46 1 0 50 47 1 0 51 49 1 0 M CHG 1 41 -1 M END > 292567 > 28643-80-3 $$$$ SciTegic05042114222D 32 33 0 0 0 0 999 V2000 3.8137 1.6943 0.0000 O 0 0 4.8739 0.6319 0.0000 C 0 0 2.3634 1.3082 0.0000 C 0 0 6.3242 1.0179 0.0000 C 0 0 4.5617 -0.5268 0.0000 O 0 0 1.3031 2.3706 0.0000 C 0 0 1.9778 -0.1420 0.0000 C 0 0 7.3844 -0.0444 0.0000 C 0 0 6.6364 2.1766 0.0000 C 0 0 -0.1453 1.9836 0.0000 C 0 0 1.3833 3.8678 0.0000 C 0 0 0.5306 -0.5345 0.0000 C 0 0 8.5440 0.2643 0.0000 C 0 0 -0.5306 0.5345 0.0000 C 0 0 -0.9615 3.2413 0.0000 O 0 0 2.3903 4.5204 0.0000 C 0 0 -0.0167 4.4064 0.0000 C 0 0 -0.3200 0.3119 0.0000 C 0 0 0.1453 -1.9836 0.0000 C 0 0 -1.9778 0.1420 0.0000 C 0 0 -0.3265 5.5657 0.0000 O 0 0 1.2050 -3.0464 0.0000 O 0 0 -1.3031 -2.3707 0.0000 C 0 0 -3.0393 1.2030 0.0000 C 0 0 -2.3634 -1.3082 0.0000 C 0 0 -2.6521 2.6530 0.0000 O 0 0 -3.8121 -1.7002 0.0000 O 0 0 -4.1980 -3.1506 0.0000 C 0 0 -3.3476 -3.9973 0.0000 C 0 0 -5.3563 -3.4640 0.0000 O 0 0 0.9454 -4.0122 0.0000 H 0 0 -3.3593 3.3600 0.0000 H 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 2 0 3 6 1 0 3 7 1 0 4 8 1 0 4 9 1 0 6 10 1 0 6 11 1 0 7 12 2 0 8 13 1 0 10 14 1 0 10 15 1 0 11 16 2 0 11 17 1 0 12 18 1 0 12 19 1 0 14 20 2 0 17 21 2 0 19 22 1 0 19 23 1 0 20 24 1 0 20 25 1 0 24 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 28 30 2 0 15 17 1 0 23 25 1 0 22 31 1 0 26 32 1 0 M END > 292663 > 66922-25-6 $$$$ SciTegic05042114222D 18 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 -3.8933 3.7570 0.0000 N 0 0 -5.1959 3.0115 0.0000 N 0 0 -6.2333 3.6148 0.0000 O 0 0 -5.1873 7.5117 0.0000 S 0 0 -7.5214 10.3677 0.0000 Cl 0 0 -2.5973 1.5031 0.0000 N 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 -6.4855 8.2648 0.0000 C 0 0 -6.4834 9.7656 0.0000 C 0 0 1 2 1 0 1 3 1 0 2 5 1 0 3 4 1 0 4 6 1 0 5 6 1 0 6 14 1 0 7 8 2 0 7 9 1 0 7 14 1 0 9 10 1 0 9 15 1 0 10 11 2 0 12 16 1 0 12 17 1 0 13 18 1 0 15 16 1 0 17 18 1 0 M END > 292684 > 66929-50-8 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 3.9117 -8.2481 0.0000 N 0 0 1.3070 -5.2502 0.0000 O 0 0 1.3039 -3.7494 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3421 -3.1476 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 O 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 2.7000 0.0000 O 0 0 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 3.9148 -9.7490 0.0000 C 0 0 4.9549 -10.3475 0.0000 C 0 0 5.2086 -7.4928 0.0000 C 0 0 5.2048 -6.2928 0.0000 C 0 0 2.6109 -7.4996 0.0000 C 0 0 2.6078 -5.9988 0.0000 C 0 0 0.0031 -3.0008 0.0000 C 0 0 -5.1968 -1.5004 0.0000 C 0 0 -6.4971 -0.7525 0.0000 C 0 0 -7.7950 -1.5046 0.0000 C 0 0 -7.7926 -3.0046 0.0000 C 0 0 -6.4924 -3.7525 0.0000 C 0 0 -5.1945 -3.0005 0.0000 C 0 0 1 16 1 0 1 18 1 0 1 20 1 0 2 3 1 0 2 21 1 0 3 6 2 0 3 22 1 0 4 5 1 0 4 8 2 0 5 7 2 0 7 10 1 0 8 9 1 0 8 22 1 0 9 10 2 0 9 11 1 0 10 12 1 0 11 14 1 0 12 13 2 0 12 15 1 0 14 15 2 0 14 23 1 0 16 17 1 0 18 19 1 0 20 21 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 M END > 293015 > 87626-57-1 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 O 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 5.2507 0.0000 C 0 0 -0.0869 6.1125 0.0000 S 0 0 -3.6373 3.6000 0.0000 O 0 0 -2.5140 6.1087 0.0000 C 0 0 -0.5527 7.5384 0.0000 S 0 0 -2.0527 7.5360 0.0000 C 0 0 -2.9368 8.7487 0.0000 C 0 0 -2.4346 10.1569 0.0000 C 0 0 -3.4069 11.2991 0.0000 C 0 0 -4.8822 11.0281 0.0000 C 0 0 -5.3852 9.6150 0.0000 C 0 0 -4.4129 8.4728 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 4 6 1 0 5 8 1 0 5 6 2 0 6 9 1 0 7 8 2 0 8 10 1 0 9 11 1 0 10 12 2 0 10 11 1 0 11 14 2 0 12 13 1 0 12 15 1 0 13 16 1 0 15 17 2 0 16 17 1 0 17 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 M END > 293927 > 63520-86-5 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.3383 3.1500 0.0000 O 0 0 1.2990 3.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -2.3383 5.8500 0.0000 O 0 0 -2.3238 -0.1256 0.0000 C 0 0 -1.2708 -1.9497 0.0000 C 0 0 1.0392 2.1000 0.0000 C 0 0 2.3382 5.8500 0.0000 O 0 0 -3.6373 3.6000 0.0000 O 0 0 -0.0031 7.5008 0.0000 C 0 0 -1.0432 8.0994 0.0000 C 0 0 1.0350 8.1027 0.0000 C 0 0 1 3 1 0 1 2 1 0 2 4 1 0 3 5 1 0 4 6 1 0 4 17 1 0 4 18 1 0 5 10 1 0 5 6 1 0 5 19 1 0 6 9 1 0 7 8 2 0 8 13 1 0 8 10 1 0 9 12 1 0 10 11 2 0 11 15 1 0 11 12 1 0 12 21 1 0 13 14 2 0 13 20 1 0 14 15 1 0 14 22 1 0 15 16 2 0 22 23 1 0 22 24 1 0 M END > 294577 > 21887-01-4 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 -9.2853 1.6272 0.0000 C 0 0 -8.8220 3.0539 0.0000 C 0 0 -8.2815 0.5127 0.0000 C 0 0 -7.3549 3.3660 0.0000 C 0 0 -6.8143 0.8248 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -3.8794 1.4442 0.0000 C 0 0 -6.3509 2.2515 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 1.7530 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 -4.8823 2.5608 0.0000 C 0 0 -0.3115 2.9665 0.0000 N 0 0 -2.4032 4.1625 0.0000 O 0 0 -4.5097 3.7015 0.0000 O 0 0 0.0000 -2.7000 0.0000 Br 0 0 0.3577 3.7096 0.0000 H 0 0 1 2 2 0 1 3 1 0 2 4 1 0 3 5 2 0 4 10 2 0 5 10 1 0 6 7 2 0 6 11 1 0 7 12 1 0 8 11 2 0 8 13 1 0 9 14 2 0 9 16 1 0 10 16 1 0 11 20 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 1 0 15 17 1 0 15 18 2 0 16 19 2 0 17 21 1 0 M END > 294961 > 70452-30-1 $$$$ SciTegic05042114222D 9 9 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.3238 -0.1256 0.0000 O 0 0 -1.2708 -1.9497 0.0000 C 0 0 1 4 1 0 1 2 2 0 2 3 1 0 3 6 1 0 3 8 1 0 3 9 1 0 4 5 2 0 4 7 1 0 6 7 2 0 M END > 295156 > 23438-23-5 $$$$ SciTegic05042114222D 12 11 0 0 0 0 999 V2000 2.6000 0.0000 0.0000 S 0 0 1.3000 0.7500 0.0000 P 0 0 0.2606 0.1503 0.0000 O 0 0 10.3999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 6.5000 0.7500 0.0000 N 0 0 1.3000 1.9500 0.0000 O 0 0 0.2609 1.3502 0.0000 O 0 0 11.4393 0.5997 0.0000 N 0 0 1 2 1 0 1 8 1 0 2 3 2 0 2 10 1 0 2 11 1 0 4 5 1 0 4 12 1 0 5 6 1 0 6 9 1 0 7 8 1 0 7 9 1 0 M END > 296961 > 20537-88-6 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 O 0 0 -2.5981 2.7000 0.0000 O 0 0 -6.5000 -3.7494 0.0000 C 0 0 -6.5031 -5.2502 0.0000 C 0 0 -7.8070 -7.4996 0.0000 C 0 0 -9.1079 -8.2482 0.0000 C 0 0 -5.1962 2.7000 0.0000 O 0 0 -9.1103 -9.4482 0.0000 O 0 0 -7.8039 -5.9988 0.0000 N 0 0 -5.1992 -3.0009 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 1 0 7 16 2 0 8 9 2 0 8 11 1 0 9 10 1 0 9 14 1 0 10 15 2 0 11 12 2 0 11 21 1 0 12 13 1 0 13 14 2 0 14 24 1 0 17 18 1 0 17 24 1 0 18 23 1 0 19 20 1 0 19 23 1 0 20 22 1 0 M END > 299187 > 69895-67-6 $$$$ SciTegic05042114222D 17 18 0 0 0 0 999 V2000 -0.0031 -3.0008 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -3.6373 3.6000 0.0000 O 0 0 2.6003 -1.4977 0.0000 N 0 3 2.6024 -2.6977 0.0000 O 0 5 3.6387 -0.8963 0.0000 O 0 0 -1.0432 -3.5994 0.0000 C 0 0 1.0392 3.6000 0.0000 C 0 0 1 3 1 0 1 16 1 0 2 5 1 0 2 3 2 0 2 13 1 0 3 4 1 0 4 6 2 0 5 7 2 0 6 7 1 0 6 8 1 0 7 9 1 0 8 10 1 0 9 11 2 0 9 17 1 0 10 11 1 0 10 12 2 0 13 14 1 0 13 15 2 0 M CHG 2 13 1 14 -1 M END > 299879 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.1210 6.4614 0.0000 C 0 0 3.9068 7.7391 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 3.1932 9.0585 0.0000 C 0 0 -1.2149 3.8587 0.0000 C 0 0 0.9080 7.8226 0.0000 C 0 0 1.6938 9.1002 0.0000 C 0 0 1.6265 6.5039 0.0000 N 0 3 1.2121 3.8625 0.0000 S 0 0 -0.7537 5.2860 0.0000 S 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.0432 -3.5994 0.0000 C 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 18 1 0 3 7 1 0 4 8 1 0 4 9 1 0 5 6 1 0 5 15 1 0 6 11 1 0 7 8 2 0 9 16 1 0 9 12 2 0 10 16 1 0 10 17 1 0 10 15 2 0 11 14 1 0 12 17 1 0 13 15 1 0 13 14 1 0 18 19 1 0 M CHG 1 15 1 M END > 302358 > 24372-73-4 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 -4.5434 -1.8425 0.0000 O 0 0 -3.2400 0.5000 0.0000 C 0 0 -3.2400 -1.1000 0.0000 C 0 0 -1.8700 1.3200 0.0000 C 0 0 -1.8700 -1.9100 0.0000 C 0 0 -0.4900 0.5000 0.0000 C 0 0 -0.4900 -1.1000 0.0000 C 0 0 0.8700 -1.9100 0.0000 C 0 0 0.8700 1.3200 0.0000 C 0 0 1.9149 0.7299 0.0000 O 0 0 0.8700 2.9700 0.0000 C 0 0 2.2900 -1.1000 0.0000 C 0 0 2.2900 0.5000 0.0000 C 0 0 1.9200 3.7100 0.0000 C 0 0 2.2900 1.8700 0.0000 C 0 0 3.2600 2.7600 0.0000 C 0 0 4.3800 1.9000 0.0000 C 0 0 3.7600 0.0600 0.0000 C 0 0 4.3114 -1.0058 0.0000 O 0 0 -5.8393 -1.0854 0.0000 C 0 0 -6.8819 -1.6794 0.0000 O 0 0 -5.8328 0.1145 0.0000 C 0 0 -0.8182 -2.4878 0.0000 C 0 0 -0.4939 1.7000 0.0000 C 0 0 -2.9235 -2.4845 0.0000 C 0 0 3.3277 -1.7027 0.0000 O 0 0 5.5280 2.2494 0.0000 C 0 0 1 3 1 0 1 20 1 0 2 4 1 0 2 3 1 0 3 5 1 0 4 6 1 0 5 7 1 0 5 23 1 0 5 25 1 0 6 9 1 0 6 7 1 0 6 24 1 0 7 8 1 0 8 12 1 0 9 11 1 0 9 10 2 0 11 14 1 0 12 13 1 0 12 26 1 0 13 15 2 0 13 18 1 0 14 16 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 27 2 0 18 19 2 0 20 21 2 0 20 22 1 0 M END > 302979 > 73211-11-7 $$$$ SciTegic05042114222D 62 71 0 0 0 0 999 V2000 9.9444 5.8243 0.0000 C 0 0 6.3571 -8.1875 0.0000 C 0 0 11.0164 -5.9500 0.0000 C 0 0 10.2628 -1.4146 0.0000 C 0 0 7.6484 3.6361 0.0000 C 0 0 -0.0961 0.5864 0.0000 C 0 0 9.2961 -8.3839 0.0000 C 0 0 -1.5800 3.5700 0.0000 C 0 0 -1.5800 2.3600 0.0000 C 0 0 -0.5200 4.1800 0.0000 C 0 0 -0.5200 1.7400 0.0000 C 0 0 5.1052 -0.8662 0.0000 C 0 0 7.6511 0.6501 0.0000 C 0 0 3.6300 4.4400 0.0000 C 0 0 5.8467 -1.8286 0.0000 C 0 0 4.4507 -2.3512 0.0000 C 0 0 5.4000 4.4400 0.0000 C 0 0 3.4474 -4.8443 0.0000 C 0 0 5.1500 2.5900 0.0000 C 0 0 4.7800 0.7700 0.0000 C 0 0 8.0000 2.6300 0.0000 C 0 0 4.2534 -6.6643 0.0000 C 0 0 5.7479 -6.7848 0.0000 C 0 0 10.4836 4.4245 0.0000 C 0 0 7.2072 -6.9517 0.0000 C 0 0 0.5400 3.5700 0.0000 C 0 0 0.5400 2.3600 0.0000 C 0 0 6.4340 -1.5918 0.0000 C 0 0 5.1032 0.6072 0.0000 C 0 0 7.6302 -0.8525 0.0000 C 0 0 6.3721 1.3717 0.0000 C 0 0 2.6800 3.5700 0.0000 C 0 0 2.6800 2.3600 0.0000 C 0 0 6.3400 1.4900 0.0000 C 0 0 8.1700 0.7400 0.0000 C 0 0 5.9196 -4.2413 0.0000 C 0 0 8.2327 -3.1241 0.0000 C 0 0 8.0238 -5.7147 0.0000 C 0 0 10.1671 -7.1864 0.0000 C 0 0 2.5031 0.5969 0.0000 C 0 0 9.4767 -5.7909 0.0000 C 0 0 6.7547 -3.0049 0.0000 C 0 0 3.8000 1.3400 0.0000 C 0 0 9.5700 3.3100 0.0000 C 0 0 6.5624 -5.5969 0.0000 C 0 0 8.8616 -4.4451 0.0000 C 0 0 1.6100 1.7400 0.0000 N 0 0 8.8088 -1.7832 0.0000 N 0 0 4.5169 -3.8106 0.0000 N 0 0 6.3400 3.3100 0.0000 N 0 3 9.6575 -3.1972 0.0000 O 0 0 7.2272 4.5195 0.0000 O 0 5 10.8137 -8.5399 0.0000 O 0 0 2.5094 -0.9031 0.0000 O 0 0 10.9731 -5.8949 0.0000 O 0 0 9.5700 1.0500 0.0000 O 0 0 6.3573 2.8726 0.0000 O 0 0 1.2000 1.3414 0.0000 O 0 0 8.6384 -7.0358 0.0000 O 0 0 8.6710 -7.0686 0.0000 O 0 0 1.6100 0.2400 0.0000 H 0 0 9.0002 -1.8488 0.0000 H 0 0 1 24 1 0 2 25 1 0 3 39 1 0 4 48 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 9 2 0 8 10 1 0 9 11 1 0 10 26 2 0 11 27 2 0 12 28 2 0 12 29 1 0 13 30 2 0 13 31 1 0 14 17 1 0 14 32 1 0 15 16 1 0 15 42 1 0 16 49 1 0 17 50 1 0 18 22 1 0 18 49 1 0 19 34 1 0 19 43 1 0 20 34 1 0 20 50 1 0 21 44 1 0 21 50 1 0 22 23 2 0 23 45 1 0 24 44 1 0 25 45 1 0 26 27 1 0 26 32 1 0 27 47 1 0 28 30 1 0 28 42 1 0 29 31 2 0 29 43 1 0 30 48 1 0 31 57 1 0 32 33 2 0 33 43 1 0 33 47 1 0 34 35 1 0 35 44 1 0 35 56 1 0 36 42 1 0 36 45 1 0 36 49 1 0 37 42 1 0 37 46 1 0 37 48 1 0 38 45 1 0 38 46 1 0 38 60 1 0 39 53 2 0 39 60 1 0 40 43 1 0 40 54 2 0 40 58 1 0 41 46 1 0 41 55 2 0 41 59 1 0 44 56 1 0 46 51 1 0 50 52 1 0 47 61 1 0 51 62 1 0 M CHG 2 50 1 52 -1 M END > 304421 $$$$ SciTegic05042114222D 36 39 0 0 0 0 999 V2000 2.6000 2.7700 0.0000 C 0 0 3.1100 1.3100 0.0000 C 0 0 1.1000 3.0500 0.0000 C 0 0 4.1500 -1.2500 0.0000 C 0 0 2.1200 0.1500 0.0000 C 0 0 0.1000 1.8900 0.0000 C 0 0 5.1500 -2.5200 0.0000 C 0 0 2.6200 -1.2500 0.0000 C 0 0 0.6100 0.4300 0.0000 C 0 0 -1.3600 2.2200 0.0000 C 0 0 4.7500 -4.0500 0.0000 C 0 0 1.6300 -2.4000 0.0000 C 0 0 -0.3600 -0.6800 0.0000 C 0 0 -0.7600 -0.1800 0.0000 C 0 0 3.3100 -4.6600 0.0000 C 0 0 1.8900 -3.8800 0.0000 C 0 0 0.1300 -2.1300 0.0000 C 0 0 -0.9240 -1.3687 0.0000 O 0 0 -1.8296 -0.3755 0.0000 O 0 0 -3.5482 3.6172 0.0000 C 0 0 -4.2407 4.9478 0.0000 C 0 0 -5.7393 5.0134 0.0000 C 0 0 -6.5454 3.7484 0.0000 C 0 0 -5.8530 2.4178 0.0000 C 0 0 -4.3544 2.3522 0.0000 C 0 0 -2.0489 3.5483 0.0000 C 0 0 -1.9400 0.8000 0.0000 N 0 0 0.7028 4.1823 0.0000 C 0 0 -2.8291 -1.4951 0.0000 C 0 0 -4.0041 -1.2514 0.0000 O 0 0 -2.4530 -2.6347 0.0000 C 0 0 3.3819 3.6803 0.0000 C 0 0 2.0430 -5.0702 0.0000 O 0 0 4.2895 1.0890 0.0000 O 0 0 0.8127 -3.3514 0.0000 C 0 0 5.6578 -4.8348 0.0000 C 0 0 1 2 1 0 1 3 1 0 1 32 2 0 2 5 1 0 2 34 1 0 3 6 1 0 3 28 1 0 4 8 2 0 4 7 1 0 5 8 1 0 5 9 1 0 6 9 1 0 6 10 1 0 7 11 1 0 9 14 1 0 9 13 1 0 10 26 1 0 10 27 1 0 11 15 1 0 11 36 1 0 12 17 2 0 12 16 1 0 13 17 1 0 13 19 1 0 14 18 2 0 14 27 1 0 15 16 1 0 16 33 1 0 16 35 1 0 19 29 1 0 20 21 2 0 20 25 1 0 20 26 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 29 30 2 0 29 31 1 0 M END > 305222 > 53760-19-3 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 -2.6082 -7.4994 0.0000 C 0 0 -3.9098 -8.2449 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -2.6029 -5.9994 0.0000 C 0 0 -5.2063 -7.4904 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -3.8995 -5.2449 0.0000 C 0 0 -5.2011 -5.9904 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.8783 -10.3500 0.0000 F 0 0 -3.9150 -9.7457 0.0000 C 0 0 -3.9198 -10.9457 0.0000 F 0 0 -4.9565 -10.3418 0.0000 F 0 0 -1.3021 -5.2508 0.0000 S 0 0 -1.2990 0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 N 0 0 2.3383 -1.3500 0.0000 N 0 0 0.0000 2.7000 0.0000 N 0 0 1 2 1 0 1 5 2 0 2 16 1 0 2 6 2 0 3 21 2 0 3 7 1 0 3 22 1 0 4 7 2 0 4 8 1 0 5 19 1 0 5 9 1 0 6 10 1 0 7 12 1 0 8 19 1 0 8 13 2 0 9 10 2 0 11 21 1 0 11 20 2 0 11 23 1 0 12 14 2 0 12 20 1 0 13 14 1 0 15 16 1 0 16 18 1 0 16 17 1 0 M END > 305782 > 51123-99-0 $$$$ SciTegic05042114222D 27 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.6012 -3.0008 0.0000 C 0 0 -3.9020 -3.7494 0.0000 C 0 0 -3.9051 -5.2502 0.0000 C 0 0 -5.2090 -7.4996 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.0388 3.6015 0.0000 F 0 0 -1.0394 3.6005 0.0000 F 0 0 -0.0006 4.2008 0.0000 F 0 0 -5.1969 1.5004 0.0000 C 0 0 -5.1976 2.7004 0.0000 F 0 0 -6.2359 0.9001 0.0000 F 0 0 -6.2364 2.0999 0.0000 F 0 0 -5.2059 -5.9988 0.0000 N 0 0 -6.2490 -8.0981 0.0000 C 0 0 -5.2109 -8.6996 0.0000 C 0 0 -4.1708 -8.1014 0.0000 C 0 0 -1.5630 -3.6026 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 15 1 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 27 1 0 12 13 1 0 13 23 1 0 14 23 1 0 14 24 1 0 14 25 1 0 14 26 1 0 15 16 1 0 15 17 1 0 15 18 1 0 19 20 1 0 19 21 1 0 19 22 1 0 M END > 305819 $$$$ SciTegic05042114222D 27 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -4.0238 -1.0365 0.0000 N 0 0 -4.3328 -0.0854 0.0000 H 0 0 -4.0238 -3.4635 0.0000 N 0 0 -2.5847 6.0040 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -4.9055 -2.2500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 -2.5765 7.5048 0.0000 N 0 0 -1.2731 8.2489 0.0000 C 0 0 -1.2665 9.4488 0.0000 O 0 0 -0.2370 7.6435 0.0000 C 0 0 -3.6126 8.1102 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 1 19 2 0 1 18 1 0 2 11 1 0 2 12 1 0 2 3 1 0 4 11 2 0 4 14 1 0 5 7 2 0 5 6 1 0 5 22 1 0 6 9 2 0 7 8 1 0 8 10 2 0 9 10 1 0 10 27 1 0 12 14 2 0 12 13 1 0 13 18 2 0 13 15 1 0 14 17 1 0 15 16 2 0 15 27 1 0 16 19 1 0 17 20 2 0 18 20 1 0 19 21 1 0 22 23 1 0 22 26 1 0 23 24 2 0 23 25 1 0 M END > 305884 > 55435-65-9 $$$$ SciTegic05042114222D 71 80 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 -0.7237 -2.1806 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8384 -3.1843 0.0000 C 0 0 -1.2567 -5.8523 0.0000 C 0 0 -12.0739 -17.4645 0.0000 C 0 0 -18.0395 -18.1017 0.0000 C 0 0 -9.6436 -11.9793 0.0000 C 0 0 -3.1375 -2.4343 0.0000 C 0 0 -2.1492 -4.6497 0.0000 C 0 0 -1.8620 -7.2248 0.0000 C 0 0 -4.2511 -3.4361 0.0000 C 0 0 -3.6410 -4.8065 0.0000 C 0 0 -3.3532 -7.3867 0.0000 C 0 0 -3.0727 -9.9696 0.0000 C 0 0 -7.2700 -13.0360 0.0000 C 0 0 -10.2537 -13.3496 0.0000 C 0 0 -12.3544 -14.8815 0.0000 C 0 0 -13.5651 -17.6265 0.0000 C 0 0 -15.6659 -19.1584 0.0000 C 0 0 -18.6495 -19.4721 0.0000 C 0 0 -4.2391 -6.1763 0.0000 C 0 0 -3.9586 -8.7592 0.0000 C 0 0 -3.6780 -11.3421 0.0000 C 0 0 -7.8802 -14.4063 0.0000 C 0 0 -9.3720 -14.5631 0.0000 C 0 0 -5.7304 -6.3383 0.0000 C 0 0 -5.4498 -8.9212 0.0000 C 0 0 -5.1693 -11.5041 0.0000 C 0 0 -13.8457 -15.0436 0.0000 C 0 0 -14.4510 -16.4161 0.0000 C 0 0 -16.2760 -20.5287 0.0000 C 0 0 -17.7678 -20.6856 0.0000 C 0 0 -6.3357 -7.7107 0.0000 C 0 0 -6.0552 -10.2936 0.0000 C 0 0 -9.7202 -18.5124 0.0000 C 0 0 -7.6130 -16.9925 0.0000 C 0 0 -8.8427 -19.7290 0.0000 C 0 0 -6.7355 -18.2091 0.0000 C 0 0 -7.3504 -19.5773 0.0000 C 0 0 -16.5477 -17.9449 0.0000 O 0 0 -14.1736 -18.9985 0.0000 O 0 0 -9.1053 -17.1442 0.0000 O 0 0 -11.4685 -16.0921 0.0000 O 0 0 -11.7460 -13.5096 0.0000 O 0 0 -8.1518 -11.8224 0.0000 O 0 0 -7.0005 -15.6223 0.0000 O 0 0 -5.7778 -12.8760 0.0000 O 0 0 -2.8256 -0.9670 0.0000 O 0 0 0.0000 -1.5000 0.0000 O 0 0 -19.8430 -19.5975 0.0000 O 0 0 -18.7448 -17.1309 0.0000 C 0 0 -18.2559 -21.7818 0.0000 O 0 0 -15.5707 -21.4996 0.0000 O 0 0 -9.3346 -20.8235 0.0000 O 0 0 -11.3652 -18.4329 0.0000 C 0 0 -15.6440 -16.5457 0.0000 O 0 0 -10.9140 -18.6337 0.0000 C 0 0 -6.6484 -20.5506 0.0000 O 0 0 -14.5544 -14.0753 0.0000 O 0 0 -5.5417 -18.0879 0.0000 O 0 0 -10.5233 -10.7633 0.0000 C 0 0 -9.8600 -15.6594 0.0000 O 0 0 -10.0337 -9.6677 0.0000 O 0 0 -2.7656 -8.6296 0.0000 C 0 0 -0.9768 -4.3940 0.0000 C 0 0 0.4453 -2.4514 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 1 2 1 0 1 53 1 0 2 3 1 0 2 71 1 0 3 6 1 0 4 53 1 0 4 52 1 0 4 5 1 0 4 6 1 0 5 7 1 0 5 70 1 0 7 12 1 0 7 13 1 0 8 13 1 0 8 14 1 0 9 47 1 0 9 22 1 0 9 59 1 0 10 44 1 0 10 24 1 0 10 55 1 0 11 49 1 0 11 20 1 0 11 65 1 0 12 52 1 0 12 15 1 0 13 16 1 0 13 69 1 0 14 17 1 0 15 16 1 0 16 25 1 0 17 25 1 0 17 26 1 0 18 26 1 0 18 27 1 0 19 49 1 0 19 51 1 0 19 28 1 0 20 48 1 0 20 29 1 0 21 47 1 0 21 48 1 0 21 33 1 0 22 45 1 0 22 34 1 0 23 44 1 0 23 45 1 0 23 35 1 0 24 36 1 0 24 54 1 0 25 30 1 0 26 31 1 0 26 68 1 0 27 32 1 0 28 29 1 0 28 50 1 0 29 66 1 0 30 37 1 0 31 37 2 0 31 38 1 0 32 38 1 0 32 51 1 0 33 34 1 0 33 63 1 0 34 60 1 0 35 36 1 0 35 57 1 0 36 56 1 0 39 46 1 0 39 41 1 0 39 61 1 0 40 50 1 0 40 46 1 0 40 42 1 0 41 43 1 0 41 58 1 0 42 43 1 0 42 64 1 0 43 62 1 0 65 67 1 0 M END > 306864 > 50773-42-7 $$$$ SciTegic05042114222D 17 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 5 -1.2990 0.7500 0.0000 N 0 3 -1.3070 -5.2502 0.0000 C 0 0 -0.2688 -5.8520 0.0000 O 0 0 -2.6078 -5.9988 0.0000 N 0 0 -3.9078 -5.2488 0.0000 N 0 0 -4.9472 -5.8485 0.0000 O 0 0 -3.9142 -9.4482 0.0000 Cl 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 N 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9117 -8.2482 0.0000 C 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 3 14 1 0 4 7 1 0 5 7 2 0 6 7 1 0 8 10 1 0 8 9 2 0 8 15 1 0 10 11 1 0 10 16 1 0 11 12 2 0 13 17 1 0 14 15 1 0 16 17 1 0 M CHG 2 6 -1 7 1 M END > 307454 > 70015-86-0 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 2.5981 3.0000 0.0000 N 0 0 1.2990 4.9500 0.0000 O 0 0 3.6373 0.9000 0.0000 O 0 0 5.1923 6.0070 0.0000 N 0 0 -3.6373 3.6000 0.0000 N 0 0 3.8963 3.7531 0.0000 C 0 0 3.8941 5.2539 0.0000 C 0 0 5.1906 7.2070 0.0000 C 0 0 6.2326 5.4089 0.0000 C 0 0 1 4 1 0 1 2 2 0 2 5 1 0 3 15 2 0 3 4 1 0 3 13 1 0 4 6 2 0 5 7 2 0 6 7 1 0 6 9 1 0 7 10 1 0 8 13 1 0 8 9 1 0 8 14 2 0 9 11 2 0 10 12 2 0 11 12 1 0 12 17 1 0 13 18 1 0 16 19 1 0 16 20 1 0 16 21 1 0 18 19 1 0 M END > 308847 > 69408-81-7 $$$$ SciTegic05042114222D 18 19 0 0 1 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 2.8552 -0.6517 0.0000 O 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -3.1695 -0.6090 0.0000 C 0 0 -3.7175 -2.0053 0.0000 C 0 0 1 0 0 0 -2.7822 -3.1781 0.0000 C 0 0 -1.2990 -2.9545 0.0000 C 0 0 -5.2011 -2.2321 0.0000 C 0 0 -5.6379 -3.3497 0.0000 C 0 0 -5.9509 -1.2952 0.0000 C 0 0 -2.2897 1.8259 0.0000 C 0 0 1.2707 -2.6386 0.0000 O 0 0 2.2896 1.8259 0.0000 O 0 0 1 6 2 0 1 3 1 0 1 2 1 0 2 7 2 0 2 17 1 0 3 4 2 0 3 18 1 0 4 5 1 0 5 8 2 0 5 16 1 0 7 8 1 0 7 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 13 1 1 11 12 1 0 13 14 2 0 13 15 1 0 M END > 310618 $$$$ SciTegic05042114222D 28 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 3 0.0000 -1.5000 0.0000 C 0 0 2.5981 -1.5000 0.0000 C 0 0 3.8971 -0.7500 0.0000 C 0 0 3.8971 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 5.3229 -1.2135 0.0000 C 0 0 6.2045 0.0000 0.0000 C 0 0 5.9320 -2.5831 0.0000 C 0 0 7.4237 -2.7399 0.0000 C 0 0 8.3054 -1.5263 0.0000 C 0 0 7.6953 -0.1560 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8933 -3.7570 0.0000 N 0 0 -3.8934 -5.2570 0.0000 C 0 0 -5.1924 -6.0071 0.0000 C 0 0 -6.4914 -5.2571 0.0000 C 0 0 -6.4915 -3.7571 0.0000 C 0 0 -5.1925 -3.0071 0.0000 C 0 0 2.5981 -2.7000 0.0000 C 0 0 2.5981 2.7000 0.0000 C 0 0 7.9118 -3.8361 0.0000 O 0 0 5.3228 1.2135 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 10 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 17 1 0 7 8 2 0 7 25 1 0 8 9 1 0 8 11 1 0 9 10 2 0 9 28 1 0 10 26 1 0 11 12 2 0 11 13 1 0 12 16 1 0 12 28 1 0 13 14 2 0 14 15 1 0 14 27 1 0 15 16 2 0 17 18 1 0 18 19 1 0 19 20 1 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M CHG 1 5 1 M END > 311153 > 81531-60-4 $$$$ SciTegic05042114222D 10 9 0 0 0 0 999 V2000 0.8660 0.5000 0.0000 P 0 0 1.0739 -0.4781 0.0000 Au 0 0 0.1229 1.1691 0.0000 C 0 0 1.2728 1.4135 0.0000 C 0 0 1.8605 0.3955 0.0000 C 0 0 2.0250 -0.7872 0.0000 Cl 0 0 -0.8282 0.8601 0.0000 C 0 0 0.6850 2.2226 0.0000 C 0 0 2.4483 1.2045 0.0000 C 0 0 0.0000 0.0000 0.0000 H 0 0 2 1 1 0 3 1 1 0 4 1 1 0 5 1 1 0 6 2 1 0 7 3 1 0 8 4 1 0 9 5 1 0 1 10 1 0 M END > 313981 > 15529-90-5 $$$$ SciTegic05042114222D 27 31 0 0 0 0 999 V2000 2.6003 -1.4977 0.0000 O 0 0 -0.0031 -3.0008 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.2880 3.7534 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.1143 4.0030 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 -2.5981 3.0000 0.0000 N 0 0 -1.2991 3.7500 0.0000 C 0 0 -0.9876 5.2165 0.0000 C 0 0 0.5041 5.3733 0.0000 C 0 0 -1.8692 6.4288 0.0000 C 0 0 1.1144 6.7424 0.0000 C 0 0 0.2327 7.9559 0.0000 C 0 0 -1.2591 7.7991 0.0000 C 0 0 -1.8691 9.1685 0.0000 O 0 0 0.5446 9.4223 0.0000 O 0 0 -0.7544 10.1723 0.0000 C 0 0 3.6387 -0.8963 0.0000 C 0 0 -1.0432 -3.5994 0.0000 C 0 0 -3.6373 3.6000 0.0000 C 0 0 1 3 1 0 1 25 1 0 2 4 1 0 2 26 1 0 3 5 2 0 3 4 1 0 4 6 2 0 5 8 1 0 6 9 1 0 7 11 2 0 8 10 1 0 8 9 2 0 9 12 1 0 10 11 1 0 10 15 2 0 11 17 1 0 12 14 1 0 12 13 2 0 14 15 1 0 14 27 1 0 15 16 1 0 16 17 2 0 16 18 1 0 17 19 1 0 18 21 2 0 19 20 2 0 20 23 1 0 20 21 1 0 21 22 1 0 22 24 1 0 23 24 1 0 M END > 314622 > 66358-49-4 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -2.5981 6.0000 0.0000 C 0 0 -3.8972 5.2500 0.0000 C 0 0 -0.2599 5.8500 0.0000 O 0 0 -4.9364 3.1500 0.0000 O 0 0 -2.6012 7.5008 0.0000 N 0 0 -3.9021 8.2494 0.0000 C 0 0 -3.9052 9.7502 0.0000 C 0 0 -5.2060 10.4987 0.0000 N 0 0 -5.2091 11.9996 0.0000 C 0 0 -6.5099 12.7481 0.0000 C 0 0 -6.5124 13.9481 0.0000 O 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 4 6 1 0 5 7 1 0 5 6 2 0 6 9 1 0 7 8 2 0 7 11 1 0 9 12 1 0 9 10 2 0 11 14 1 0 11 12 2 0 12 13 1 0 13 16 2 0 13 18 1 0 14 15 2 0 14 17 1 0 15 16 1 0 15 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > 316157 $$$$ SciTegic05042114222D 16 17 0 0 0 0 999 V2000 3.8912 -5.2578 0.0000 C 0 0 2.8509 -5.8560 0.0000 S 0 0 5.1894 -6.0109 0.0000 N 0 0 5.5329 -7.4339 0.0000 C 0 0 6.9818 -7.0457 0.0000 C 0 0 6.5935 -5.5968 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.6375 -0.9049 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 1 2 2 0 1 3 1 0 1 16 1 0 3 4 1 0 3 6 1 0 4 5 1 0 5 6 1 0 7 8 2 0 7 16 1 0 8 9 1 0 8 15 1 0 9 10 1 0 9 14 2 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 M END > 319726 > 71555-25-4 $$$$ SciTegic05042114222D 19 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 N 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.3229 1.2135 0.0000 C 0 0 -6.2045 0.0000 0.0000 C 0 0 -5.3229 -1.2135 0.0000 C 0 0 -5.9320 2.5831 0.0000 C 0 0 -7.4237 2.7399 0.0000 C 0 0 -8.3054 1.5263 0.0000 C 0 0 -7.6953 0.1560 0.0000 C 0 0 -5.6936 -2.3548 0.0000 O 0 0 2.3383 -1.3500 0.0000 N 0 0 1 2 1 0 1 6 2 0 1 19 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 10 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 1 0 9 13 1 0 11 12 1 0 11 14 2 0 12 13 1 0 12 17 2 0 13 18 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > 320846 > 67199-66-0 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 -1.1764 -9.7848 0.0000 C 0 0 -0.7082 -8.3597 0.0000 C 0 0 -0.1764 -10.9028 0.0000 C 0 0 0.7601 -8.0526 0.0000 C 0 0 1.2919 -10.5957 0.0000 C 0 0 1.7601 -9.1707 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -2.4133 -1.7530 0.0000 N 0 0 -3.3915 -1.5450 0.0000 H 0 0 0.6890 -4.0818 0.0000 N 0 0 -2.4032 -4.1625 0.0000 O 0 0 1.2256 -6.6258 0.0000 C 0 0 2.3998 -6.3781 0.0000 O 0 0 0.2235 -5.5086 0.0000 N 0 0 2.9347 -8.9250 0.0000 O 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 5 1 0 4 21 1 0 4 6 1 0 5 6 2 0 6 24 1 0 7 19 2 0 7 9 1 0 7 10 1 0 8 11 2 0 8 10 1 0 9 20 2 0 9 17 1 0 10 12 2 0 11 15 1 0 11 13 1 0 12 17 1 0 12 14 1 0 13 14 2 0 14 16 1 0 17 18 1 0 19 23 1 0 21 22 2 0 21 23 1 0 M END > 320864 $$$$ SciTegic05042114222D 27 30 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 2.1651 -0.2500 0.0000 H 0 0 -0.8660 -2.0000 0.0000 H 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.4024 -1.7447 0.0000 H 0 0 -3.0835 2.3552 0.0000 O 0 0 -2.7140 1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.5957 0.0000 0.0000 C 0 0 -2.7140 -1.2135 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 3.8971 -0.7500 0.0000 C 0 0 5.1962 -1.5000 0.0000 C 0 0 2.5981 -1.5000 0.0000 C 0 0 5.1962 -3.0000 0.0000 C 0 0 2.5981 -3.0000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 3.8971 -3.7500 0.0000 C 0 0 1.2990 -3.7500 0.0000 C 0 0 6.4975 -3.7477 0.0000 O 0 0 7.5358 -3.1463 0.0000 C 0 0 3.9002 -5.2508 0.0000 N 0 3 2.8620 -5.8526 0.0000 O 0 5 4.9403 -5.8493 0.0000 O 0 0 -1.4230 1.9436 0.0000 C 0 0 1 2 1 1 1 10 1 0 1 13 1 0 1 16 1 0 13 3 1 6 4 5 1 1 4 8 1 0 4 13 1 0 4 12 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 8 27 1 6 9 10 1 0 11 12 1 0 13 19 1 0 14 15 2 0 14 16 1 0 15 17 1 0 16 18 2 0 17 20 2 0 17 22 1 0 18 20 1 0 18 21 1 0 19 21 1 0 20 24 1 0 22 23 1 0 24 25 1 0 24 26 2 0 M CHG 2 24 1 25 -1 M END > 321803 > 14846-62-9 $$$$ SciTegic05042114222D 25 26 0 0 0 0 999 V2000 5.1894 -6.0109 0.0000 C 0 0 6.0563 -5.5124 0.0000 H 0 0 3.8912 -5.2578 0.0000 C 0 0 3.0243 -5.7563 0.0000 H 0 0 3.8933 -3.7570 0.0000 C 0 0 4.9336 -3.1588 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 O 0 0 5.1873 -7.5117 0.0000 C 0 0 6.4837 -8.2663 0.0000 C 0 0 6.4785 -9.7663 0.0000 C 0 0 5.1769 -10.5118 0.0000 C 0 0 3.8804 -9.7573 0.0000 C 0 0 3.8856 -8.2573 0.0000 C 0 0 1.2925 -3.7494 0.0000 C 0 0 -0.0048 -2.9949 0.0000 C 0 0 -1.3074 -3.7403 0.0000 C 0 0 -2.6048 -2.9858 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -3.6463 -3.5819 0.0000 C 0 0 1 3 2 0 1 2 1 0 1 13 1 0 3 4 1 0 3 5 1 0 5 6 2 0 5 23 1 0 7 9 1 0 7 8 1 0 7 24 1 0 8 11 1 0 9 10 1 0 10 12 1 0 11 12 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 19 20 1 0 19 23 1 0 20 21 1 0 21 22 1 0 22 25 1 0 23 24 1 0 M END > 322069 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 5.6229 -8.8813 0.0000 C 0 0 5.0004 -10.2461 0.0000 C 0 0 3.5073 -10.3894 0.0000 C 0 0 2.6366 -9.1680 0.0000 N 0 0 3.2590 -7.8032 0.0000 C 0 0 4.7522 -7.6599 0.0000 C 0 0 2.3903 -6.5793 0.0000 C 0 0 3.0150 -5.2147 0.0000 N 0 0 1.1956 -6.6919 0.0000 C 0 0 2.7710 -2.6262 0.0000 C 0 0 2.1463 -3.9908 0.0000 N 0 0 3.9657 -2.5136 0.0000 Se 0 0 1.5227 0.1101 0.0000 C 0 0 1.9080 -1.4126 0.0000 N 0 0 0.8439 -0.6604 0.0000 C 0 0 -0.6054 -0.7338 0.0000 C 0 0 -0.6788 1.0274 0.0000 C 0 0 0.0000 2.2749 0.0000 C 0 0 0.0183 0.7705 0.0000 C 0 0 -1.6511 -1.4677 0.0000 C 0 0 -1.3209 0.0367 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 7 9 1 0 8 11 1 0 10 11 1 0 10 12 2 0 10 14 1 0 13 14 1 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 20 1 0 17 18 1 0 18 19 1 0 19 21 1 0 20 21 1 0 M END > 323241 > 79514-43-5 $$$$ SciTegic05042114222D 35 34 0 0 0 0 999 V2000 23.3998 0.0000 0.0000 O 0 0 26.0029 -1.5008 0.0000 O 0 0 28.5998 0.0000 0.0000 O 0 0 28.8606 1.3502 0.0000 O 0 0 29.8998 1.9500 0.0000 O 0 5 29.8998 0.7500 0.0000 P 0 0 31.1998 0.0000 0.0000 O 0 0 35.0997 0.7500 0.0000 N 0 3 22.0998 0.7500 0.0000 C 0 0 20.7998 0.0000 0.0000 C 0 0 19.4998 0.7500 0.0000 C 0 0 18.1999 0.0000 0.0000 C 0 0 16.8999 0.7500 0.0000 C 0 0 15.5999 0.0000 0.0000 C 0 0 14.2999 0.7500 0.0000 C 0 0 12.9999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 C 0 0 24.6998 0.7500 0.0000 C 0 0 25.9998 0.0000 0.0000 C 0 0 27.0430 -2.0994 0.0000 C 0 0 27.2998 0.7500 0.0000 C 0 0 32.4998 0.7500 0.0000 C 0 0 33.7997 0.0000 0.0000 C 0 0 36.1392 0.1503 0.0000 C 0 0 36.1389 1.3502 0.0000 C 0 0 35.0997 1.9500 0.0000 C 0 0 1 9 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 6 1 0 3 30 1 0 4 6 2 0 5 6 1 0 6 7 1 0 7 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 8 35 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 27 28 1 0 28 30 1 0 31 32 1 0 M CHG 2 5 -1 8 1 M END > 324368 > 65492-82-2 $$$$ SciTegic05042114222D 82 85 0 0 1 0 999 V2000 -1.1499 -1.6499 0.0000 C 0 0 -1.5499 -1.2500 0.0000 C 0 0 -1.1499 -2.0499 0.0000 O 0 0 -0.7500 -1.2500 0.0000 O 0 0 -0.3499 -1.6499 0.0000 C 0 0 -0.3499 -2.0499 0.0000 C 0 0 -0.7500 -2.4500 0.0000 C 0 0 0.0499 -2.4500 0.0000 C 0 0 0.0499 -1.2500 0.0000 C 0 0 0.0499 -0.8499 0.0000 O 0 0 0.4499 -1.6499 0.0000 C 0 0 0.4499 -2.0499 0.0000 C 0 0 0.8499 -1.2500 0.0000 C 0 0 0.8499 -0.8499 0.0000 O 0 0 1.2500 -1.6499 0.0000 N 0 0 1.6499 -1.2500 0.0000 C 0 0 2.0499 -1.6499 0.0000 C 0 0 2.0499 -2.0499 0.0000 C 0 0 1.6499 -2.4500 0.0000 C 0 0 2.4500 -2.4500 0.0000 C 0 0 1.6499 -0.4499 0.0000 C 0 0 2.0499 -0.0499 0.0000 N 0 0 2.4500 -0.4499 0.0000 C 0 0 2.8499 -0.0499 0.0000 C 0 0 2.8499 0.3499 0.0000 C 0 0 2.0499 0.3499 0.0000 C 0 0 1.6499 0.7500 0.0000 C 0 0 1.6499 1.1499 0.0000 O 0 0 1.2500 0.3499 0.0000 N 0 0 1.2500 -0.0499 0.0000 C 0 0 0.8499 0.7500 0.0000 C 0 0 0.8499 1.1499 0.0000 C 0 0 0.8499 1.5499 0.0000 C 0 0 0.4499 1.9499 0.0000 C 0 0 0.4499 2.3499 0.0000 C 0 0 0.8499 2.7500 0.0000 C 0 0 1.2500 2.3499 0.0000 C 0 0 1.2500 1.9499 0.0000 C 0 0 0.4499 0.3499 0.0000 C 0 0 0.4499 -0.0499 0.0000 O 0 0 -0.3499 0.3499 0.0000 O 0 0 -0.7500 0.7500 0.0000 C 0 0 -0.7500 1.1499 0.0000 C 0 0 -1.1499 0.3499 0.0000 C 0 0 -1.5499 0.7500 0.0000 C 0 0 -1.5499 1.1499 0.0000 O 0 0 -1.9499 0.3499 0.0000 N 0 0 -1.9499 -0.4499 0.0000 C 0 0 2 0 0 0 -1.5499 -0.8499 0.0000 C 0 0 2 0 0 0 -1.1499 -0.4499 0.0000 O 0 0 -1.9499 -0.8499 0.0000 H 0 0 -2.3499 -0.8499 0.0000 C 0 0 2 0 0 0 -1.1499 1.5499 0.0000 N 0 0 -1.1499 1.9499 0.0000 C 0 0 -1.5499 2.3499 0.0000 C 0 0 -1.9499 1.9499 0.0000 N 0 0 -1.9499 1.5499 0.0000 C 0 0 -2.3499 2.3499 0.0000 C 0 0 -2.3499 2.7500 0.0000 O 0 0 -2.7500 1.9499 0.0000 C 0 0 -1.5499 2.7500 0.0000 C 0 0 -1.1499 3.1499 0.0000 C 0 0 -1.1499 3.5499 0.0000 C 0 0 -0.7500 2.7500 0.0000 C 0 0 -2.7500 1.5499 0.0000 C 0 0 -3.5499 1.5499 0.0000 C 0 0 -3.5499 1.9499 0.0000 C 0 0 -3.1499 2.3499 0.0000 N 0 0 -3.1499 2.7500 0.0000 C 0 0 -2.7500 3.1499 0.0000 O 0 0 -3.5499 3.1499 0.0000 C 0 0 -3.5499 3.5499 0.0000 O 0 0 -3.9499 2.7500 0.0000 C 0 0 -2.3499 -1.2500 0.0000 C 0 0 -2.7500 -0.4499 0.0000 C 0 0 -3.1499 -0.8499 0.0000 C 0 0 -2.3499 -0.4499 0.0000 H 0 0 2.0499 -0.8499 0.0000 O 0 0 0.8499 3.1499 0.0000 O 0 0 1.2500 3.5499 0.0000 C 0 0 -0.7500 1.9499 0.0000 O 0 0 -1.5499 -0.4499 0.0000 H 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 49 1 0 4 5 1 0 5 6 1 0 5 9 1 0 6 7 1 0 6 8 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 16 21 1 0 17 18 1 0 18 19 1 0 18 20 1 0 21 22 1 0 21 78 2 0 22 23 1 0 22 26 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 39 1 0 32 33 1 0 33 34 2 0 33 38 1 0 34 35 1 0 35 36 2 0 36 37 1 0 36 79 1 0 37 38 2 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 44 53 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 48 52 1 0 48 51 1 1 50 49 1 0 49 82 1 1 52 74 1 0 52 75 1 0 52 77 1 1 53 54 1 0 54 55 1 0 54 81 2 0 55 56 1 0 55 61 1 0 56 57 1 0 56 58 1 0 58 59 2 0 58 60 1 0 60 65 1 0 60 68 1 0 61 62 1 0 62 63 1 0 62 64 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 2 0 69 71 1 0 71 72 1 0 71 73 1 0 75 76 1 0 79 80 1 0 M END > 325319 > 77327-05-0 $$$$ SciTegic05042114222D 14 13 0 0 1 0 999 V2000 10.3999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 S 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 1.9500 0.0000 O 0 0 3.9000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 1 0 0 0 5.4608 1.3502 0.0000 N 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 O 0 0 1.3000 1.9500 0.0000 O 0 0 2.6000 -1.2000 0.0000 N 0 0 11.4393 0.5997 0.0000 C 0 0 1 2 1 0 1 14 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 2 0 4 9 2 0 5 7 1 0 7 8 1 0 8 10 1 0 8 13 1 6 10 11 2 0 10 12 1 0 M END > 326231 > 83730-53-4 $$$$ SciTegic05042114222D 12 13 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 Cl 0 0 0.0000 -2.7000 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.3115 2.9665 0.0000 N 0 0 -2.4133 1.7530 0.0000 N 0 0 -3.3915 1.5449 0.0000 H 0 0 -1.8032 3.1233 0.0000 C 0 0 1 3 1 0 2 4 1 0 3 5 1 0 3 4 2 0 4 6 1 0 5 7 2 0 6 8 2 0 7 9 1 0 7 8 1 0 8 10 1 0 9 12 2 0 10 12 1 0 10 11 1 0 M END > 326397 > 6478-73-5 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 1.7530 0.0000 N 0 0 -3.3915 1.5449 0.0000 H 0 0 -0.3115 2.9665 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.6890 4.0818 0.0000 N 0 0 -2.4033 4.1625 0.0000 O 0 0 0.2234 5.5086 0.0000 N 0 0 0.7600 8.0526 0.0000 C 0 0 -0.7083 8.3597 0.0000 C 0 0 1.7600 9.1707 0.0000 C 0 0 -1.1765 9.7848 0.0000 C 0 0 1.2918 10.5957 0.0000 C 0 0 -0.1765 10.9028 0.0000 C 0 0 -0.6420 12.3296 0.0000 N 0 0 1.2255 6.6258 0.0000 C 0 0 0.1593 13.2229 0.0000 C 0 0 -1.8162 12.5773 0.0000 C 0 0 1 2 1 0 2 4 2 0 2 3 1 0 3 5 2 0 4 7 1 0 5 8 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 12 1 0 9 10 1 0 11 13 2 0 11 12 1 0 12 14 2 0 13 15 1 0 15 23 2 0 16 18 2 0 16 17 1 0 16 23 1 0 17 19 2 0 18 20 1 0 19 21 1 0 20 21 2 0 21 22 1 0 22 24 1 0 22 25 1 0 M END > 327697 $$$$ SciTegic05042114222D 40 45 0 0 0 0 999 V2000 2.3304 1.3202 0.0000 C 0 0 3.0911 2.6130 0.0000 C 0 0 1.6668 3.1651 0.0000 C 0 0 4.2563 3.5709 0.0000 C 0 0 4.2596 1.6409 0.0000 C 0 0 1.4603 4.6583 0.0000 C 0 0 0.4741 2.2561 0.0000 C 0 0 0.1472 3.3547 0.0000 C 0 0 4.0281 5.0534 0.0000 C 0 0 5.6568 3.0334 0.0000 C 0 0 5.4221 4.5150 0.0000 O 0 0 5.5024 3.1536 0.0000 C 0 0 4.9090 0.2812 0.0000 O 0 0 0.0627 5.2277 0.0000 C 0 0 2.6301 5.5971 0.0000 O 0 0 -0.9155 2.8208 0.0000 C 0 0 -1.3826 3.2499 0.0000 O 0 0 4.7371 -1.1959 0.0000 C 0 0 -1.1212 4.3067 0.0000 C 0 0 -1.4054 5.7274 0.0000 O 0 0 -2.0982 1.8968 0.0000 O 0 0 -2.8773 2.9029 0.0000 C 0 0 5.9928 -2.0164 0.0000 O 0 0 3.4717 -1.9358 0.0000 C 0 0 -2.6002 4.0566 0.0000 C 0 0 -3.7257 4.1399 0.0000 O 0 0 -3.7360 1.6384 0.0000 C 0 0 2.1214 -1.3486 0.0000 C 0 0 -5.0756 2.3400 0.0000 O 0 0 -4.2956 0.2210 0.0000 C 0 0 1.0713 -2.3756 0.0000 C 0 0 -5.7606 0.5433 0.0000 C 0 0 -4.3819 -1.2913 0.0000 C 0 0 -0.3785 -2.1435 0.0000 C 0 0 -3.8184 -2.6809 0.0000 C 0 0 -1.1433 -3.4017 0.0000 C 0 0 -2.6031 -3.5243 0.0000 O 0 0 -0.3539 -4.6772 0.0000 O 0 0 -1.8903 0.4113 0.0000 H 0 0 -6.3431 1.5379 0.0000 H 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 1 0 3 8 1 0 4 9 1 0 4 10 1 0 4 11 1 0 5 12 1 0 5 13 1 0 6 14 1 0 6 15 1 0 7 16 1 0 8 17 1 0 13 18 1 0 14 19 1 0 14 20 1 0 16 21 1 0 17 22 1 0 18 23 2 0 18 24 1 0 19 25 1 0 22 26 2 0 22 27 1 0 24 28 2 0 27 29 1 0 27 30 1 0 28 31 1 0 30 32 1 0 30 33 1 0 31 34 2 0 33 35 1 0 34 36 1 0 35 37 1 0 36 38 2 0 9 12 1 0 9 15 1 0 10 11 1 0 16 19 1 0 19 20 1 0 36 37 1 0 21 39 1 0 29 40 1 0 M END > 328166 > 87532-30-7 $$$$ SciTegic05042114222D 59 65 0 0 0 0 999 V2000 -3.4730 -5.4973 0.0000 H 0 0 -2.6078 -5.9988 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.4418 -5.7517 0.0000 H 0 0 -2.3421 -3.1476 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -0.0031 -3.0008 0.0000 O 0 0 -7.5668 -2.2472 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -7.5720 -0.7472 0.0000 C 0 0 -8.8612 -4.5025 0.0000 O 0 0 -8.8633 -3.0017 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 1.5000 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 -12.7732 3.7432 0.0000 C 0 0 -8.8736 -0.0017 0.0000 O 0 0 -10.1649 -2.2562 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -14.0713 1.4901 0.0000 O 0 0 -12.7731 2.2432 0.0000 C 0 0 -10.1702 -0.7562 0.0000 C 0 0 -11.4741 4.4932 0.0000 C 0 0 -1.8433 -1.9048 0.0000 C 0 0 -2.2503 -0.4635 0.0000 C 0 0 -2.2503 1.9635 0.0000 O 0 0 -3.2969 -1.5347 0.0000 O 0 0 -3.6769 1.5000 0.0000 C 0 0 -3.6769 0.0000 0.0000 C 0 0 -11.4710 -0.0076 0.0000 O 0 0 -11.4740 1.4932 0.0000 C 0 0 -10.1751 3.7433 0.0000 O 0 0 -4.9746 -0.7500 0.0000 C 0 0 -4.9746 2.2500 0.0000 C 0 0 -10.1750 2.2432 0.0000 C 0 0 -6.2737 1.5000 0.0000 C 0 0 -6.2737 0.0000 0.0000 C 0 0 -7.5750 2.2477 0.0000 C 0 0 -8.8737 1.4955 0.0000 O 0 0 -7.5771 3.4477 0.0000 O 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9099 -8.2497 0.0000 C 0 0 -3.9099 -9.7497 0.0000 C 0 0 -2.6109 -10.4997 0.0000 C 0 0 -1.3119 -9.7497 0.0000 C 0 0 -1.3118 -8.2497 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -6.5255 -2.8437 0.0000 O 0 0 -6.5348 -0.1437 0.0000 C 0 0 -10.1594 -5.2556 0.0000 C 0 0 -10.1578 -6.4556 0.0000 O 0 0 -11.1997 -4.6574 0.0000 C 0 0 -13.8124 4.3432 0.0000 O 0 0 -11.2020 -2.8598 0.0000 O 0 0 -11.4742 5.6932 0.0000 C 0 0 -14.0691 -0.0108 0.0000 C 0 0 -15.1071 -0.6129 0.0000 O 0 0 -13.0288 -0.6089 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 42 1 0 3 6 1 0 3 4 1 0 5 6 2 0 6 7 1 0 7 14 1 0 8 10 1 0 8 12 1 0 8 49 1 0 9 13 1 0 9 14 1 0 9 48 1 0 10 18 1 0 10 50 1 0 11 12 1 0 11 51 1 0 12 19 1 0 13 15 1 0 14 16 1 0 15 20 1 0 16 20 1 0 17 24 1 0 17 22 1 0 17 54 1 0 18 23 1 0 19 23 1 0 19 55 1 0 20 26 1 0 20 27 1 0 21 22 1 0 21 57 1 0 22 32 1 0 23 31 1 0 24 33 1 0 24 56 1 0 25 28 1 0 25 26 1 0 26 28 1 0 26 30 1 0 27 29 1 0 29 30 1 0 29 35 1 0 30 34 1 0 31 32 1 0 32 36 1 0 33 36 1 0 34 38 1 0 35 37 1 0 36 40 1 0 37 38 1 0 37 39 1 0 39 41 2 0 39 40 1 0 42 43 2 0 42 47 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 51 52 2 0 51 53 1 0 57 58 2 0 57 59 1 0 M END > 328426 > 63166-73-4 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -3.8933 3.7570 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 7.2070 0.0000 Cl 0 0 0.0031 -3.0008 0.0000 N 0 3 -1.0351 -3.6026 0.0000 O 0 5 1.0432 -3.5993 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -2.8542 5.8570 0.0000 C 0 0 1 2 2 0 1 3 1 0 2 5 1 0 3 4 2 0 3 16 1 0 4 6 1 0 4 19 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 20 1 0 9 11 2 0 9 10 1 0 9 20 1 0 10 13 2 0 10 21 1 0 11 12 1 0 12 14 2 0 13 14 1 0 13 15 1 0 16 17 1 0 16 18 2 0 M CHG 2 16 1 17 -1 M END > 328477 > 73544-88-4 $$$$ SciTegic05042114222D 13 15 0 0 0 0 999 V2000 3.6065 0.0000 0.0000 O 0 0 2.7248 -1.2135 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 Se 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.7751 2.9439 0.0000 N 0 0 2.2669 2.7872 0.0000 O 0 0 -2.3238 -0.1256 0.0000 C 0 0 -1.2708 -1.9497 0.0000 C 0 0 1 7 1 0 1 2 1 0 2 3 2 0 3 5 1 0 3 4 1 0 4 6 1 0 5 7 2 0 5 8 1 0 6 9 1 0 6 12 1 0 6 13 1 0 7 11 1 0 8 10 2 0 8 9 1 0 10 11 1 0 M END > 328587 > 30990-64-8 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 9.5303 5.2987 0.0000 C 0 0 9.0016 7.8416 0.0000 O 0 0 9.0621 3.8736 0.0000 C 0 0 8.5302 6.4167 0.0000 C 0 0 7.0620 6.1096 0.0000 C 0 0 7.5938 3.5665 0.0000 C 0 0 6.5937 4.6845 0.0000 C 0 0 4.6588 2.9478 0.0000 N 0 0 4.8065 0.0000 0.0000 O 0 0 3.1904 2.6376 0.0000 N 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 2.7248 -1.2135 0.0000 N 0 0 3.0337 -2.1646 0.0000 H 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 10.4711 8.1467 0.0000 C 0 0 10.8480 9.2860 0.0000 C 0 0 6.2620 7.0040 0.0000 O 0 0 5.1253 4.3743 0.0000 C 0 0 1 3 2 0 1 4 1 0 2 4 1 0 2 23 1 0 3 6 1 0 4 5 2 0 5 7 1 0 5 25 1 0 6 7 2 0 7 26 1 0 8 10 1 0 8 26 2 0 9 11 2 0 10 12 2 0 11 12 1 0 11 13 1 0 12 16 1 0 13 15 1 0 13 14 1 0 15 16 1 0 15 17 2 0 16 18 2 0 17 21 1 0 17 19 1 0 18 20 1 0 20 22 1 0 20 21 2 0 23 24 1 0 M END > 329277 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 8.6782 5.8866 0.0000 C 0 0 8.9852 4.4184 0.0000 C 0 0 7.1869 6.0483 0.0000 O 0 0 6.5937 4.6845 0.0000 C 0 0 7.6837 3.6727 0.0000 C 0 0 4.6588 2.9478 0.0000 N 0 0 3.1904 2.6376 0.0000 N 0 0 4.8065 0.0000 0.0000 O 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 2.7248 -1.2135 0.0000 N 0 0 3.0337 -2.1646 0.0000 H 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 5.1253 4.3743 0.0000 C 0 0 1 3 1 0 1 2 2 0 2 5 1 0 3 4 1 0 4 5 2 0 4 21 1 0 6 7 1 0 6 21 2 0 7 10 2 0 8 9 2 0 9 10 1 0 9 11 1 0 10 14 1 0 11 13 1 0 11 12 1 0 13 14 1 0 13 15 2 0 14 16 2 0 15 18 1 0 15 17 1 0 16 19 1 0 18 19 2 0 19 20 1 0 M END > 329279 $$$$ SciTegic05042114222D 30 32 0 0 0 0 999 V2000 3.5438 1.8449 0.0000 O 0 0 4.7005 0.8887 0.0000 C 0 0 2.1334 1.3210 0.0000 C 0 0 6.1074 1.4115 0.0000 C 0 0 4.5005 -0.2945 0.0000 O 0 0 1.1382 2.4398 0.0000 C 0 0 2.0840 -0.2172 0.0000 C 0 0 7.2641 0.4552 0.0000 C 0 0 6.3074 2.5947 0.0000 C 0 0 -0.2964 2.2389 0.0000 C 0 0 1.4256 3.9201 0.0000 C 0 0 1.1813 -1.4860 0.0000 C 0 0 8.3890 0.8733 0.0000 C 0 0 -0.9780 3.5833 0.0000 O 0 0 -0.7749 0.8708 0.0000 C 0 0 2.5087 4.4367 0.0000 C 0 0 0.1014 4.6249 0.0000 C 0 0 2.3798 -1.4252 0.0000 C 0 0 -0.2354 -2.1332 0.0000 C 0 0 2.1659 -2.6092 0.0000 O 0 0 -2.2029 0.6336 0.0000 C 0 0 -0.0651 5.8132 0.0000 O 0 0 -0.0429 -3.6151 0.0000 O 0 0 -1.7585 -1.9018 0.0000 C 0 0 1.4269 -3.9145 0.0000 C 0 0 -2.9708 1.5558 0.0000 C 0 0 -2.6954 -0.7296 0.0000 C 0 0 0.7152 -4.8807 0.0000 C 0 0 2.6229 -4.0122 0.0000 C 0 0 -3.8794 -0.9253 0.0000 O 0 0 1 2 1 0 1 3 1 0 2 4 1 0 2 5 2 0 3 6 1 0 3 7 1 0 4 8 2 0 4 9 1 0 6 10 1 0 6 11 1 0 7 12 1 0 8 13 1 0 10 14 1 0 10 15 1 0 11 16 2 0 11 17 1 0 12 18 1 0 12 19 1 0 12 20 1 0 15 21 2 0 17 22 2 0 19 23 1 0 19 24 1 0 20 25 1 0 21 26 1 0 21 27 1 0 25 28 1 0 25 29 1 0 27 30 2 0 14 17 1 0 23 25 1 0 24 27 1 0 M END > 329696 $$$$ SciTegic05042114222D 40 41 0 0 0 0 999 V2000 -1.0900 4.1100 0.0000 C 0 0 -3.7000 4.1100 0.0000 C 0 0 2.8100 1.8400 0.0000 C 0 0 -1.0900 -1.9100 0.0000 C 0 0 0.2000 -2.6700 0.0000 C 0 0 -3.2700 -2.0600 0.0000 C 0 0 4.1200 -0.4000 0.0000 C 0 0 -2.4000 4.8600 0.0000 C 0 0 -1.0900 2.6000 0.0000 C 0 0 -3.7000 2.6000 0.0000 C 0 0 -2.4000 1.8400 0.0000 C 0 0 1.5100 2.6000 0.0000 C 0 0 0.1702 -4.1842 0.0000 C 0 0 5.4200 0.3400 0.0000 C 0 0 4.1200 2.6000 0.0000 C 0 0 0.2000 1.8400 0.0000 C 0 0 5.4200 1.8400 0.0000 C 0 0 5.4300 -2.6700 0.0000 C 0 0 -3.7000 -0.4000 0.0000 C 0 0 4.1200 -1.9100 0.0000 C 0 0 -5.0100 0.3400 0.0000 C 0 0 4.1067 -4.9234 0.0000 C 0 0 -6.0464 -0.2649 0.0000 O 0 0 4.1053 -6.1234 0.0000 O 0 0 2.8083 -4.1706 0.0000 O 0 0 -2.7484 0.3310 0.0000 C 0 0 0.5722 -3.0536 0.0000 C 0 0 3.0801 -2.5089 0.0000 C 0 0 6.4574 -0.2632 0.0000 C 0 0 1.5120 3.8000 0.0000 C 0 0 -2.4020 6.0600 0.0000 O 0 0 -2.4020 0.6400 0.0000 O 0 0 -5.0100 1.8400 0.0000 N 0 0 5.1468 -4.3249 0.0000 N 0 0 0.1935 0.3394 0.0000 O 0 0 1.2297 -0.2659 0.0000 C 0 0 4.1217 4.1006 0.0000 O 0 0 3.0836 4.7025 0.0000 C 0 0 6.7211 2.5882 0.0000 O 0 0 6.7239 3.7882 0.0000 C 0 0 1 8 2 0 1 9 1 0 2 8 1 0 2 10 2 0 3 12 1 0 3 15 1 0 4 5 2 0 4 6 1 0 5 13 1 0 6 19 2 0 7 14 1 0 7 20 2 0 8 31 1 0 9 11 2 0 9 16 1 0 10 11 1 0 10 33 1 0 11 32 1 0 12 16 1 0 12 30 1 0 13 18 1 0 13 27 1 0 14 17 1 0 14 29 1 0 15 17 1 0 15 37 1 0 16 35 1 0 17 39 1 0 18 20 1 0 18 25 1 0 19 21 1 0 19 26 1 0 20 28 1 0 21 23 2 0 21 33 1 0 22 24 2 0 22 25 1 0 22 34 1 0 35 36 1 0 37 38 1 0 39 40 1 0 M END > 330500 > 73341-73-8 $$$$ SciTegic05042114222D 30 32 0 0 0 0 999 V2000 7.9786 2.7678 0.0000 C 0 0 6.3476 3.4434 0.0000 C 0 0 9.6976 -1.6615 0.0000 C 0 0 2.0000 1.5269 0.0000 C 0 0 7.6738 -3.4434 0.0000 C 0 0 2.1710 -1.1641 0.0000 C 0 0 4.0205 -2.1686 0.0000 C 0 0 8.1075 -0.4083 0.0000 C 0 0 4.0105 1.2887 0.0000 C 0 0 7.6541 1.1369 0.0000 C 0 0 5.4237 2.0607 0.0000 C 0 0 7.2715 0.2130 0.0000 C 0 0 5.0410 1.1369 0.0000 C 0 0 7.9795 -1.4421 0.0000 C 0 0 3.3701 0.4673 0.0000 C 0 0 6.3476 -0.1697 0.0000 C 0 0 5.4237 0.2130 0.0000 C 0 0 6.1957 -1.2002 0.0000 C 0 0 7.0172 -1.8407 0.0000 C 0 0 3.7687 -0.4951 0.0000 C 0 0 4.8024 -0.6231 0.0000 C 0 0 7.2715 2.0607 0.0000 C 0 0 6.3476 2.4434 0.0000 C 0 0 5.4506 -1.8672 0.0000 O 0 0 8.7752 -2.0478 0.0000 O 0 0 2.3791 0.6016 0.0000 O 0 0 6.8828 -2.8316 0.0000 O 0 0 3.1630 -1.2908 0.0000 O 0 0 4.8576 -1.6216 0.0000 O 0 0 5.5779 -2.4740 0.0000 H 0 0 1 22 1 0 2 23 1 0 3 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 7 29 1 0 8 12 2 0 8 14 1 0 9 13 2 0 9 15 1 0 10 12 1 0 10 22 1 0 11 13 1 0 11 23 1 0 12 16 1 0 13 17 1 0 14 19 2 0 14 25 1 0 15 20 2 0 15 26 1 0 16 17 1 0 16 18 2 0 17 21 2 0 18 19 1 0 18 24 1 0 19 27 1 0 20 21 1 0 20 28 1 0 21 29 1 0 22 23 1 0 24 30 1 0 M END > 330515 > 69363-14-0 $$$$ SciTegic05042114222D 39 43 0 0 0 0 999 V2000 -2.3740 -0.7494 0.0000 O 0 0 -1.7849 1.3345 0.0000 O 0 0 -1.8390 0.2745 0.0000 O 0 0 -1.8930 -1.8314 0.0000 O 0 0 -1.8930 -2.3405 0.0000 C 0 0 -1.2840 0.8305 0.0000 C 0 0 -1.3440 -0.7494 0.0000 C 0 0 -1.3440 -1.2824 0.0000 C 0 0 -1.2830 -2.3405 0.0000 O 0 0 -1.2840 1.3345 0.0000 C 0 0 -0.7830 0.3295 0.0000 C 0 0 -0.7830 -0.1884 0.0000 C 0 0 -0.7460 1.8725 0.0000 C 0 0 -0.7460 2.4285 0.0000 O 0 0 -0.7849 -1.8424 0.0000 C 0 0 -0.2820 0.8305 0.0000 C 0 0 -0.2530 -0.7184 0.0000 C 0 0 -0.2530 -1.3105 0.0000 C 0 0 -0.2820 1.4095 0.0000 C 0 0 0.3069 -0.7184 0.0000 C 0 0 0.2459 0.8305 0.0000 C 0 0 0.7760 0.3005 0.0000 C 0 0 0.7760 -0.2494 0.0000 C 0 0 0.7619 1.3465 0.0000 O 0 0 1.2430 1.3465 0.0000 C 0 0 1.2430 1.7865 0.0000 O 0 0 -2.8940 -0.7494 0.0000 C 0 0 -2.3150 1.3345 0.0000 C 0 0 -2.3489 0.2745 0.0000 C 0 0 -0.1860 2.4285 0.0000 C 0 0 1.3059 -0.2494 0.0000 C 0 0 1.3259 0.3005 0.0000 C 0 0 1.3059 0.8305 0.0000 O 0 0 1.7930 1.3465 0.0000 C 0 0 2.1230 1.9180 0.0000 C 0 0 2.7830 1.9180 0.0000 C 0 0 3.1130 1.3465 0.0000 C 0 0 2.7830 0.7749 0.0000 C 0 0 2.1230 0.7749 0.0000 C 0 0 1 7 1 0 1 27 1 0 2 10 1 0 2 28 1 0 3 6 1 0 3 29 1 0 4 8 1 0 4 5 1 0 5 9 1 0 6 10 1 0 6 11 2 0 7 12 2 0 7 8 1 0 8 15 2 0 9 15 1 0 10 13 2 0 11 16 1 0 11 12 1 0 12 17 1 0 13 14 1 0 13 19 1 0 14 30 1 0 15 18 1 0 16 19 2 0 16 21 1 0 17 20 1 0 17 18 2 0 20 23 1 0 21 24 1 0 21 22 1 0 22 23 1 0 22 32 1 0 22 33 1 0 23 31 1 0 24 25 1 0 25 26 2 0 25 34 1 0 34 35 2 0 34 39 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 M END > 330516 $$$$ SciTegic05042114222D 44 48 0 0 0 0 999 V2000 -1.0600 -1.0400 0.0000 C 0 0 2 0 0 0 -2.0200 0.2800 0.0000 C 0 0 -1.0600 -2.4900 0.0000 C 0 0 2 0 0 0 0.2020 1.1912 0.0000 O 0 0 0.2075 -4.7200 0.0000 O 0 0 1.4900 -1.0400 0.0000 C 0 0 1 0 0 0 1.4875 0.4600 0.0000 H 0 0 2.7600 -3.2200 0.0000 C 0 0 2 0 0 0 4.7600 0.2300 0.0000 O 0 0 5.4904 -1.4225 0.0000 H 0 0 -2.3300 -3.2200 0.0000 C 0 0 -3.6100 -2.4900 0.0000 C 0 0 -3.6100 -1.0400 0.0000 C 0 0 2 0 0 0 -2.3300 -0.3100 0.0000 C 0 0 0.2100 -0.3100 0.0000 C 0 0 1 0 0 0 0.2100 -3.2200 0.0000 C 0 0 1.4900 -2.4900 0.0000 C 0 0 1 0 0 0 4.0400 -2.4900 0.0000 C 0 0 4.0400 -1.0400 0.0000 C 0 0 2 0 0 0 2.7600 -0.3100 0.0000 C 0 0 1 0 0 0 3.4900 0.9500 0.0000 C 0 0 -4.9070 -0.2866 0.0000 O 0 0 -4.9070 -3.2434 0.0000 C 0 0 -1.0600 0.4600 0.0000 O 0 0 -1.1094 3.4362 0.0000 C 0 0 -2.4110 4.1820 0.0000 C 0 0 -2.4160 5.6819 0.0000 C 0 0 -1.1195 6.4363 0.0000 C 0 0 0.1820 5.6907 0.0000 C 0 0 0.1871 4.1907 0.0000 C 0 0 -1.0631 -0.9888 0.0000 O 0 0 -2.3639 -0.2402 0.0000 C 0 0 -2.3670 1.2598 0.0000 O 0 0 -3.6616 -0.9925 0.0000 C 0 0 -1.1014 1.9354 0.0000 C 0 0 -2.3966 1.1788 0.0000 O 0 0 -0.9882 1.3687 0.0000 C 0 0 -3.4648 0.6831 0.0000 C 0 0 1.4875 -3.9900 0.0000 C 0 0 2.5124 -1.7910 0.0000 O 0 0 1.1044 -2.3107 0.0000 C 0 0 0.8498 -3.7890 0.0000 O 0 0 -0.0487 -1.3514 0.0000 C 0 0 2.7575 -4.7200 0.0000 O 0 0 1 2 1 0 1 14 1 0 1 15 1 0 1 24 1 6 2 11 1 0 2 37 1 0 2 38 1 0 3 11 1 0 3 16 1 0 3 31 1 1 15 4 1 1 4 35 1 0 5 16 2 0 6 7 1 1 6 17 1 0 6 20 1 0 6 15 1 0 8 17 1 0 8 18 1 0 8 44 1 6 19 9 1 0 9 21 1 0 19 10 1 1 11 12 2 0 12 13 1 0 12 23 1 0 13 14 1 0 13 22 1 1 16 17 1 0 17 39 1 6 18 19 1 0 19 20 1 0 20 21 1 0 20 40 1 1 25 26 2 0 25 30 1 0 25 35 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 31 32 1 0 32 33 2 0 32 34 1 0 35 36 2 0 40 41 1 0 41 42 2 0 41 43 1 0 M END > 330753 > 27548-93-2 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 -1.3070 -5.2502 0.0000 O 0 0 -2.3421 -3.1476 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 N 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.4641 1.0000 0.0000 H 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -2.6103 -7.1988 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 2.3383 1.3500 0.0000 N 0 0 -1.2991 5.2507 0.0000 C 0 0 -0.0012 6.0029 0.0000 C 0 0 -0.0036 7.5029 0.0000 C 0 0 -1.3039 8.2509 0.0000 C 0 0 -2.6017 7.4988 0.0000 C 0 0 -2.5993 5.9988 0.0000 C 0 0 1 3 1 0 1 15 1 0 2 3 2 0 3 17 1 0 4 6 1 0 4 5 2 0 5 7 1 0 5 17 1 0 6 8 2 0 6 18 1 0 7 9 2 0 8 10 1 0 8 9 1 0 9 11 1 0 10 14 2 0 11 13 1 0 11 12 1 0 13 14 1 0 14 19 1 0 15 16 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 M END > 330770 > 82585-91-9 $$$$ SciTegic05042114222D 29 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 6.0000 0.0000 C 0 0 -3.8972 5.2500 0.0000 C 0 0 -2.6012 7.5008 0.0000 C 0 0 -1.5630 8.1026 0.0000 O 0 0 -6.5130 14.2489 0.0000 N 0 0 -3.9021 8.2494 0.0000 N 0 0 -3.9052 9.7502 0.0000 C 0 0 -2.8670 10.3520 0.0000 C 0 0 -5.2060 10.4987 0.0000 C 0 0 -5.2091 11.9996 0.0000 C 0 0 -6.5099 12.7481 0.0000 C 0 0 -7.8139 14.9975 0.0000 C 0 0 -7.8163 16.1975 0.0000 C 0 0 -5.2161 15.0043 0.0000 C 0 0 -5.2199 16.2043 0.0000 C 0 0 1 3 1 0 1 2 2 0 2 4 1 0 3 5 2 0 4 6 2 0 5 8 1 0 5 6 1 0 6 9 1 0 7 8 2 0 8 11 1 0 9 12 1 0 9 10 2 0 11 13 1 0 11 12 2 0 12 14 1 0 13 15 2 0 14 16 2 0 15 17 1 0 15 16 1 0 17 18 2 0 17 20 1 0 19 25 1 0 19 26 1 0 19 28 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 26 27 1 0 28 29 1 0 M END > 331757 > 81086-04-6 $$$$ SciTegic05042114222D 53 57 0 0 1 0 999 V2000 3.3754 -2.3750 0.0000 O 0 0 4.0254 -2.0000 0.0000 C 0 0 4.0254 -1.2500 0.0000 C 0 0 3.3754 -0.8750 0.0000 C 0 0 2 0 0 0 2.7254 -1.2500 0.0000 C 0 0 2.7254 -2.0000 0.0000 C 0 0 1 0 0 0 4.6744 -2.3750 0.0000 O 0 0 3.3754 -0.1250 0.0000 C 0 0 2.0765 -2.3750 0.0000 C 0 0 2 0 0 0 1.4265 -2.0000 0.0000 C 0 0 1.4265 -1.2500 0.0000 C 0 0 0.7774 -0.8750 0.0000 C 0 0 1 0 0 0 0.7774 -0.1250 0.0000 C 0 0 2 0 0 0 2.0765 1.3750 0.0000 C 0 0 1.4265 1.0000 0.0000 O 0 0 2.0765 2.1250 0.0000 O 0 0 0.7774 1.3750 0.0000 C 0 0 2 0 0 0 0.1274 1.0000 0.0000 C 0 0 0.7774 2.1250 0.0000 C 0 0 2 0 0 0 0.1274 0.2500 0.0000 C 0 0 1 0 0 0 2.0765 -1.6250 0.0000 H 0 0 2.7254 -2.7500 0.0000 H 0 0 3.3754 -1.6250 0.0000 H 0 0 3.3754 0.6250 0.0000 O 0 0 2.7254 1.0000 0.0000 C 0 0 1 0 0 0 2.7254 0.2500 0.0000 C 0 0 1 0 0 0 0.1304 -0.5040 0.0000 O 0 0 0.4025 -1.5249 0.0000 H 0 0 3.2565 1.5299 0.0000 H 0 0 2.0765 -0.1250 0.0000 H 0 0 1.4265 0.2500 0.0000 C 0 0 2.0765 -3.1250 0.0000 C 0 0 -0.5215 0.6250 0.0000 H 0 0 0.7774 0.6250 0.0000 H 0 0 0.1274 2.5000 0.0000 C 0 0 1 0 0 0 1.4265 2.5000 0.0000 C 0 0 -0.5215 2.1250 0.0000 C 0 0 0.1274 3.2500 0.0000 O 0 0 -0.5220 3.6250 0.0000 C 0 0 -1.1714 2.5000 0.0000 C 0 0 -0.5215 1.3750 0.0000 C 0 0 -1.8205 2.1250 0.0000 C 0 0 -2.4705 2.5000 0.0000 C 0 0 -3.1195 2.1250 0.0000 C 0 0 -3.7695 2.5000 0.0000 C 0 0 -4.4184 2.1250 0.0000 C 0 0 -5.1634 2.2430 0.0000 C 0 0 -5.5054 1.5709 0.0000 O 0 0 -4.9724 1.0379 0.0000 C 0 0 -4.3004 1.3799 0.0000 N 0 0 -5.0894 0.2969 0.0000 C 0 0 -3.1195 1.3750 0.0000 C 0 0 -0.5215 -0.1250 0.0000 O 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 7 2 0 3 4 1 0 4 5 1 0 4 8 1 0 4 23 1 1 5 6 1 0 6 9 1 0 6 22 1 1 8 26 1 0 9 10 1 0 9 21 1 6 9 32 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 27 1 0 12 28 1 1 13 20 1 0 13 27 1 0 13 31 1 6 14 15 1 0 14 16 2 0 14 25 1 0 15 17 1 0 17 18 1 0 17 19 1 0 17 34 1 1 18 20 1 0 19 35 1 0 19 36 1 6 20 33 1 1 20 53 1 0 25 24 1 0 26 24 1 0 25 26 1 0 25 29 1 6 26 30 1 1 35 37 1 0 35 38 1 1 37 40 2 0 37 41 1 0 38 39 1 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 44 52 1 0 45 46 1 0 46 47 2 0 46 50 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 M END > 332598 > 90996-54-6 $$$$ SciTegic05042114222D 96105 0 0 0 0 999 V2000 3.2896 1.6183 0.0000 O 0 0 2.2400 2.2000 0.0000 C 0 0 2.2400 4.0900 0.0000 C 0 0 1.1200 1.5000 0.0000 C 0 0 3.5200 4.9100 0.0000 C 0 0 0.3400 3.6200 0.0000 O 0 0 0.9800 4.9100 0.0000 C 0 0 -0.2100 2.0900 0.0000 C 0 0 2.2400 0.2200 0.0000 C 0 0 3.5200 6.3300 0.0000 C 0 0 4.7900 4.0900 0.0000 C 0 0 0.9800 6.3300 0.0000 C 0 0 -1.3134 1.6182 0.0000 O 0 0 1.6725 -0.8374 0.0000 O 0 5 3.5087 0.0501 0.0000 C 0 0 4.8471 7.0328 0.0000 O 0 0 2.2400 7.1400 0.0000 C 0 0 4.7900 2.6800 0.0000 C 0 0 -0.3476 7.0322 0.0000 C 0 0 2.3252 -0.1482 0.0000 C 0 0 0.9800 -2.0000 0.0000 C 0 0 3.5200 -2.0000 0.0000 C 0 0 5.8016 2.0345 0.0000 C 0 0 3.5200 2.0900 0.0000 C 0 0 -0.3932 8.2313 0.0000 O 0 0 0.9800 -3.4100 0.0000 C 0 0 -0.2700 -1.0600 0.0000 C 0 0 3.5200 -3.4100 0.0000 C 0 0 4.7900 -1.0600 0.0000 C 0 0 7.3416 2.8719 0.0000 O 0 0 3.5200 0.7900 0.0000 C 0 0 -0.2700 -4.2400 0.0000 C 0 0 2.2400 -4.2400 0.0000 C 0 0 -0.2677 0.1400 0.0000 C 0 0 -1.5300 -2.0000 0.0000 C 0 0 5.8616 -1.6001 0.0000 C 0 0 4.7900 0.2200 0.0000 C 0 0 8.6593 2.1536 0.0000 C 0 0 -0.2684 -5.7393 0.0000 O 0 0 -1.5300 -3.4100 0.0000 C 0 0 9.9411 2.9329 0.0000 C 0 0 8.6935 0.6539 0.0000 O 0 0 -1.5669 -6.4919 0.0000 C 0 0 -2.5864 -3.9791 0.0000 C 0 0 11.2568 2.2126 0.0000 C 0 0 10.0092 -0.0664 0.0000 C 0 0 -1.5675 -7.9919 0.0000 C 0 0 -2.8658 -5.7415 0.0000 O 0 0 12.2950 1.6107 0.0000 C 0 0 11.2909 0.7130 0.0000 C 0 0 10.0365 -1.2661 0.0000 C 0 0 -2.8668 -8.7415 0.0000 C 0 0 -4.1651 -6.4911 0.0000 C 0 0 12.6059 -0.0104 0.0000 N 0 0 -2.8642 -10.2423 0.0000 O 0 0 -4.1656 -7.9911 0.0000 C 0 0 -5.2041 -5.8907 0.0000 C 0 0 12.6379 -1.5109 0.0000 C 0 0 -1.5636 -10.9913 0.0000 C 0 0 -5.4671 -8.7384 0.0000 O 0 0 13.9528 -2.2343 0.0000 O 0 0 11.6115 -2.1326 0.0000 O 0 0 -1.5589 -12.4914 0.0000 O 0 0 -0.2669 -10.2373 0.0000 C 0 0 -6.7655 -7.9856 0.0000 C 0 0 13.9784 -3.4340 0.0000 C 0 0 -0.2575 -13.2373 0.0000 C 0 0 1.0345 -10.9833 0.0000 C 0 0 -6.7630 -6.7856 0.0000 C 0 0 -7.8062 -8.5832 0.0000 O 0 0 -0.2538 -14.4373 0.0000 C 0 0 1.0392 -12.4833 0.0000 C 0 0 2.3428 -13.2269 0.0000 O 0 0 3.6391 -12.4706 0.0000 C 0 0 4.9432 -13.2120 0.0000 C 0 0 3.6294 -10.9706 0.0000 O 0 0 6.2372 -12.4535 0.0000 C 0 0 4.9234 -10.2121 0.0000 C 0 0 7.5404 -13.1980 0.0000 O 0 0 6.2274 -10.9535 0.0000 C 0 0 4.9155 -9.0121 0.0000 C 0 0 7.5206 -10.1919 0.0000 O 0 0 7.5086 -8.6911 0.0000 C 0 0 8.8000 -7.9280 0.0000 O 0 0 6.2021 -7.9541 0.0000 C 0 0 8.7850 -6.4281 0.0000 C 0 0 6.1870 -6.4542 0.0000 C 0 0 9.8181 -5.8177 0.0000 C 0 0 7.4785 -5.6912 0.0000 C 0 0 7.4603 -4.1905 0.0000 O 0 0 11.1867 3.6913 0.0000 N 0 3 12.2121 4.3147 0.0000 O 0 5 10.1344 4.2680 0.0000 O 0 0 4.8846 8.0321 0.0000 H 0 0 7.5455 -14.1980 0.0000 H 0 0 6.5886 -3.7004 0.0000 H 0 0 1 2 2 0 2 3 1 0 2 4 1 0 3 5 1 0 3 6 1 0 3 7 1 0 4 8 1 0 4 9 2 0 5 10 1 0 5 11 1 0 6 8 1 0 7 12 1 0 8 13 2 0 9 14 1 0 9 15 1 0 10 16 1 0 10 17 1 0 11 18 2 0 12 19 1 0 12 17 2 0 15 20 1 0 15 21 1 0 15 22 1 0 18 23 1 0 18 24 1 0 19 25 2 0 21 26 1 0 21 27 1 0 22 28 1 0 22 29 1 0 24 30 1 0 24 31 1 0 26 32 1 0 26 33 1 0 27 34 1 0 27 35 1 0 28 33 2 0 29 36 1 0 29 37 2 0 30 38 1 0 31 37 1 0 32 39 1 0 32 40 1 0 35 40 1 0 38 41 1 0 38 42 1 0 39 43 1 0 40 44 1 0 41 45 1 0 42 46 1 0 43 47 1 0 43 48 1 0 45 49 1 0 45 50 1 0 45 91 1 0 46 51 1 0 46 50 1 0 47 52 1 0 48 53 1 0 50 54 1 0 52 55 1 0 52 56 1 0 53 57 1 0 53 56 1 0 54 58 1 0 55 59 1 0 56 60 1 0 58 61 1 0 58 62 2 0 59 63 1 0 59 64 1 0 60 65 1 0 61 66 1 0 63 67 1 0 64 68 1 0 65 69 1 0 65 70 2 0 67 71 1 0 67 72 1 0 68 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 74 76 1 0 75 77 1 0 76 78 1 0 77 79 1 0 77 80 1 0 78 81 1 0 78 80 1 0 80 82 1 0 82 83 1 0 83 84 1 0 83 85 1 0 84 86 1 0 85 87 1 0 86 88 1 0 86 89 1 0 87 89 1 0 89 90 1 0 91 92 1 0 91 93 2 0 16 94 1 0 79 95 1 0 90 96 1 0 M CHG 3 14 -1 91 1 92 -1 M END > 333856 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.4133 1.7530 0.0000 N 0 0 -3.3915 1.5449 0.0000 H 0 0 -0.3115 2.9665 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.5701 4.1788 0.0000 C 0 0 -2.4135 4.4923 0.0000 C 0 0 -0.0400 5.5491 0.0000 C 0 0 -1.5318 5.7059 0.0000 C 0 0 3.0385 7.5807 0.0000 O 0 0 2.3346 6.6088 0.0000 C 0 0 -2.1420 7.0762 0.0000 C 0 0 0.8416 6.7626 0.0000 C 0 0 -1.2603 8.2897 0.0000 C 0 0 0.2315 8.1329 0.0000 N 0 0 1.7635 4.0531 0.0000 C 0 0 -3.6070 4.6175 0.0000 C 0 0 2.8246 5.5134 0.0000 N 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 4 6 1 0 5 9 1 0 5 6 2 0 6 7 1 0 7 10 1 0 7 8 1 0 9 11 2 0 9 10 1 0 10 12 2 0 11 13 1 0 11 21 1 0 12 14 1 0 12 22 1 0 13 18 1 0 13 14 2 0 14 17 1 0 15 16 2 0 16 18 1 0 16 23 1 0 17 19 2 0 18 20 2 0 19 20 1 0 M END > 335142 > 85619-28-9 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 2.8542 -5.8570 0.0000 O 0 0 5.1924 -6.0070 0.0000 N 0 0 6.4915 -5.2571 0.0000 C 0 0 7.5307 -5.8571 0.0000 S 0 0 6.4915 -3.7571 0.0000 N 0 0 5.1925 -3.0070 0.0000 C 0 0 5.1925 -1.8070 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 17 2 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 M END > 336628 > 97534-21-9 $$$$ SciTegic05042114222D 26 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.3115 2.9665 0.0000 C 0 0 0.4916 3.8582 0.0000 O 0 0 -1.8032 3.1233 0.0000 C 0 0 -2.4133 1.7530 0.0000 C 0 0 -2.6838 4.3363 0.0000 C 0 0 -3.9040 1.5956 0.0000 N 0 0 -2.0737 5.7066 0.0000 C 0 0 -4.1756 4.1795 0.0000 C 0 0 -4.7857 2.8092 0.0000 C 0 0 -2.9554 6.9201 0.0000 C 0 0 -5.9791 2.6837 0.0000 O 0 0 -4.4472 6.7633 0.0000 C 0 0 -5.0573 5.3930 0.0000 C 0 0 -4.5167 0.2256 0.0000 C 0 0 -6.0094 0.0702 0.0000 C 0 0 -6.6238 -1.2983 0.0000 C 0 0 -8.1160 -1.4505 0.0000 C 0 0 -8.9940 -0.2343 0.0000 C 0 0 -8.3798 1.1341 0.0000 C 0 0 -6.8875 1.2864 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 4 6 1 0 5 7 1 0 5 6 2 0 6 10 1 0 7 8 2 0 7 9 1 0 9 11 1 0 9 10 2 0 10 12 1 0 11 13 1 0 11 14 2 0 12 15 1 0 12 20 1 0 13 16 2 0 14 19 1 0 14 15 1 0 15 17 2 0 16 18 1 0 18 19 2 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > 337612 > 81721-80-4 $$$$ SciTegic05042114222D 32 36 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -5.1981 1.5045 0.0000 N 0 0 1.2960 5.2539 0.0000 N 0 0 -3.8971 3.7500 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -3.8972 5.2500 0.0000 C 0 0 -2.5981 6.0000 0.0000 C 0 0 2.5921 7.5079 0.0000 C 0 0 -7.7980 1.5090 0.0000 C 0 0 -7.9308 2.9903 0.0000 N 0 0 4.7529 8.0606 0.0000 H 0 0 3.8026 8.3719 0.0000 N 0 0 1.3756 8.3634 0.0000 N 0 0 -9.1516 0.8927 0.0000 N 0 0 -9.3571 -0.0860 0.0000 H 0 0 3.3341 9.7969 0.0000 C 0 0 1.8341 9.7916 0.0000 C 0 0 -10.1514 2.0109 0.0000 C 0 0 -9.3969 3.3073 0.0000 C 0 0 1.2982 3.7531 0.0000 C 0 0 -3.8994 0.7522 0.0000 C 0 0 2.5942 6.0070 0.0000 N 0 0 -6.4994 0.7567 0.0000 N 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 4 6 1 0 5 7 2 0 5 6 1 0 6 8 2 0 7 9 1 0 7 29 1 0 8 10 1 0 8 30 1 0 9 14 1 0 9 10 2 0 10 13 1 0 11 30 2 0 11 32 1 0 12 29 2 0 12 31 1 0 13 15 2 0 14 16 2 0 15 16 1 0 17 21 1 0 17 22 2 0 17 31 1 0 18 19 2 0 18 23 1 0 18 32 1 0 19 28 1 0 20 21 1 0 21 25 1 0 22 26 1 0 23 27 1 0 23 24 1 0 25 26 1 0 27 28 1 0 M END > 337766 > 71439-68-4 $$$$ SciTegic05042114222D 53 59 0 0 1 0 999 V2000 6.2354 -3.6000 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 2.1651 -0.2500 0.0000 H 0 0 -0.8660 -2.0000 0.0000 H 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 -1.4024 -1.7447 0.0000 H 0 0 -2.7140 1.2135 0.0000 C 0 0 2 0 0 0 -6.6473 0.7011 0.0000 O 0 0 -10.1270 -1.2129 0.0000 S 0 0 -14.5274 -0.2668 0.0000 N 0 0 -14.6160 -4.2344 0.0000 C 0 0 -13.1497 -4.5507 0.0000 C 0 0 -12.1427 -3.4390 0.0000 C 0 0 -15.0752 -2.8065 0.0000 C 0 0 -12.6019 -2.0110 0.0000 C 0 0 -14.0682 -1.6948 0.0000 C 0 0 -11.5948 -0.8994 0.0000 C 0 0 -12.0541 0.5286 0.0000 C 0 0 -11.0470 1.6403 0.0000 C 0 0 -13.5204 0.8449 0.0000 C 0 0 -13.9796 2.2729 0.0000 C 0 0 -11.5063 3.0683 0.0000 C 0 0 -12.9726 3.3846 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 -3.5957 0.0000 0.0000 C 0 0 -2.7140 -1.2135 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 2.5981 -1.5000 0.0000 C 0 0 1 0 0 0 3.8971 -0.7500 0.0000 C 0 0 5.1962 -1.5000 0.0000 C 0 0 5.1962 -3.0000 0.0000 C 0 0 2.5981 -3.0000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 3.8971 -3.7500 0.0000 C 0 0 1.2990 -3.7500 0.0000 C 0 0 2.5981 -0.3000 0.0000 C 0 0 -1.4230 1.9436 0.0000 C 0 0 -4.1735 1.5014 0.0000 C 0 0 -4.5428 2.6431 0.0000 O 0 0 -5.1795 0.3876 0.0000 C 0 0 -1.8961 2.0915 0.0000 O 0 0 -7.6533 -0.4126 0.0000 C 0 0 -7.2839 -1.5544 0.0000 O 0 0 -9.1210 -0.0991 0.0000 C 0 0 -13.4291 4.8143 0.0000 N 0 0 -12.6222 5.7025 0.0000 C 0 0 -14.6017 5.0693 0.0000 C 0 0 -15.6213 -5.3488 0.0000 N 0 0 -15.2523 -6.4907 0.0000 C 0 0 -16.7947 -5.0979 0.0000 C 0 0 1 34 2 0 2 27 2 0 3 4 1 1 3 27 1 0 3 31 1 0 3 30 1 0 30 5 1 6 6 7 1 1 6 25 1 0 6 30 1 0 6 29 1 0 8 25 1 0 8 28 1 0 8 41 1 0 8 44 1 1 9 43 1 0 9 45 1 0 10 18 1 0 10 47 1 0 11 21 2 0 11 17 1 0 12 15 2 0 12 13 1 0 12 51 1 0 13 14 2 0 14 16 1 0 15 17 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 20 23 2 0 21 22 1 0 22 24 2 0 23 24 1 0 24 48 1 0 25 26 1 0 25 40 1 6 26 27 1 0 28 29 1 0 30 36 1 0 31 32 1 0 31 35 1 0 31 39 1 6 32 33 2 0 33 34 1 0 34 37 1 0 35 37 2 0 35 38 1 0 36 38 1 0 41 42 2 0 41 43 1 0 45 46 2 0 45 47 1 0 48 49 1 0 48 50 1 0 51 52 1 0 51 53 1 0 M END > 337851 > 83759-46-0 $$$$ SciTegic05042114222D 20 24 0 0 0 0 999 V2000 -5.3229 -1.2136 0.0000 O 0 0 -5.3229 1.2135 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 3 1.6025 3.6408 0.0000 C 0 0 0.2322 3.0307 0.0000 C 0 0 2.8161 2.7592 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2045 0.0000 0.0000 C 0 0 1.7279 4.8343 0.0000 O 0 0 1 14 1 0 1 19 1 0 2 11 1 0 2 19 1 0 3 12 2 0 3 16 1 0 3 18 1 0 4 5 2 0 4 6 1 0 4 20 1 0 5 7 1 0 6 8 2 0 7 9 2 0 7 12 1 0 8 12 1 0 8 13 1 0 9 10 1 0 9 15 1 0 10 11 2 0 11 14 1 0 13 16 1 0 14 17 2 0 15 18 2 0 15 17 1 0 M CHG 1 3 1 M END > 338259 > 2121-16-6 $$$$ SciTegic05042114222D 16 16 0 0 0 0 999 V2000 3.6384 -0.9011 0.0000 Cl 0 0 2.5984 -2.7004 0.0000 Cl 0 0 2.5988 -1.5004 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 3.6377 -2.1009 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.6003 -1.4978 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -3.6387 -0.8963 0.0000 C 0 0 1.0432 3.5994 0.0000 C 0 0 1 3 1 0 2 3 1 0 3 5 1 0 3 6 1 0 4 7 1 0 6 8 1 0 6 7 2 0 7 9 1 0 8 11 2 0 9 12 2 0 9 10 1 0 10 15 1 0 11 13 1 0 11 12 1 0 12 14 1 0 13 16 1 0 M END > 338720 > 108030-77-9 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 6.4883 -5.2623 0.0000 C 0 0 5.1877 -6.0097 0.0000 C 0 0 6.4914 -3.7623 0.0000 C 0 0 3.8902 -5.2570 0.0000 C 0 0 5.1939 -3.0097 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 S 0 0 1.5568 -2.4023 0.0000 O 0 0 1.5548 -3.6021 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 2.7000 0.0000 Cl 0 0 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 7.5263 -5.8645 0.0000 N 0 0 2.5973 -1.5031 0.0000 N 0 0 1 2 2 0 1 3 1 0 1 21 1 0 2 4 1 0 3 5 2 0 4 6 2 0 5 6 1 0 6 7 1 0 7 9 2 0 7 8 2 0 7 22 1 0 10 11 1 0 10 13 2 0 10 22 1 0 11 12 2 0 12 15 1 0 13 14 1 0 14 15 2 0 14 16 1 0 15 17 1 0 16 19 2 0 17 18 1 0 17 20 2 0 19 20 1 0 M END > 339004 > 97919-22-7 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 F 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -6.4920 -0.7636 0.0000 N 0 0 -11.6940 0.4275 0.0000 O 0 0 -11.6919 -0.7725 0.0000 C 0 0 -12.9906 -1.5248 0.0000 C 0 0 -12.9855 -3.0248 0.0000 C 0 0 -14.2923 -0.7793 0.0000 C 0 0 -14.2820 -3.7793 0.0000 C 0 0 -15.5888 -1.5338 0.0000 C 0 0 -15.5836 -3.0338 0.0000 C 0 0 -16.6208 -3.6373 0.0000 F 0 0 -2.6003 1.4977 0.0000 C 0 0 -2.6024 2.6977 0.0000 O 0 0 -7.7907 -1.5158 0.0000 C 0 0 -9.0919 -0.7681 0.0000 C 0 0 -10.3906 -1.5203 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 3 5 1 0 4 6 2 0 5 7 2 0 6 7 1 0 7 23 1 0 8 10 1 0 8 9 1 0 8 23 1 0 9 11 1 0 10 12 1 0 11 13 1 0 12 13 1 0 13 25 1 0 14 15 2 0 15 16 1 0 15 27 1 0 16 18 2 0 16 17 1 0 17 19 2 0 18 20 1 0 19 21 1 0 20 21 2 0 21 22 1 0 23 24 1 0 25 26 1 0 26 27 1 0 M END > 343513 > 38077-12-2 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 2.4133 -1.7530 0.0000 O 0 0 1.8032 -3.1233 0.0000 C 0 0 0.3114 -2.9665 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5951 3.0039 0.0000 P 0 0 2.5972 1.5031 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 O 0 0 -2.5981 1.5000 0.0000 C 0 0 3.8933 3.7570 0.0000 N 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 4.9500 0.0000 O 0 0 5.1876 7.2109 0.0000 Cl 0 0 7.5348 3.1700 0.0000 Cl 0 0 1.5568 2.4023 0.0000 N 0 0 3.8912 5.2578 0.0000 C 0 0 5.1959 3.0116 0.0000 C 0 0 5.1894 6.0109 0.0000 C 0 0 6.4933 3.7661 0.0000 C 0 0 1 5 1 0 1 2 1 0 2 3 2 0 3 6 1 0 4 7 2 0 5 9 2 0 5 6 1 0 6 10 2 0 7 15 1 0 7 8 1 0 7 21 1 0 8 9 1 0 9 11 1 0 10 12 1 0 11 13 1 0 11 12 2 0 12 14 1 0 13 16 1 0 14 17 2 0 15 22 1 0 15 23 1 0 16 18 2 0 16 17 1 0 19 24 1 0 20 25 1 0 22 24 1 0 23 25 1 0 M END > 345081 > 88181-19-5 $$$$ SciTegic05042114222D 40 45 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 -1.2978 -3.7529 0.0000 C 0 0 -1.2955 -5.2529 0.0000 C 0 0 0.0048 -6.0009 0.0000 C 0 0 1.3026 -5.2488 0.0000 C 0 0 1.3002 -3.7488 0.0000 C 0 0 -2.5981 -3.0050 0.0000 C 0 0 -3.8959 -3.7571 0.0000 C 0 0 -3.8935 -5.2571 0.0000 C 0 0 -2.5933 -6.0050 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 O 0 0 -5.1961 -3.0091 0.0000 O 0 0 -6.4940 -3.7612 0.0000 C 0 0 -6.4916 -5.2612 0.0000 C 0 0 -5.1914 -6.0091 0.0000 C 0 0 -5.1962 2.7000 0.0000 O 0 0 -5.1895 -7.2091 0.0000 O 0 0 0.0067 -7.2009 0.0000 O 0 0 -2.5914 -7.2050 0.0000 O 0 0 -2.5981 2.7000 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 -7.5344 1.3500 0.0000 C 0 0 -7.5344 -1.3500 0.0000 C 0 0 -7.5342 -3.1629 0.0000 C 0 0 -7.5299 -5.8629 0.0000 C 0 0 2.3385 -3.1472 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 1 2 1 0 1 6 2 0 1 40 1 0 2 3 2 0 3 4 1 0 3 34 1 0 4 5 2 0 4 17 1 0 5 6 1 0 5 20 1 0 6 7 1 0 7 8 1 0 7 12 2 0 8 9 2 0 8 13 1 0 9 10 1 0 9 16 1 0 10 11 2 0 10 31 1 0 11 12 1 0 12 39 1 0 13 14 2 0 14 15 1 0 14 25 1 0 15 16 2 0 15 28 1 0 16 32 1 0 17 18 2 0 17 33 1 0 18 19 1 0 18 21 1 0 19 20 2 0 19 24 1 0 21 22 1 0 21 29 2 0 22 23 1 0 22 35 1 0 23 24 1 0 23 36 1 0 25 26 1 0 26 27 1 0 26 37 1 0 27 28 1 0 27 38 1 0 28 30 2 0 M END > 345647 > 75514-37-3 $$$$ SciTegic05042114222D 4 3 0 0 0 0 999 V2000 0.2606 0.1503 0.0000 O 0 0 1.3000 0.7500 0.0000 Se 0 0 2.3394 0.1503 0.0000 O 0 5 1.3000 1.9500 0.0000 O 0 5 1 2 2 0 2 3 1 0 2 4 1 0 M CHG 2 3 -1 4 -1 M END > 347466 > 10102-18-8 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 3.8971 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 5.1962 1.5000 0.0000 C 0 0 5.1961 3.0000 0.0000 C 0 0 3.8971 3.7500 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 N 0 0 6.4944 0.7470 0.0000 O 0 0 6.4943 3.7531 0.0000 O 0 0 3.9002 5.2509 0.0000 O 0 0 -1.0393 3.6000 0.0000 O 0 0 -0.3114 -2.9665 0.0000 O 0 0 -2.4133 -1.7530 0.0000 O 0 0 1.2990 4.7500 0.0000 H 0 0 6.4930 -0.2530 0.0000 H 0 0 6.4929 4.7531 0.0000 H 0 0 4.7669 5.7496 0.0000 H 0 0 1 5 2 0 1 7 1 0 2 6 2 0 2 8 1 0 3 20 1 0 3 21 1 0 4 9 1 0 4 13 2 0 5 6 1 0 5 13 1 0 6 14 1 0 7 8 2 0 7 20 1 0 8 21 1 0 9 10 1 0 9 16 1 0 10 11 1 0 10 17 1 0 11 12 1 0 11 18 1 0 12 13 1 0 12 15 1 0 14 15 1 0 14 19 2 0 15 22 1 0 16 23 1 0 17 24 1 0 18 25 1 0 M END > 349155 > 19622-83-4 $$$$ SciTegic05042114222D 25 28 0 0 1 0 999 V2000 0.3114 7.4665 0.0000 O 0 0 2.4133 6.2530 0.0000 O 0 0 -3.6373 3.6000 0.0000 O 0 0 -2.1651 0.2500 0.0000 H 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 0.8660 2.0000 0.0000 H 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 1.8032 7.6233 0.0000 C 0 0 -2.3383 5.8500 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 -2.5981 1.5000 0.0000 N 0 0 2.3383 -1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 0.0000 -2.7000 0.0000 O 0 0 1 15 1 0 1 19 1 0 2 13 1 0 2 19 1 0 3 17 2 0 10 4 1 1 5 6 1 0 5 7 1 0 5 23 1 6 6 8 1 0 6 21 1 1 7 9 1 0 7 25 1 1 8 10 1 0 8 11 1 0 8 16 1 6 9 10 1 0 9 24 1 1 10 22 1 0 11 12 2 0 11 14 1 0 12 13 1 0 13 15 2 0 14 18 2 0 14 17 1 0 15 18 1 0 17 22 1 0 18 20 1 0 M END > 349156 > 96203-70-2 $$$$ SciTegic05042114222D 12 12 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 O 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.6332 -2.2426 0.0000 C 0 0 -3.1255 -2.0835 0.0000 C 0 0 -1.1470 -3.3397 0.0000 O 0 0 -4.0102 -3.2959 0.0000 C 0 0 -5.5026 -3.1369 0.0000 C 0 0 -6.2099 -4.1062 0.0000 O 0 0 -5.9887 -2.0398 0.0000 C 0 0 1 2 1 0 1 5 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 M END > 349438 > 32954-58-8 $$$$ SciTegic05042114222D 31 36 0 0 0 0 999 V2000 -2.1275 2.2600 0.0000 O 0 0 -2.1274 -3.1200 0.0000 O 0 0 0.0900 2.6100 0.0000 N 0 0 1.2100 -1.0900 0.0000 N 0 0 1.2100 4.7800 0.0000 O 0 0 3.4300 0.3400 0.0000 N 0 0 -1.0200 4.7800 0.0000 C 0 0 -1.0200 3.3400 0.0000 C 0 0 1.2100 3.3400 0.0000 C 0 0 2.3100 2.6100 0.0000 C 0 0 2.3100 1.0600 0.0000 C 0 0 1.2900 1.7800 0.0000 C 0 0 1.2100 0.3400 0.0000 C 0 0 -2.1300 1.0600 0.0000 C 0 0 -3.2500 0.3400 0.0000 C 0 0 -1.0200 0.3400 0.0000 C 0 0 0.0900 1.0600 0.0000 C 0 0 3.4300 -1.0900 0.0000 C 0 0 -3.2500 -1.0900 0.0000 C 0 0 -1.0200 -1.0900 0.0000 C 0 0 -2.1300 -1.9200 0.0000 C 0 0 0.0900 -1.9200 0.0000 C 0 0 2.3100 -1.9200 0.0000 C 0 0 -4.5857 -1.7793 0.0000 O 0 0 -4.6429 -2.9780 0.0000 C 0 0 -4.3033 0.9150 0.0000 C 0 0 -0.9601 -4.0143 0.0000 O 0 0 0.0819 -3.4192 0.0000 C 0 0 2.3001 -3.4192 0.0000 C 0 0 2.2921 -4.6192 0.0000 N 0 0 4.4833 0.9150 0.0000 C 0 0 1 14 2 0 2 21 2 0 3 8 1 0 3 9 1 0 3 17 1 0 4 13 1 0 4 22 1 0 4 23 1 0 5 7 1 0 5 9 1 0 6 11 1 0 6 18 1 0 6 31 1 0 7 8 1 0 9 10 1 0 10 11 1 0 10 12 1 0 11 13 1 0 12 18 1 0 13 17 1 0 14 15 1 0 14 16 1 0 15 19 2 0 15 26 1 0 16 20 2 0 16 17 1 0 18 23 1 0 19 21 1 0 19 24 1 0 20 21 1 0 20 22 1 0 22 28 1 0 23 29 1 0 24 25 1 0 27 28 1 0 29 30 3 0 M END > 349644 > 82423-05-0 $$$$ SciTegic05042114222D 31 34 0 0 0 0 999 V2000 -14.0345 3.5965 0.0000 C 0 0 -1.5630 3.6021 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -3.9134 8.2492 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6119 7.5033 0.0000 C 0 0 -5.2100 7.4951 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.6072 6.0033 0.0000 C 0 0 -5.2052 5.9951 0.0000 C 0 0 -12.9950 1.4967 0.0000 C 0 0 -11.6963 3.7469 0.0000 C 0 0 -11.6958 0.7469 0.0000 C 0 0 -10.3971 2.9971 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -12.9952 2.9967 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.9038 5.2491 0.0000 C 0 0 -10.3969 1.4971 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9014 3.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -6.4970 0.7465 0.0000 N 0 0 -2.6012 3.0004 0.0000 N 0 0 -9.0972 -0.4531 0.0000 O 0 0 -8.0580 0.1466 0.0000 O 0 0 -7.7969 1.4967 0.0000 O 0 0 -9.0970 0.7469 0.0000 S 0 0 1 19 1 0 2 27 1 0 3 5 2 0 3 6 1 0 4 7 2 0 4 8 1 0 5 9 1 0 6 10 2 0 7 11 1 0 8 12 2 0 9 20 2 0 10 20 1 0 11 21 2 0 12 21 1 0 13 15 2 0 13 19 1 0 14 16 1 0 14 19 2 0 15 22 1 0 16 22 2 0 17 23 1 0 17 25 1 0 18 24 1 0 18 25 1 0 20 23 1 0 21 24 1 0 22 31 1 0 23 27 1 0 24 27 1 0 25 26 2 0 26 30 1 0 28 31 2 0 29 31 2 0 30 31 1 0 M END > 351306 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 1.8032 -3.1233 0.0000 C 0 0 2.4133 -1.7530 0.0000 O 0 0 0.3114 -2.9665 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -7.7980 1.4850 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 -7.7876 -1.5212 0.0000 O 0 0 -3.8939 -0.7546 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -5.1821 -3.0099 0.0000 O 0 0 -7.8004 2.6850 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -7.7817 -2.7212 0.0000 C 0 0 1.3039 3.7494 0.0000 C 0 0 -2.6024 2.6977 0.0000 C 0 0 -4.1399 -3.6048 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 2.3470 5.8487 0.0000 O 0 0 1 2 1 0 1 3 1 0 2 4 1 0 3 5 1 0 4 7 2 0 4 5 1 0 5 8 2 0 6 12 1 0 6 20 1 0 7 9 1 0 8 10 1 0 9 13 1 0 9 10 2 0 10 21 1 0 11 14 2 0 11 12 1 0 12 15 2 0 13 23 1 0 14 17 1 0 14 21 1 0 15 18 1 0 15 16 1 0 16 22 1 0 17 18 2 0 18 19 1 0 19 25 1 0 21 24 1 0 23 26 1 0 26 27 1 0 M END > 352876 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 3.6065 0.0000 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 -2.7000 0.0000 N 0 0 2.7248 -1.2135 0.0000 N 0 0 2.2051 3.7579 0.0000 O 0 0 2.9890 5.0368 0.0000 C 0 0 4.4475 4.6864 0.0000 C 0 0 4.5650 3.1911 0.0000 C 0 0 3.1884 2.6409 0.0000 C 0 0 2.4129 6.4199 0.0000 C 0 0 1.2230 6.5749 0.0000 O 0 0 5.5842 2.5576 0.0000 O 0 0 5.3601 5.4657 0.0000 O 0 0 1 4 2 0 1 10 1 0 2 3 2 0 2 5 1 0 2 10 1 0 3 4 1 0 3 8 1 0 4 15 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 2 0 11 12 1 0 11 15 1 0 12 13 1 0 12 16 1 0 13 14 1 0 13 19 1 0 14 15 1 0 14 18 1 0 16 17 1 0 M END > 352890 > 77691-03-3 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 353527 $$$$ SciTegic05042114222D 37 41 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 O 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1962 -1.5000 0.0000 C 0 0 -5.1961 -3.0000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -7.7942 -1.5000 0.0000 C 0 0 -7.7942 -3.0000 0.0000 C 0 0 -6.4952 -3.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 -2.5981 2.7000 0.0000 O 0 0 -6.4905 3.7508 0.0000 C 0 0 -5.1926 2.9988 0.0000 C 0 0 -7.7907 3.0029 0.0000 C 0 0 -5.1950 1.4988 0.0000 O 0 0 -7.7931 1.5029 0.0000 C 0 0 -6.4952 0.7507 0.0000 C 0 0 -6.4886 4.9508 0.0000 O 0 0 -8.8164 2.3801 0.0000 O 0 0 -4.1524 3.5971 0.0000 C 0 0 -7.7606 4.2025 0.0000 C 0 0 -8.8332 0.9046 0.0000 O 0 0 2.5955 2.7031 0.0000 C 0 0 0.0031 -3.0008 0.0000 O 0 0 1.0432 -3.5993 0.0000 C 0 0 -3.8940 -5.2508 0.0000 O 0 0 -2.8539 -5.8494 0.0000 C 0 0 -6.4952 -4.9500 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 19 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 6 33 1 0 7 8 1 0 7 20 2 0 8 9 1 0 9 10 2 0 9 11 1 0 10 14 1 0 11 12 2 0 11 15 1 0 12 13 1 0 12 18 1 0 13 14 2 0 13 35 1 0 15 16 2 0 15 26 1 0 16 17 1 0 17 18 2 0 18 37 1 0 19 32 2 0 21 22 1 0 21 23 1 0 21 27 1 0 22 24 1 0 22 29 1 0 23 25 1 0 23 28 1 0 23 30 1 0 24 26 1 0 25 26 1 0 25 31 1 0 33 34 1 0 35 36 1 0 M END > 354844 > 82196-88-1 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 3.1113 -2.2583 0.0000 O 0 0 1.6700 -1.9200 0.0000 C 0 0 0.5000 -1.0400 0.0000 C 0 0 1.2600 -0.4400 0.0000 C 0 0 1.3200 -3.3100 0.0000 C 0 0 -0.8900 -1.9200 0.0000 C 0 0 0.5000 0.7000 0.0000 C 0 0 1.9865 0.5151 0.0000 O 0 0 -0.7600 -0.4400 0.0000 O 0 0 -0.4200 -3.3100 0.0000 C 0 0 -2.1900 -0.9700 0.0000 C 0 0 -0.8900 1.5800 0.0000 C 0 0 -2.1900 0.7000 0.0000 O 0 0 -0.9325 3.0777 0.0000 C 0 0 -2.2528 3.7913 0.0000 N 0 0 0.0893 3.7069 0.0000 O 0 0 3.3976 -3.2164 0.0000 H 0 0 -2.2815 4.7909 0.0000 H 0 0 -3.1043 3.2670 0.0000 H 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 1 0 4 8 2 0 4 9 1 0 5 10 2 0 6 11 1 0 7 12 2 0 11 13 1 0 12 14 1 0 14 15 1 0 14 16 2 0 6 10 1 0 9 11 1 0 12 13 1 0 1 17 1 0 15 18 1 0 15 19 1 0 M END > 357683 > 79127-35-8 $$$$ SciTegic05042114222D 42 45 0 0 0 0 999 V2000 -3.8884 -8.2564 0.0000 N 0 0 -6.4914 -5.2571 0.0000 C 0 0 -5.1924 -6.0071 0.0000 C 0 0 -6.4915 -3.7571 0.0000 C 0 0 -3.8934 -5.2570 0.0000 C 0 0 -5.1925 -3.0071 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5951 -3.0039 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5972 -1.5031 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2982 3.7531 0.0000 N 0 0 -2.5981 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 1.2960 5.2539 0.0000 N 0 0 2.5942 6.0070 0.0000 C 0 0 2.5943 7.5071 0.0000 C 0 0 3.8934 5.2571 0.0000 C 0 0 5.1924 6.0071 0.0000 C 0 0 3.8933 8.2571 0.0000 C 0 0 5.1924 7.5071 0.0000 C 0 0 6.4886 3.7533 0.0000 N 0 0 -3.8853 -9.7573 0.0000 C 0 0 -2.8452 -10.3557 0.0000 C 0 0 -2.5915 -7.5010 0.0000 C 0 0 -2.5954 -6.3010 0.0000 C 0 0 -7.5307 -5.8571 0.0000 O 0 0 -5.1892 -7.5079 0.0000 C 0 0 0.0000 -2.7000 0.0000 O 0 0 -1.2991 4.9500 0.0000 O 0 0 6.4906 5.2541 0.0000 C 0 0 7.7868 3.0002 0.0000 C 0 0 7.7851 1.8002 0.0000 C 0 0 6.2316 8.1072 0.0000 O 0 0 5.1891 3.0024 0.0000 C 0 0 5.1887 1.8024 0.0000 C 0 0 1 29 1 0 1 31 1 0 1 34 1 0 2 3 2 0 2 4 1 0 2 33 1 0 3 5 1 0 3 34 1 0 4 6 2 0 5 7 2 0 6 7 1 0 7 10 1 0 8 12 2 0 8 9 1 0 9 11 2 0 9 35 1 0 10 13 2 0 11 15 1 0 11 13 1 0 12 14 1 0 14 18 2 0 14 15 1 0 15 17 2 0 16 21 2 0 16 18 1 0 17 20 1 0 18 19 1 0 19 20 2 0 19 36 1 0 21 22 1 0 22 23 2 0 22 24 1 0 23 26 1 0 24 25 2 0 25 27 1 0 25 37 1 0 26 27 2 0 27 40 1 0 28 37 1 0 28 38 1 0 28 41 1 0 29 30 1 0 31 32 1 0 38 39 1 0 41 42 1 0 M END > 359463 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 -4.3986 1.2905 0.0000 C 0 0 -4.3986 0.0905 0.0000 C 0 0 -3.2220 0.7964 0.0000 C 0 0 -4.3986 -1.2490 0.0000 C 0 0 -5.5751 0.7964 0.0000 C 0 0 -2.0273 0.0905 0.0000 C 0 0 -3.2220 2.1540 0.0000 C 0 0 -3.2220 -1.9187 0.0000 C 0 0 -5.5751 -1.9187 0.0000 C 0 0 -6.7517 0.0905 0.0000 C 0 0 -0.8507 0.7964 0.0000 C 0 0 0.0000 -0.9956 0.0000 C 0 0 -2.0273 -1.2490 0.0000 C 0 0 -2.0273 2.8238 0.0000 C 0 0 -6.8751 -2.6263 0.0000 C 0 0 -4.5212 -2.4925 0.0000 C 0 0 -6.7517 -1.2490 0.0000 C 0 0 -0.8507 2.1540 0.0000 C 0 0 1.0137 1.0137 0.0000 C 0 0 -8.1751 -1.8764 0.0000 O 0 0 -6.8749 -3.8263 0.0000 O 0 0 2.4422 1.4232 0.0000 C 0 0 -9.2145 -2.4762 0.0000 C 0 0 3.5227 0.3816 0.0000 O 0 0 4.4839 0.6575 0.0000 H 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 6 11 1 0 6 12 1 0 6 13 1 0 7 14 1 0 9 15 1 0 9 16 1 0 9 17 1 0 11 18 1 0 12 19 2 0 15 20 1 0 15 21 2 0 19 22 1 0 20 23 1 0 22 24 1 0 8 13 1 0 10 17 1 0 14 18 1 0 18 19 1 0 24 25 1 0 M END > 360861 $$$$ SciTegic05042114222D 36 42 0 0 0 0 999 V2000 -9.7591 -0.1619 0.0000 N 0 0 -9.7345 1.3379 0.0000 C 0 0 -8.4725 -0.9331 0.0000 C 0 0 -8.4233 2.0665 0.0000 C 0 0 -7.1613 -0.2045 0.0000 C 0 0 -7.1367 1.2953 0.0000 N 0 0 -4.5400 1.2500 0.0000 N 0 0 -5.3219 -1.1549 0.0000 O 0 0 -2.6477 3.0441 0.0000 O 0 0 -4.4600 -0.3200 0.0000 C 0 0 -3.0400 1.9100 0.0000 C 0 0 -2.1700 0.2800 0.0000 C 0 0 -2.6500 -0.4700 0.0000 C 0 0 -0.5000 2.2500 0.0000 C 0 0 -0.3400 1.0000 0.0000 C 0 0 -0.9100 1.7800 0.0000 C 0 0 -0.7600 0.2800 0.0000 C 0 0 1.2000 0.1200 0.0000 C 0 0 0.8100 -0.5600 0.0000 C 0 0 2.3100 -1.3200 0.0000 C 0 0 2.6500 -0.4900 0.0000 C 0 0 4.9559 0.6576 0.0000 O 0 0 3.3800 -2.5400 0.0000 C 0 0 4.2600 -0.3200 0.0000 C 0 0 4.5900 -1.7400 0.0000 N 0 0 3.2205 -3.7294 0.0000 O 0 0 7.1612 -1.3635 0.0000 N 0 0 8.5561 -1.9153 0.0000 C 0 0 6.9418 0.1205 0.0000 C 0 0 9.7314 -0.9833 0.0000 C 0 0 8.1172 1.0525 0.0000 C 0 0 9.5119 0.5006 0.0000 N 0 0 -10.8080 -0.7448 0.0000 C 0 0 -5.8234 2.0219 0.0000 C 0 0 5.9833 -2.2935 0.0000 C 0 0 10.4522 1.2462 0.0000 C 0 0 1 2 1 0 1 3 1 0 1 33 1 0 2 4 1 0 3 5 1 0 4 6 1 0 5 6 1 0 6 34 1 0 7 11 1 0 7 10 1 0 7 34 1 0 8 10 2 0 9 11 2 0 10 13 1 0 11 12 1 0 12 15 1 0 12 13 1 0 13 17 1 0 14 15 1 0 14 16 2 0 15 18 1 0 16 17 1 0 17 19 1 0 18 21 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 23 1 0 21 24 1 0 22 24 2 0 23 25 1 0 23 26 2 0 24 25 1 0 25 35 1 0 27 28 1 0 27 29 1 0 27 35 1 0 28 30 1 0 29 31 1 0 30 32 1 0 31 32 1 0 32 36 1 0 M END > 361813 $$$$ SciTegic05042114222D 90 98 0 0 0 0 999 V2000 6.8488 -5.7244 0.0000 O 0 0 7.6328 -5.1037 0.0000 C 0 0 8.2762 -5.6068 0.0000 C 0 0 7.2907 -4.3621 0.0000 C 0 0 9.0784 -5.7601 0.0000 C 0 0 7.3426 -5.9730 0.0000 O 0 0 7.6144 -6.2923 0.0000 C 0 0 6.7201 -5.1868 0.0000 C 0 0 7.3255 -3.5461 0.0000 C 0 0 9.4408 -6.6412 0.0000 C 0 0 9.8619 -5.5295 0.0000 C 0 0 7.9025 -7.2005 0.0000 C 0 0 5.7207 -5.2190 0.0000 O 0 0 6.3645 -3.2696 0.0000 O 0 0 7.7296 -2.8364 0.0000 C 0 0 8.8383 -7.3792 0.0000 C 0 0 10.4533 -4.9663 0.0000 C 0 0 7.2384 -7.9481 0.0000 C 0 0 8.5957 -3.3364 0.0000 C 0 0 6.8636 -2.3364 0.0000 C 0 0 8.5957 -2.3364 0.0000 C 0 0 9.1800 -8.3190 0.0000 C 0 0 11.2939 -5.5078 0.0000 C 0 0 10.7217 -4.1949 0.0000 C 0 0 6.8636 -1.3364 0.0000 C 0 0 5.9697 -2.8710 0.0000 C 0 0 8.5957 -1.3364 0.0000 C 0 0 9.4124 -2.3413 0.0000 C 0 0 8.5369 -9.0849 0.0000 O 0 0 11.7169 -4.2921 0.0000 O 0 0 10.6076 -3.3862 0.0000 C 0 0 5.9697 -0.8017 0.0000 C 0 0 7.7296 -0.8364 0.0000 C 0 0 5.9812 -3.8710 0.0000 C 0 0 5.0636 -2.3572 0.0000 C 0 0 9.6534 -1.3708 0.0000 C 0 0 10.1364 -2.7191 0.0000 C 0 0 12.2988 -3.4788 0.0000 C 0 0 5.9812 0.1982 0.0000 O 0 0 5.0636 -1.3156 0.0000 C 0 0 13.2940 -3.5761 0.0000 C 0 0 11.8853 -2.5683 0.0000 O 0 0 5.1210 0.7082 0.0000 C 0 0 4.1995 -0.8122 0.0000 C 0 0 13.8759 -2.7628 0.0000 C 0 0 12.4672 -1.7550 0.0000 C 0 0 5.1326 1.7081 0.0000 C 0 0 4.2493 0.2182 0.0000 O 0 0 14.7864 -2.3493 0.0000 N 0 3 14.6892 -3.3446 0.0000 C 0 0 13.4624 -1.8522 0.0000 C 0 0 12.0537 -0.8444 0.0000 C 0 0 4.2724 2.2181 0.0000 C 0 0 3.3891 0.7282 0.0000 C 0 0 15.5997 -2.9312 0.0000 O 0 5 15.3682 -1.5360 0.0000 O 0 0 14.0443 -1.0389 0.0000 N 0 0 4.2840 3.2180 0.0000 O 0 0 3.4007 1.7282 0.0000 C 0 0 2.5174 0.2383 0.0000 C 0 0 13.6308 -0.1284 0.0000 C 0 0 5.1557 3.7080 0.0000 C 0 0 2.5405 2.2381 0.0000 O 0 0 14.2127 0.6849 0.0000 O 0 0 12.6356 -0.0311 0.0000 O 0 0 5.1673 4.7079 0.0000 C 0 0 6.0159 3.1980 0.0000 O 0 0 13.7993 1.5955 0.0000 C 0 0 6.0390 5.1979 0.0000 C 0 0 6.8877 3.6880 0.0000 C 0 0 6.0506 6.1978 0.0000 O 0 0 6.8992 4.6879 0.0000 C 0 0 7.7479 3.1780 0.0000 C 0 0 7.7710 5.1779 0.0000 O 0 0 7.7825 6.1778 0.0000 C 0 0 6.9224 6.6878 0.0000 C 0 0 8.6543 6.6677 0.0000 O 0 0 6.9339 7.6877 0.0000 C 0 0 8.6659 7.6677 0.0000 C 0 0 6.0737 8.1977 0.0000 O 0 0 7.8057 8.1777 0.0000 C 0 0 9.5376 8.1576 0.0000 C 0 0 7.8172 9.1776 0.0000 O 0 0 8.6890 9.6675 0.0000 C 0 0 6.6202 -6.3008 0.0000 H 0 0 8.7487 -9.6675 0.0000 H 0 0 14.6088 -0.7826 0.0000 H 0 0 2.0000 1.9344 0.0000 H 0 0 5.5173 6.5140 0.0000 H 0 0 6.0809 8.8176 0.0000 H 0 0 1 2 1 0 2 3 1 0 2 4 2 0 3 5 1 0 3 6 1 0 3 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 5 11 1 0 7 12 1 0 8 13 2 0 9 14 2 0 9 15 1 0 10 16 2 0 11 17 2 0 12 18 1 0 15 19 1 0 15 20 1 0 15 21 1 0 16 22 1 0 17 23 1 0 17 24 1 0 20 25 1 0 20 26 1 0 21 27 1 0 21 28 1 0 22 29 1 0 24 30 1 0 24 31 1 0 25 32 1 0 25 33 1 0 26 34 1 0 26 35 1 0 28 36 1 0 28 37 2 0 30 38 1 0 32 39 1 0 32 40 1 0 38 41 1 0 38 42 1 0 39 43 1 0 40 44 1 0 41 45 1 0 42 46 1 0 43 47 1 0 43 48 1 0 45 49 1 0 45 50 1 0 45 51 1 0 46 52 1 0 47 53 1 0 48 54 1 0 49 55 1 0 49 56 2 0 51 57 1 0 53 58 1 0 53 59 1 0 54 60 1 0 57 61 1 0 58 62 1 0 59 63 1 0 61 64 1 0 61 65 2 0 62 66 1 0 62 67 1 0 64 68 1 0 66 69 1 0 67 70 1 0 69 71 1 0 69 72 1 0 70 73 1 0 72 74 1 0 74 75 1 0 75 76 1 0 75 77 1 0 76 78 1 0 77 79 1 0 78 80 1 0 78 81 1 0 79 82 1 0 81 83 1 0 83 84 1 0 6 8 1 0 12 16 1 0 27 33 2 0 31 37 1 0 35 40 1 0 46 51 1 0 54 59 1 0 70 72 1 0 79 81 1 0 1 85 1 0 29 86 1 0 57 87 1 0 63 88 1 0 71 89 1 0 80 90 1 0 M CHG 2 49 1 55 -1 M END > 363182 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 363744 $$$$ SciTegic05042114222D 32 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 1.0392 3.6000 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -2.5981 6.0000 0.0000 C 0 0 -3.8972 5.2500 0.0000 C 0 0 -5.1872 -7.5117 0.0000 C 0 0 -5.1894 -6.0109 0.0000 N 0 0 -3.8912 -5.2578 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -6.4854 -8.2648 0.0000 C 0 0 -6.4837 -9.4648 0.0000 O 0 0 -2.5972 -1.5031 0.0000 N 0 0 -0.0009 6.0031 0.0000 N 0 0 -0.0030 7.5039 0.0000 C 0 0 1.2952 8.2570 0.0000 C 0 0 1.2930 9.7578 0.0000 C 0 0 2.5912 10.5109 0.0000 N 0 0 2.5891 12.0118 0.0000 C 0 0 3.8873 12.7649 0.0000 C 0 0 3.8856 13.9649 0.0000 O 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 4 6 1 0 4 24 1 0 5 10 1 0 5 6 2 0 6 7 1 0 7 11 1 0 7 8 2 0 9 10 2 0 10 12 1 0 11 12 1 0 11 13 2 0 12 14 2 0 13 16 1 0 14 15 1 0 14 25 1 0 15 16 2 0 17 18 1 0 17 22 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 24 1 0 22 23 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 M END > 363998 $$$$ SciTegic05042114222D 12 12 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 F 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8969 -0.4545 0.0000 S 0 0 -3.8990 0.7455 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2408 2.0910 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 3 5 1 0 4 6 2 0 5 7 2 0 6 7 1 0 7 10 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 3 0 M END > 369317 > 79174-47-3 $$$$ SciTegic05042114222D 13 13 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8969 -0.4545 0.0000 S 0 0 -3.8990 0.7455 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2408 2.0910 0.0000 N 0 0 1 2 2 0 1 3 1 0 1 9 1 0 2 5 1 0 3 4 2 0 4 6 1 0 5 6 2 0 5 10 1 0 6 11 1 0 7 8 2 0 8 11 1 0 8 12 1 0 12 13 3 0 M END > 369318 $$$$ SciTegic05042114222D 32 37 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -4.0238 1.0365 0.0000 N 0 0 -4.3327 0.0854 0.0000 H 0 0 -4.9055 2.2500 0.0000 N 0 0 -4.0238 3.4635 0.0000 C 0 0 -5.9395 5.2170 0.0000 N 0 0 -4.4875 4.8908 0.0000 C 0 0 -3.6974 6.1444 0.0000 C 0 0 -6.0565 6.7124 0.0000 N 0 0 -6.9089 7.2354 0.0000 H 0 0 -2.2224 6.4171 0.0000 C 0 0 -4.6711 7.2854 0.0000 C 0 0 -1.7211 7.8309 0.0000 C 0 0 -4.1699 8.6991 0.0000 C 0 0 -5.1436 9.8401 0.0000 C 0 0 -2.6949 8.9719 0.0000 C 0 0 -2.1936 10.3856 0.0000 C 0 0 -4.6423 11.2539 0.0000 C 0 0 -3.1673 11.5266 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 -2.6686 12.9422 0.0000 O 0 0 -3.4489 13.8539 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 29 1 0 2 4 1 0 3 5 2 0 4 7 1 0 4 6 2 0 5 6 1 0 6 8 1 0 7 9 1 0 8 10 2 0 8 11 1 0 9 10 1 0 10 14 1 0 11 13 1 0 11 12 1 0 13 14 2 0 14 16 1 0 15 16 2 0 15 18 1 0 16 17 1 0 17 20 1 0 17 21 2 0 18 21 1 0 18 19 1 0 20 22 1 0 21 23 1 0 22 25 1 0 23 25 2 0 23 24 1 0 24 27 2 0 25 26 1 0 26 28 2 0 27 28 1 0 28 31 1 0 29 30 1 0 31 32 1 0 M END > 371846 $$$$ SciTegic05042114222D 14 15 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.0248 2.3757 0.0000 O 0 0 -2.5981 1.5000 0.0000 N 0 0 0.0000 3.0000 0.0000 S 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 N 0 0 -0.0282 4.1997 0.0000 O 0 0 -3.6373 3.6000 0.0000 Cl 0 0 -3.6373 0.9000 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 4 6 1 0 5 9 1 0 5 6 2 0 6 8 1 0 7 9 2 0 8 10 1 0 8 14 1 0 9 12 2 0 9 11 1 0 10 11 2 0 10 13 1 0 M END > 373853 > 107089-76-9 $$$$ SciTegic05042114222D 31 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8994 0.7522 0.0000 N 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -5.1981 1.5045 0.0000 N 0 0 -2.3342 5.8526 0.0000 O 0 0 -1.2960 5.2508 0.0000 C 0 0 -6.4994 0.7567 0.0000 C 0 0 -6.4995 -0.7433 0.0000 C 0 0 -7.7985 1.5067 0.0000 C 0 0 0.0079 7.5002 0.0000 C 0 0 -7.7985 -1.4933 0.0000 C 0 0 -9.0975 0.7567 0.0000 C 0 0 1.3069 8.2503 0.0000 C 0 0 -1.2911 8.2503 0.0000 C 0 0 -9.0975 -0.7433 0.0000 C 0 0 -1.2911 9.7503 0.0000 C 0 0 1.3070 9.7503 0.0000 C 0 0 0.0079 10.5003 0.0000 C 0 0 -3.6373 3.6000 0.0000 O 0 0 0.0048 5.9994 0.0000 N 0 0 -7.7985 2.7067 0.0000 O 0 0 2.3462 7.6503 0.0000 C 0 0 0.0079 11.7003 0.0000 C 0 0 1 3 2 0 1 2 1 0 2 4 2 0 3 5 1 0 4 6 1 0 5 7 1 0 5 6 2 0 6 8 1 0 7 10 2 0 8 11 2 0 8 9 1 0 9 12 2 0 10 14 1 0 10 11 1 0 11 27 1 0 12 15 1 0 13 14 2 0 14 28 1 0 15 16 2 0 15 17 1 0 16 19 1 0 17 20 2 0 17 29 1 0 18 21 2 0 18 22 1 0 18 28 1 0 19 23 2 0 20 23 1 0 21 25 1 0 21 30 1 0 22 24 2 0 24 26 1 0 25 26 2 0 26 31 1 0 M END > 374898 > 523-67-1 $$$$ SciTegic05042114222D 17 19 0 0 0 0 999 V2000 2.3383 -0.1500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.4133 1.7530 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.3114 2.9665 0.0000 C 0 0 1.8032 3.1233 0.0000 O 0 0 -1.0248 -2.3756 0.0000 C 0 0 0.0282 -4.1997 0.0000 C 0 0 1.2990 -3.7500 0.0000 C 0 0 -0.4916 3.8582 0.0000 O 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 6 2 0 3 7 1 0 4 8 1 0 4 9 1 0 5 10 1 0 6 11 1 0 6 12 1 0 7 13 1 0 9 14 1 0 9 15 1 0 9 16 1 0 12 17 2 0 8 11 1 0 10 16 1 0 12 13 1 0 M END > 375294 $$$$ SciTegic05042114222D 17 18 0 0 1 0 999 V2000 2.5987 -1.5004 0.0000 C 0 0 2 0 0 0 2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 2 0 0 0 3.9511 -0.8815 0.0000 C 0 0 1 0 0 0 4.0971 -5.6353 0.0000 O 0 0 4.8054 -4.6666 0.0000 C 0 0 6.1467 -1.8742 0.0000 O 0 0 4.1955 0.2934 0.0000 O 0 0 -2.3383 1.3500 0.0000 N 0 0 1 9 1 0 1 3 1 1 1 12 1 0 2 5 2 0 3 5 1 0 3 8 1 0 4 6 2 0 4 5 1 0 6 7 1 0 6 17 1 0 7 8 2 0 9 10 2 0 10 11 1 0 10 14 1 0 11 12 1 0 11 15 1 6 12 16 1 6 13 14 1 0 M END > 375575 > 90597-22-1 $$$$ SciTegic05042114222D 36 42 0 0 0 0 999 V2000 -2.6012 -3.0008 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 O 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -5.1962 1.5000 0.0000 O 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -6.4952 3.7500 0.0000 C 0 0 -2.5981 6.0000 0.0000 O 0 0 -3.8972 5.2500 0.0000 C 0 0 -5.1962 6.0000 0.0000 C 0 0 -6.4952 5.2500 0.0000 C 0 0 -7.5345 5.8500 0.0000 O 0 0 -3.6412 -3.5994 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 0.0006 6.0004 0.0000 C 0 0 1.3009 5.2525 0.0000 C 0 0 2.5988 6.0046 0.0000 C 0 0 2.5964 7.5046 0.0000 C 0 0 1.2962 8.2525 0.0000 C 0 0 -0.0017 7.5005 0.0000 C 0 0 1 6 1 0 1 24 1 0 2 4 1 0 2 3 1 0 3 5 1 0 4 8 1 0 4 25 1 0 5 7 2 0 5 6 1 0 6 9 2 0 7 8 1 0 7 10 1 0 9 11 1 0 10 13 1 0 10 11 2 0 11 14 1 0 12 17 2 0 12 13 1 0 13 16 2 0 14 15 1 0 15 16 1 0 15 18 2 0 16 20 1 0 17 19 1 0 17 31 1 0 18 22 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 25 26 2 0 25 30 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 31 32 2 0 31 36 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 M END > 376248 > 35290-22-3 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 14.0070 -3.9477 0.0000 C 0 0 14.5218 -5.3566 0.0000 C 0 0 13.5591 -6.5069 0.0000 C 0 0 12.0816 -6.2483 0.0000 C 0 0 11.5667 -4.8395 0.0000 C 0 0 12.5295 -3.6892 0.0000 N 0 0 10.0888 -4.5777 0.0000 C 0 0 9.5757 -3.1673 0.0000 N 0 0 7.5847 -1.4952 0.0000 C 0 0 8.3565 -0.5763 0.0000 S 0 0 6.1069 -1.2335 0.0000 N 0 0 5.5920 0.1754 0.0000 C 0 0 4.1145 0.4339 0.0000 C 0 0 3.1484 -0.7186 0.0000 N 0 0 3.6667 -2.1252 0.0000 C 0 0 5.1442 -2.3838 0.0000 C 0 0 8.0979 -2.9056 0.0000 N 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 9.3171 -5.4966 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 7 25 1 0 8 17 1 0 9 10 2 0 9 11 1 0 9 17 1 0 11 12 1 0 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 18 1 0 15 16 1 0 18 19 1 0 18 24 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M END > 376265 $$$$ SciTegic05042114222D 26 27 0 0 0 0 999 V2000 1.3378 -1.8413 0.0000 H 0 0 0.7500 -1.0323 0.0000 N 0 0 -0.7500 -1.0323 0.0000 C 0 0 2.3548 0.7651 0.0000 O 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 N 0 0 -1.2135 0.3943 0.0000 C 0 0 -2.3548 0.7651 0.0000 O 0 0 -6.2676 10.0044 0.0000 O 0 0 -5.1285 10.3821 0.0000 C 0 0 -3.9150 9.5223 0.0000 N 0 0 -2.7015 10.3821 0.0000 C 0 0 -1.5624 10.0046 0.0000 O 0 0 -4.6651 11.8087 0.0000 N 0 0 -3.1651 11.8087 0.0000 C 0 0 -5.2529 12.6177 0.0000 H 0 0 -1.9414 -0.8890 0.0000 C 0 0 -0.2457 -2.1212 0.0000 C 0 0 -0.0031 2.7742 0.0000 C 0 0 -1.3040 3.5228 0.0000 C 0 0 -1.3071 5.0236 0.0000 C 0 0 -2.6079 5.7721 0.0000 C 0 0 -2.6111 7.2729 0.0000 C 0 0 -3.9119 8.0215 0.0000 C 0 0 -3.6696 12.8975 0.0000 C 0 0 -1.9736 11.6656 0.0000 C 0 0 1 2 1 0 2 5 1 0 2 3 1 0 3 7 1 0 3 17 1 0 3 18 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 19 1 0 7 8 2 0 9 10 2 0 10 14 1 0 10 11 1 0 11 12 1 0 11 24 1 0 12 15 1 0 12 13 2 0 14 16 1 0 14 15 1 0 15 25 1 0 15 26 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M END > 376791 > 25176-29-8 $$$$ SciTegic05042114222D 13 13 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8969 -0.4545 0.0000 S 0 0 -2.6003 1.4977 0.0000 N 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2408 2.0910 0.0000 N 0 0 1 2 1 0 2 4 2 0 2 5 1 0 3 4 1 0 4 6 1 0 5 7 2 0 6 8 2 0 7 8 1 0 8 11 1 0 9 10 2 0 9 11 1 0 9 12 1 0 12 13 3 0 M END > 379531 > 4955-79-7 $$$$ SciTegic05042114222D 15 15 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8912 5.2578 0.0000 N 0 0 -1.5549 3.6021 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -4.9292 5.8599 0.0000 C 0 0 -2.8509 5.8560 0.0000 C 0 0 1 2 2 0 1 3 1 0 2 5 1 0 3 4 2 0 4 6 1 0 4 7 1 0 5 6 2 0 6 8 1 0 8 9 2 0 8 10 1 0 10 12 2 0 10 13 1 0 11 13 1 0 11 14 1 0 11 15 1 0 M END > 382007 $$$$ SciTegic05042114222D 22 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -2.6021 2.4977 0.0000 H 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8973 -0.2545 0.0000 H 0 0 -5.2003 1.4932 0.0000 C 0 0 -5.2024 2.6932 0.0000 O 0 0 -6.4990 0.7409 0.0000 C 0 0 -9.0990 0.7364 0.0000 N 0 0 2.3383 -1.3500 0.0000 C 0 0 -7.5371 0.1389 0.0000 C 0 0 -6.4969 -0.4591 0.0000 C 0 0 -7.8003 1.4887 0.0000 C 0 0 -10.4003 1.4841 0.0000 C 0 0 -11.4386 0.8826 0.0000 C 0 0 -9.0994 -0.7644 0.0000 C 0 0 -10.1385 -1.3648 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 15 1 0 2 4 1 0 3 5 2 0 4 6 2 0 5 6 1 0 6 7 1 0 7 9 2 0 7 8 1 0 9 10 1 0 9 11 1 0 11 13 1 0 11 12 2 0 13 16 1 0 13 17 1 0 13 18 1 0 14 18 1 0 14 19 1 0 14 21 1 0 19 20 1 0 21 22 1 0 M END > 382766 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 -4.5304 -0.3970 0.0000 C 0 0 -4.5304 -0.9529 0.0000 C 0 0 -2.9835 1.1499 0.0000 C 0 0 -2.9185 -2.5650 0.0000 C 0 0 -1.4885 -0.3449 0.0000 C 0 0 -1.4885 -1.1349 0.0000 C 0 0 0.1664 1.3099 0.0000 C 0 0 0.1774 -2.8010 0.0000 C 0 0 1.7684 -0.2920 0.0000 C 0 0 1.7684 -1.2090 0.0000 C 0 0 4.1124 0.5079 0.0000 O 0 0 4.2564 2.0819 0.0000 C 0 0 4.9714 1.3669 0.0000 C 0 0 4.8135 3.0469 0.0000 C 0 0 5.7485 2.1119 0.0000 C 0 0 5.7485 1.3669 0.0000 O 0 0 -5.4275 -1.8499 0.0000 O 0 0 -3.7685 -3.6749 0.0000 C 0 0 -2.4215 -3.4249 0.0000 C 0 0 -1.4885 1.2360 0.0000 C 0 0 -1.4215 -3.4249 0.0000 O 0 0 0.1664 2.0819 0.0000 C 0 0 1.0164 2.0819 0.0000 C 0 0 2.5734 0.5129 0.0000 C 0 0 4.8135 3.7289 0.0000 O 0 0 1 3 1 0 1 2 1 0 2 4 1 0 2 17 1 0 3 5 1 0 4 6 1 0 4 18 1 0 4 19 1 0 5 7 1 0 5 6 1 0 5 20 1 0 6 8 1 0 7 9 1 0 7 22 1 0 8 10 1 0 9 10 1 0 9 24 2 0 11 13 2 0 12 14 1 0 12 13 1 0 12 23 2 0 13 16 1 0 14 15 1 0 14 25 1 0 15 16 1 0 19 21 1 0 22 23 1 0 M END > 383468 $$$$ SciTegic05042114222D 12 13 0 0 0 0 999 V2000 -3.6373 -3.6000 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 8 2 0 2 12 2 0 3 10 2 0 3 5 1 0 4 6 2 0 4 5 1 0 5 7 2 0 6 8 1 0 7 9 1 0 7 12 1 0 8 12 1 0 9 11 2 0 10 11 1 0 M END > 400944 > 7467-33-6 $$$$ SciTegic05042114222D 19 21 0 0 1 0 999 V2000 0.0000 -1.2000 0.0000 O 0 0 -3.7052 2.8976 0.0000 H 0 0 0.0000 0.0000 0.0000 C 0 0 -1.2939 0.7523 0.0000 C 0 0 -3.6110 1.4895 0.0000 C 0 0 -2.7233 0.2859 0.0000 C 0 0 1.2939 0.7523 0.0000 C 0 0 2 0 0 0 -2.7233 2.7083 0.0000 C 0 0 1 0 0 0 -1.2939 2.2569 0.0000 C 0 0 1.2939 2.2569 0.0000 C 0 0 0.0000 3.0092 0.0000 C 0 0 2.7985 2.2569 0.0000 C 0 0 2.0462 3.5508 0.0000 C 0 0 2.3177 1.3783 0.0000 C 0 0 1.2674 -0.4474 0.0000 O 0 0 0.0000 4.2092 0.0000 C 0 0 -4.1988 2.5357 0.0000 C 0 0 -1.9100 3.5906 0.0000 O 0 0 -4.1928 0.4400 0.0000 C 0 0 1 3 2 0 8 2 1 1 3 4 1 0 3 7 1 0 4 6 2 0 4 9 1 0 5 6 1 0 5 8 1 0 5 17 1 0 5 19 1 0 7 10 1 0 7 14 1 6 7 15 1 0 8 9 1 0 8 18 1 0 9 11 2 0 10 11 1 0 10 12 1 0 10 13 1 0 11 16 1 0 12 13 1 0 M END > 400978 > 1146-04-9 $$$$ SciTegic05042114222D 31 35 0 0 1 0 999 V2000 -3.7124 4.0029 0.0000 O 0 0 -1.6105 5.2165 0.0000 O 0 0 2.2121 -0.3422 0.0000 H 0 0 -0.8097 -2.0868 0.0000 H 0 0 1.7979 -3.1140 0.0000 O 0 0 -0.4980 -3.8480 0.0000 O 0 0 2.4080 -1.7436 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.3061 -2.9572 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.1023 5.3733 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -3.8991 -0.7525 0.0000 C 0 0 -2.5964 -3.0004 0.0000 C 0 0 -3.8943 -3.7525 0.0000 C 0 0 -5.1969 -1.5046 0.0000 C 0 0 -5.1945 -3.0046 0.0000 C 0 0 -6.4963 -0.7536 0.0000 O 0 0 -6.4965 0.4464 0.0000 C 0 0 -6.4946 -3.7544 0.0000 O 0 0 -7.5340 -3.1546 0.0000 C 0 0 -3.8888 -5.2533 0.0000 O 0 0 -2.8478 -5.8502 0.0000 C 0 0 1 15 1 0 1 19 1 0 2 12 1 0 2 19 1 0 8 3 1 6 13 4 1 1 5 7 1 0 5 17 1 0 6 17 2 0 7 8 1 0 8 9 1 0 8 13 1 0 9 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 15 2 0 13 16 1 0 13 17 1 0 14 18 2 0 14 16 1 0 15 18 1 0 16 20 1 6 20 21 2 0 20 22 1 0 21 24 1 0 22 23 2 0 23 25 1 0 23 30 1 0 24 25 2 0 24 26 1 0 25 28 1 0 26 27 1 0 28 29 1 0 30 31 1 0 M END > 403148 > 19186-35-7 $$$$ SciTegic05042114222D 17 19 0 0 1 0 999 V2000 -2.2696 -1.4152 0.0000 H 0 0 -0.9876 -1.7448 0.0000 C 0 0 -1.8107 -0.5267 0.0000 C 0 0 2 0 0 0 -3.2427 -0.5597 0.0000 C 0 0 -3.7036 0.8066 0.0000 C 0 0 0.4444 -1.8436 0.0000 C 0 0 2 0 0 0 -2.5514 1.6625 0.0000 C 0 0 2 0 0 0 -1.3827 0.8395 0.0000 C 0 0 1 0 0 0 1.4321 -0.7901 0.0000 C 0 0 1 0 0 0 0.0000 1.3662 0.0000 C 0 0 1.2345 0.6090 0.0000 C 0 0 0.1481 0.0494 0.0000 C 0 0 1.6549 -1.9692 0.0000 O 0 0 2.2927 0.0461 0.0000 C 0 0 -2.1871 -1.7102 0.0000 C 0 0 -0.3562 -2.7653 0.0000 C 0 0 -2.5666 2.8624 0.0000 C 0 0 3 1 1 1 2 3 1 0 2 6 1 0 2 15 1 0 2 16 1 0 3 4 1 0 3 8 1 0 4 5 1 0 5 7 1 0 6 12 1 6 6 9 1 0 7 8 1 0 7 17 1 1 8 12 1 6 8 10 1 0 9 11 1 0 9 13 1 1 9 14 1 0 10 11 1 0 M END > 403883 > 77-53-2 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 -0.3115 2.9665 0.0000 N 0 0 -4.3570 0.0307 0.0000 O 0 0 -2.4133 1.7530 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.8032 3.1233 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.8813 1.4408 0.0000 C 0 0 -5.0460 2.3579 0.0000 C 0 0 -6.2823 1.5084 0.0000 C 0 0 -5.8565 0.0701 0.0000 C 0 0 2.3383 1.3500 0.0000 N 0 0 -6.3055 -2.2283 0.0000 O 0 0 -6.7662 -1.1203 0.0000 C 0 0 -7.4135 1.9091 0.0000 O 0 0 -5.0071 3.5572 0.0000 O 0 0 1 6 2 0 1 10 1 0 2 10 2 0 2 8 1 0 3 9 2 0 3 7 1 0 4 11 1 0 4 14 1 0 5 8 1 0 5 9 1 0 5 11 1 0 6 7 1 0 6 15 1 0 7 8 2 0 11 12 1 0 12 13 1 0 12 19 1 0 13 14 1 0 13 18 1 0 14 17 1 0 16 17 1 0 M END > 404241 > 5536-17-4 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 0.0000 2.7000 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3092 -5.2494 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -2.6108 -5.9949 0.0000 C 0 0 -2.6004 -2.9949 0.0000 C 0 0 -3.9072 -5.2404 0.0000 C 0 0 -3.9020 -3.7404 0.0000 C 0 0 -5.2111 -5.9837 0.0000 N 0 0 -6.2474 -5.3786 0.0000 O 0 0 -0.0031 -3.0008 0.0000 C 0 0 1.2954 -3.7535 0.0000 C 0 0 2.3336 -4.3553 0.0000 N 0 0 1 5 1 0 2 3 2 0 2 4 1 0 3 5 1 0 4 6 2 0 4 16 1 0 5 7 2 0 6 7 1 0 8 10 2 0 8 9 1 0 9 11 1 0 9 16 2 0 10 12 1 0 11 13 2 0 12 13 1 0 12 14 2 0 14 15 1 0 16 17 1 0 17 18 3 0 M END > 405158 > 958-11-2 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 0.0000 -2.7000 0.0000 S 0 0 0.0000 1.5000 0.0000 N 0 0 0.0000 2.5000 0.0000 H 0 0 -2.7248 -1.2135 0.0000 N 0 0 -2.2051 3.7579 0.0000 O 0 0 -2.7248 1.2135 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.1884 2.6409 0.0000 C 0 0 -4.5650 3.1910 0.0000 C 0 0 -4.4475 4.6864 0.0000 C 0 0 -2.9890 5.0368 0.0000 C 0 0 -1.2230 6.5749 0.0000 O 0 0 -2.4130 6.4199 0.0000 C 0 0 -5.3601 5.4656 0.0000 O 0 0 -5.5842 2.5576 0.0000 O 0 0 1 12 2 0 1 8 1 0 2 8 2 0 3 10 1 0 3 12 1 0 3 4 1 0 5 11 2 0 5 9 1 0 6 13 1 0 6 16 1 0 7 10 1 0 7 11 1 0 7 13 1 0 8 9 1 0 9 10 2 0 13 14 1 0 14 15 1 0 14 20 1 0 15 16 1 0 15 19 1 0 16 18 1 0 17 18 1 0 M END > 406021 > 892-49-9 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 -0.0036 -7.5029 0.0000 C 0 0 -0.0012 -6.0029 0.0000 C 0 0 -1.3038 -8.2509 0.0000 C 0 0 -1.2990 -5.2508 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -2.6016 -7.4988 0.0000 C 0 0 -2.5993 -5.9988 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 -3.6373 -3.6000 0.0000 O 0 0 -3.6418 -8.0972 0.0000 O 0 0 -1.3057 -9.4509 0.0000 O 0 0 1 2 1 0 1 3 2 0 2 4 2 0 3 6 1 0 3 21 1 0 4 7 1 0 4 8 1 0 5 10 2 0 5 9 1 0 6 7 2 0 6 20 1 0 8 16 1 0 8 11 2 0 9 16 1 0 9 12 2 0 10 13 1 0 10 18 1 0 11 14 1 0 11 19 1 0 12 14 1 0 12 15 1 0 13 15 2 0 14 17 2 0 M END > 407010 > 528-48-3 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 0.0000 2.7000 0.0000 F 0 0 2.3383 1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 N 0 0 2.1651 -1.2500 0.0000 H 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -2.7000 0.0000 O 0 0 -3.9511 -0.8815 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -4.9530 -1.9978 0.0000 C 0 0 -4.2010 -3.2957 0.0000 C 0 0 -2.7343 -2.9815 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -4.8053 -4.6666 0.0000 O 0 0 -3.9195 -5.8781 0.0000 C 0 0 -4.4036 -6.9762 0.0000 O 0 0 -2.7265 -5.7487 0.0000 C 0 0 -6.4430 -1.8405 0.0000 C 0 0 -6.9313 -0.7443 0.0000 O 0 0 1 9 1 0 2 10 2 0 3 10 1 0 3 15 1 0 3 4 1 0 5 8 1 0 5 14 1 0 5 15 1 0 6 15 2 0 7 11 1 0 7 14 1 0 8 9 2 0 9 10 1 0 11 12 1 0 11 20 1 0 12 13 1 0 12 16 1 0 13 14 1 0 16 17 1 0 17 18 2 0 17 19 1 0 20 21 1 0 M END > 407335 $$$$ SciTegic05042114222D 30 34 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 2 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 2 0 0 0 -5.1962 -1.5000 0.0000 C 0 0 2 0 0 0 -5.1961 -3.0000 0.0000 C 0 0 2 0 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -6.6111 -1.0365 0.0000 C 0 0 -7.4928 -2.2500 0.0000 C 0 0 -6.6111 -3.4636 0.0000 C 0 0 2 0 0 0 -7.0732 -4.8914 0.0000 C 0 0 -6.2823 -6.1453 0.0000 C 0 0 -7.2559 -7.2864 0.0000 C 0 0 -8.6420 -6.7132 0.0000 O 0 0 -8.5252 -5.2177 0.0000 C 0 0 -1.2990 1.7500 0.0000 H 0 0 -1.7320 -2.0000 0.0000 H 0 0 -4.7631 -0.2500 0.0000 H 0 0 -6.9751 -8.4531 0.0000 O 0 0 -5.3201 -4.1936 0.0000 C 0 0 -1.2990 -1.9500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -5.3202 -0.3064 0.0000 O 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 29 1 1 3 4 1 0 4 5 1 0 4 7 1 0 4 23 1 1 5 6 1 0 5 10 1 0 5 28 1 1 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 25 1 1 10 14 1 0 10 24 1 6 11 12 1 0 11 15 1 0 11 30 1 1 12 13 1 0 12 17 1 0 12 27 1 1 13 14 1 0 15 16 1 0 16 17 1 0 17 18 1 1 18 19 2 0 18 22 1 0 19 20 1 0 20 21 1 0 20 26 2 0 21 22 1 0 M END > 407806 > 143-62-4 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.0392 -3.6000 0.0000 O 0 0 -3.6373 -0.9000 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -4.9363 -5.8500 0.0000 C 0 0 -0.2598 -5.8500 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 1 6 2 0 2 15 2 0 3 4 2 0 3 5 1 0 3 19 1 0 4 10 1 0 5 11 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 8 18 1 0 9 13 1 0 10 14 2 0 10 20 1 0 11 14 1 0 11 15 1 0 12 15 1 0 12 16 1 0 13 16 2 0 13 17 1 0 M END > 408120 > 518-82-1 $$$$ SciTegic05042114222D 10 9 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 1.3000 1.9500 0.0000 O 0 0 0.2606 0.1503 0.0000 O 0 0 2.6000 0.0000 0.0000 C 0 0 2.6000 -1.2000 0.0000 N 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 N 0 0 5.2000 -1.2000 0.0000 O 0 0 6.5000 0.7500 0.0000 N 0 0 7.5394 0.1503 0.0000 O 0 0 1 2 1 0 1 3 2 0 1 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 M END > 529469 > 5854-93-3 $$$$ SciTegic05042114222D 17 16 0 0 0 0 999 V2000 0.0007 0.0004 0.0000 C 0 0 1.3000 0.7500 0.0000 Si 0 0 1.3000 2.2500 0.0000 C 0 0 0.0011 1.5002 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 3.9000 0.7500 0.0000 N 0 0 5.2000 0.0000 0.0000 Pt 0 2 5.2000 -1.5000 0.0000 Cl 0 5 3.9010 -0.7502 0.0000 Cl 0 5 6.5000 0.7500 0.0000 N 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 Si 0 0 10.3992 0.0004 0.0000 C 0 0 9.0999 2.2500 0.0000 C 0 0 10.3988 1.5002 0.0000 C 0 0 2.6011 1.5002 0.0000 H 0 0 7.7989 1.5002 0.0000 H 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 6 16 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 10 17 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 M CHG 3 7 2 8 -1 9 -1 M END > 600300 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 N 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 C 0 0 3.6375 0.9049 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 -2.6011 -7.5008 0.0000 C 0 0 -1.5630 -8.1026 0.0000 O 0 0 -3.9020 -8.2494 0.0000 N 0 0 -3.9050 -9.7502 0.0000 C 0 0 -5.2059 -10.4988 0.0000 C 0 0 -5.2089 -11.9996 0.0000 N 0 0 -6.2490 -12.5981 0.0000 C 0 0 -4.1708 -12.6014 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 15 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 14 1 0 6 7 1 0 7 8 1 0 7 18 2 0 8 9 1 0 8 10 1 0 9 13 1 0 9 14 2 0 10 11 2 0 11 12 1 0 11 19 1 0 12 13 2 0 15 16 1 0 15 17 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 M END > 600305 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 600681 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -1.8032 -3.1233 0.0000 N 0 0 -2.4133 -1.7530 0.0000 O 0 0 1.2256 -6.6258 0.0000 C 0 0 2.6929 -6.3137 0.0000 C 0 0 3.6967 -7.4283 0.0000 C 0 0 3.2334 -8.8550 0.0000 C 0 0 1.7663 -9.1671 0.0000 C 0 0 0.7624 -8.0525 0.0000 C 0 0 -0.7049 -8.3679 0.0000 O 0 0 -1.1664 -9.7960 0.0000 C 0 0 -2.6337 -10.1113 0.0000 C 0 0 -3.0952 -11.5394 0.0000 N 0 0 -4.5625 -11.8548 0.0000 C 0 0 -4.9315 -12.9966 0.0000 C 0 0 -2.0911 -12.6549 0.0000 C 0 0 -2.4613 -13.7964 0.0000 C 0 0 0.6890 -4.0818 0.0000 C 0 0 0.2235 -5.5086 0.0000 C 0 0 1.6675 -3.8754 0.0000 H 0 0 -0.7550 -5.7150 0.0000 H 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 2 0 7 24 1 0 8 9 1 0 10 11 2 0 10 15 1 0 10 25 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 22 1 0 20 21 1 0 22 23 1 0 24 25 2 0 24 26 1 0 25 27 1 0 M END > 601101 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.6373 -0.9000 0.0000 O 0 0 1.0392 -3.6000 0.0000 O 0 0 2.3383 1.3500 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 17 1 0 3 4 2 0 3 18 1 0 4 5 1 0 5 6 2 0 5 14 1 0 6 7 1 0 7 8 1 0 7 16 2 0 8 9 2 0 8 10 1 0 9 13 1 0 9 14 1 0 10 11 2 0 11 12 1 0 12 13 2 0 14 15 2 0 M END > 602617 $$$$ SciTegic05042114222D 23 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -2.6024 2.6977 0.0000 O 0 0 -3.8990 0.7455 0.0000 N 0 0 -5.2003 1.4932 0.0000 C 0 0 -5.2024 2.6932 0.0000 O 0 0 -6.4990 0.7409 0.0000 N 0 0 -7.8003 1.4887 0.0000 C 0 0 -9.0994 0.7387 0.0000 C 0 0 -10.3984 1.4886 0.0000 C 0 0 -10.3985 2.9886 0.0000 C 0 0 -9.0995 3.7387 0.0000 C 0 0 -7.8004 2.9887 0.0000 C 0 0 -11.4377 3.5886 0.0000 Cl 0 0 -2.3383 -1.3500 0.0000 F 0 0 0.0031 3.0008 0.0000 N 0 0 1.0432 3.5994 0.0000 C 0 0 -1.0351 3.6026 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 21 1 0 4 5 1 0 4 7 1 0 5 6 2 0 5 20 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 2 0 21 22 1 0 21 23 1 0 M END > 603108 $$$$ SciTegic05042114222D 52 58 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 N 0 0 2.4133 -1.7530 0.0000 N 0 3 1.8032 -3.1233 0.0000 C 0 0 0.3115 -2.9665 0.0000 C 0 0 3.5871 -1.5034 0.0000 C 0 0 2.5536 -4.4230 0.0000 C 0 0 1.9048 -5.7699 0.0000 C 0 0 2.7505 -7.0088 0.0000 C 0 0 4.2462 -6.8959 0.0000 C 0 0 4.8963 -5.5442 0.0000 C 0 0 4.0507 -4.3052 0.0000 C 0 0 5.0949 -8.1338 0.0000 C 0 0 6.5913 -8.0187 0.0000 C 0 0 7.4399 -9.2566 0.0000 C 0 0 8.9363 -9.1415 0.0000 N 0 0 9.5857 -7.7885 0.0000 N 0 0 11.0821 -7.6734 0.0000 C 0 0 11.7315 -6.3204 0.0000 C 0 0 13.2270 -6.2032 0.0000 C 0 0 13.8733 -4.8496 0.0000 C 0 0 13.0242 -3.6130 0.0000 C 0 0 11.5287 -3.7301 0.0000 C 0 0 10.8824 -5.0838 0.0000 C 0 0 13.6680 -2.2573 0.0000 C 0 0 12.8167 -1.0213 0.0000 N 0 0 13.4606 0.3343 0.0000 N 0 0 12.6092 1.5703 0.0000 C 0 0 11.1131 1.4520 0.0000 C 0 0 10.2617 2.6880 0.0000 C 0 0 8.7656 2.5697 0.0000 C 0 0 7.9129 3.8037 0.0000 C 0 0 6.4178 3.6824 0.0000 C 0 0 5.7753 2.3270 0.0000 C 0 0 6.6279 1.0929 0.0000 C 0 0 8.1230 1.2142 0.0000 C 0 0 3.3225 3.3441 0.0000 N 0 3 1.9398 2.7646 0.0000 C 0 0 2.0635 1.2697 0.0000 N 0 0 3.5226 0.9253 0.0000 C 0 0 4.2795 2.2056 0.0000 C 0 0 0.5834 3.4049 0.0000 C 0 0 -0.6494 2.5503 0.0000 C 0 0 -0.5257 1.0554 0.0000 C 0 0 0.8307 0.4151 0.0000 C 0 0 11.7597 -8.6638 0.0000 O 0 0 14.8642 -2.1616 0.0000 O 0 0 3.6048 4.5104 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 7 2 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 9 1 0 7 8 1 0 7 10 1 0 8 9 2 0 8 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 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 22 50 2 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 26 29 1 0 27 28 2 0 29 30 1 0 29 51 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 40 2 0 36 37 2 0 37 38 1 0 38 39 2 0 38 45 1 0 39 40 1 0 41 42 2 0 41 45 1 0 41 52 1 0 42 43 1 0 42 46 1 0 43 44 1 0 43 49 1 0 44 45 2 0 46 47 2 0 47 48 1 0 48 49 2 0 M CHG 2 7 1 41 1 M END > 603169 $$$$ SciTegic05042114222D 12 12 0 0 0 0 999 V2000 2.5800 0.0305 0.0000 C 0 0 1.2990 -0.7500 0.0000 Si 0 0 1.2638 -2.2496 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 Pt 0 2 -1.2636 2.2496 0.0000 Cl 0 5 -2.5801 -0.0303 0.0000 Cl 0 5 -1.2638 -2.2496 0.0000 H 0 0 1.3163 2.2193 0.0000 H 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 4 7 1 0 5 6 1 0 6 8 1 0 6 11 1 0 7 8 1 0 7 12 1 0 8 9 1 0 8 10 1 0 M CHG 3 8 2 9 -1 10 -1 M END > 603577 $$$$ SciTegic05042114222D 14 14 0 0 0 0 999 V2000 0.6428 -0.7660 0.0000 C 0 0 0.0000 0.0000 0.0000 Si 0 0 -0.6428 -0.7660 0.0000 C 0 0 0.8660 0.5000 0.0000 C 0 0 0.8660 1.5000 0.0000 N 0 0 -0.8660 0.5000 0.0000 C 0 0 -0.8660 1.5000 0.0000 N 0 0 0.0000 2.0000 0.0000 Pt 0 0 -0.9511 2.3090 0.0000 Cl 0 5 -0.2216 2.9751 0.0000 Cl 0 5 0.4939 2.8695 0.0000 Cl 0 5 1.1720 2.2577 0.0000 Cl 0 5 1.7983 1.1384 0.0000 H 0 0 -1.6709 2.0934 0.0000 H 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 6 1 0 4 5 1 0 5 8 1 0 5 13 1 0 6 7 1 0 7 8 1 0 7 14 1 0 8 9 1 0 8 10 1 0 8 11 1 0 8 12 1 0 M CHG 5 8 4 9 -1 10 -1 11 -1 12 -1 M END > 603578 $$$$ SciTegic05042114222D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 2.5987 -1.5004 0.0000 N 0 0 3.8991 -0.7525 0.0000 C 0 0 2.8469 -0.1755 0.0000 C 0 0 4.9530 -0.1788 0.0000 C 0 0 5.1969 -1.5045 0.0000 N 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 N 0 0 2.5965 -3.0004 0.0000 C 0 0 1.5563 -3.5988 0.0000 N 0 0 6.4915 -3.7597 0.0000 N 0 0 6.4870 -5.2605 0.0000 C 0 0 5.4458 -5.8570 0.0000 O 0 0 7.7840 -6.0156 0.0000 N 0 0 7.7795 -7.5165 0.0000 S 0 0 6.7422 -6.9132 0.0000 O 0 0 6.7383 -8.1130 0.0000 O 0 0 9.0765 -8.2716 0.0000 C 0 0 9.0711 -9.7716 0.0000 C 0 0 10.3674 -10.5263 0.0000 C 0 0 11.6691 -9.7811 0.0000 C 0 0 11.6746 -8.2811 0.0000 C 0 0 10.3783 -7.5263 0.0000 C 0 0 12.7062 -10.3848 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 9 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 8 1 0 9 10 1 0 9 16 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 22 24 2 0 22 25 1 0 25 26 2 0 25 30 1 0 26 27 1 0 27 28 2 0 28 29 1 0 28 31 1 0 29 30 2 0 M END > 603624 $$$$ SciTegic05042114222D 11 12 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 O 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 2.3383 1.3500 0.0000 O 0 0 -2.4032 -4.1625 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 10 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 11 2 0 M END > 603719 $$$$ SciTegic05042114222D 28 30 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 2 0 0 0 -2.4133 -1.7530 0.0000 N 0 0 -3.8781 -1.4381 0.0000 C 0 0 -4.6828 -2.3283 0.0000 O 0 0 -4.3396 -0.0100 0.0000 C 0 0 2 0 0 0 -4.6466 0.9417 0.0000 H 0 0 -3.5349 0.8802 0.0000 C 0 0 -5.8069 0.3054 0.0000 C 0 0 -6.2683 1.7335 0.0000 S 0 0 -7.7356 2.0489 0.0000 C 0 0 -8.5403 1.1587 0.0000 O 0 0 -8.1971 3.4770 0.0000 C 0 0 -9.6632 3.7943 0.0000 C 0 0 -10.1214 5.2226 0.0000 C 0 0 -9.1137 6.3336 0.0000 C 0 0 -7.6476 6.0164 0.0000 C 0 0 -7.1893 4.5881 0.0000 C 0 0 -1.2895 -3.9813 0.0000 H 0 0 -3.2905 -3.0995 0.0000 C 0 0 -3.8909 -2.0605 0.0000 O 0 0 -3.8904 -4.1388 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 25 1 6 8 26 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 6 12 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 26 27 2 0 26 28 1 0 M END > 604535 $$$$ SciTegic05042114222D 27 26 0 0 0 0 999 V2000 6.5000 0.7500 0.0000 P 0 0 6.5000 1.9500 0.0000 O 0 0 5.4608 1.3502 0.0000 O 0 5 5.2000 0.0000 0.0000 O 0 0 3.9000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 1.3000 0.7500 0.0000 N 0 3 0.2606 0.1503 0.0000 C 0 0 1.3000 1.9500 0.0000 C 0 0 0.2609 1.3502 0.0000 C 0 0 7.7999 0.0000 0.0000 O 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 C 0 0 12.9999 0.0000 0.0000 C 0 0 14.2999 0.7500 0.0000 C 0 0 15.5999 0.0000 0.0000 C 0 0 16.8999 0.7500 0.0000 C 0 0 28.3392 0.1503 0.0000 C 0 0 27.2998 0.7500 0.0000 C 0 0 25.9998 0.0000 0.0000 C 0 0 24.6998 0.7500 0.0000 C 0 0 23.3998 0.0000 0.0000 C 0 0 22.0998 0.7500 0.0000 C 0 0 20.7998 0.0000 0.0000 C 0 0 19.4998 0.7500 0.0000 C 0 0 18.1999 0.0000 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 4 1 0 1 11 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 27 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 M CHG 2 3 -1 7 1 M END > 605583 $$$$ SciTegic05042114222D 16 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 -4.9363 -5.8500 0.0000 N 0 0 0.0000 2.7000 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 16 1 0 4 5 1 0 5 6 2 0 5 14 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 9 13 1 0 9 14 2 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 M END > 605756 $$$$ SciTegic05042114222D 15 15 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 -1.3500 0.0000 N 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.0432 -3.5994 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 3 -2.6024 2.6977 0.0000 O 0 5 -3.6387 0.8962 0.0000 O 0 0 0.0031 3.0008 0.0000 N 0 3 -1.0351 3.6026 0.0000 O 0 5 1.0432 3.5994 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 3 13 1 0 4 5 1 0 4 10 1 0 5 6 2 0 6 8 1 0 8 9 1 0 10 11 1 0 10 12 2 0 13 14 1 0 13 15 2 0 M CHG 4 10 1 11 -1 13 1 14 -1 M END > 606532 $$$$ SciTegic05042114222D 60 66 0 0 0 0 999 V2000 -0.3400 1.0000 0.0000 C 0 0 -2.1700 0.2800 0.0000 C 0 0 -2.6500 -0.4700 0.0000 C 0 0 -0.7600 0.2800 0.0000 C 0 0 0.8100 -0.5600 0.0000 C 0 0 1.2000 0.1200 0.0000 C 0 0 -0.5000 2.2500 0.0000 C 0 0 -0.9100 1.7800 0.0000 C 0 0 2.6500 -0.4900 0.0000 C 0 0 2.3100 -1.3200 0.0000 C 0 0 3.3800 -2.5400 0.0000 C 0 0 3.2205 -3.7294 0.0000 O 0 0 4.5900 -1.7400 0.0000 N 0 0 4.2600 -0.3200 0.0000 C 0 0 4.9559 0.6576 0.0000 O 0 0 -3.0400 1.9100 0.0000 C 0 0 -2.6477 3.0441 0.0000 O 0 0 -4.5400 1.2500 0.0000 N 0 0 -4.4600 -0.3200 0.0000 C 0 0 -5.3219 -1.1549 0.0000 O 0 0 5.9833 -2.2935 0.0000 C 0 0 7.1612 -1.3635 0.0000 O 0 0 9.7339 -0.9875 0.0000 C 0 0 9.5199 0.4980 0.0000 N 0 0 11.1287 -1.5417 0.0000 C 0 0 -5.8234 2.0219 0.0000 C 0 0 -7.1367 1.2953 0.0000 O 0 0 -9.7362 1.3420 0.0000 C 0 0 -9.7662 -0.1586 0.0000 N 0 0 -11.0226 2.1152 0.0000 C 0 0 -11.0803 -0.8837 0.0000 C 0 0 -12.1075 -0.2633 0.0000 O 0 0 -11.1103 -2.3842 0.0000 O 0 0 -12.4243 -3.1093 0.0000 C 0 0 -12.4483 -4.3091 0.0000 C 0 0 -13.4515 -2.4890 0.0000 C 0 0 -13.4752 -3.6886 0.0000 C 0 0 -14.9579 -0.0691 0.0000 C 0 0 -14.9336 1.4307 0.0000 C 0 0 -13.6226 2.1595 0.0000 C 0 0 -12.3358 1.3886 0.0000 C 0 0 -12.3602 -0.1113 0.0000 C 0 0 -13.6712 -0.8401 0.0000 C 0 0 12.3065 -0.6116 0.0000 C 0 0 13.7014 -1.1634 0.0000 C 0 0 14.8767 -0.2315 0.0000 C 0 0 14.6573 1.2524 0.0000 C 0 0 13.2625 1.8043 0.0000 C 0 0 12.0872 0.8723 0.0000 C 0 0 10.6989 1.4267 0.0000 C 0 0 11.8131 0.9814 0.0000 O 0 0 10.4849 2.9122 0.0000 O 0 0 11.6638 3.8410 0.0000 C 0 0 11.4928 5.0288 0.0000 C 0 0 12.7781 3.3956 0.0000 C 0 0 12.6068 4.5832 0.0000 C 0 0 8.5560 -1.9176 0.0000 C 0 0 8.7295 -3.1050 0.0000 O 0 0 -8.4230 2.0685 0.0000 C 0 0 -8.4015 3.2683 0.0000 O 0 0 1 2 1 0 1 6 1 0 1 7 1 0 2 3 1 0 2 16 1 0 3 4 1 0 3 19 1 0 4 5 1 0 4 8 1 0 5 6 1 0 5 10 1 0 6 9 1 0 7 8 2 0 9 10 1 0 9 14 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 21 1 0 14 15 2 0 16 17 2 0 16 18 1 0 18 19 1 0 18 26 1 0 19 20 2 0 21 22 1 0 22 57 1 0 23 24 1 0 23 25 1 0 23 57 1 0 24 50 1 0 25 44 1 0 26 27 1 0 27 59 1 0 28 29 1 0 28 30 1 0 28 59 1 0 29 31 1 0 30 41 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 38 39 2 0 38 43 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 44 45 2 0 44 49 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 57 58 2 0 59 60 2 0 M END > 607316 $$$$ SciTegic05042114222D 13 13 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 -1.3500 0.0000 F 0 0 -2.6003 1.4977 0.0000 S 0 0 -5.2003 1.4932 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -6.2387 0.8917 0.0000 Cl 0 0 -3.8995 -0.7554 0.0000 C 0 0 -4.9385 -1.3557 0.0000 Cl 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 8 1 0 5 6 2 0 8 10 1 0 9 10 1 0 9 11 1 0 10 12 1 0 12 13 1 0 M END > 607347 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 6.4458 -1.8433 0.0000 C 0 0 7.1563 -0.5278 0.0000 C 0 0 8.6557 -0.4861 0.0000 C 0 0 9.4415 -1.7638 0.0000 C 0 0 8.7279 -3.0832 0.0000 C 0 0 7.2285 -3.1249 0.0000 C 0 0 10.9419 -1.7251 0.0000 N 0 3 11.5146 -0.6706 0.0000 O 0 5 11.5691 -2.7482 0.0000 O 0 0 1 2 2 0 1 5 1 0 2 3 1 0 2 13 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 12 1 0 10 11 2 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 2 0 19 20 1 0 19 21 2 0 M CHG 2 19 1 20 -1 M END > 610744 $$$$ SciTegic05042114222D 16 16 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.0432 -3.5994 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.0432 3.5994 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -2.6024 2.6977 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2387 0.8917 0.0000 Br 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 3 10 1 0 4 5 1 0 4 12 1 0 5 6 2 0 6 8 1 0 8 9 1 0 10 11 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 M END > 611750 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3092 -5.2494 0.0000 C 0 0 -2.6108 -5.9949 0.0000 C 0 0 -3.9072 -5.2404 0.0000 C 0 0 -3.9020 -3.7404 0.0000 C 0 0 -2.6004 -2.9949 0.0000 C 0 0 1.2953 -3.7535 0.0000 C 0 0 1.2948 -5.2535 0.0000 C 0 0 2.5936 -6.0040 0.0000 C 0 0 3.8929 -5.2545 0.0000 C 0 0 3.8935 -3.7545 0.0000 C 0 0 2.5947 -3.0040 0.0000 C 0 0 -5.2111 -5.9837 0.0000 O 0 0 5.1939 -6.0027 0.0000 O 0 0 -6.5072 -5.2269 0.0000 C 0 0 -7.5497 -5.8212 0.0000 O 0 0 -6.5009 -4.0270 0.0000 C 0 0 6.4929 -5.2510 0.0000 C 0 0 7.5331 -5.8492 0.0000 O 0 0 6.4913 -4.0510 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 14 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 20 1 0 12 13 2 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 21 1 0 18 19 2 0 20 22 1 0 21 25 1 0 22 23 2 0 22 24 1 0 25 26 2 0 25 27 1 0 M END > 614826 $$$$ SciTegic05042114222D 11 11 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 O 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 2.3548 0.7651 0.0000 O 0 0 -1.0481 1.8603 0.0000 C 0 0 1.0480 1.8605 0.0000 C 0 0 -1.4454 1.5717 0.0000 C 0 0 -2.0933 -0.4218 0.0000 C 0 0 -1.4553 -2.0031 0.0000 O 0 0 1 2 1 0 1 5 1 0 2 3 1 0 2 6 1 0 3 4 1 0 3 7 1 0 3 8 1 0 4 5 1 0 4 9 1 0 4 10 1 0 5 11 1 0 M END > 614928 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 615593 $$$$ SciTegic05042114222D 16 15 0 0 0 0 999 V2000 0.2606 0.1503 0.0000 Br 0 0 1.3000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 2.6000 -1.2000 0.0000 O 0 0 3.9000 0.7500 0.0000 C 0 0 3.9000 1.9500 0.0000 O 0 0 5.2000 0.0000 0.0000 C 0 0 5.2000 -1.2000 0.0000 O 0 0 6.5000 0.7500 0.0000 C 0 0 6.5000 1.9500 0.0000 O 0 0 7.7999 0.0000 0.0000 C 0 0 8.8394 0.5997 0.0000 Br 0 0 1.7340 -0.5001 0.0000 H 0 0 3.0340 1.2501 0.0000 H 0 0 4.3340 -0.5001 0.0000 H 0 0 7.3659 1.2501 0.0000 H 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 3 13 1 0 5 6 1 0 5 7 1 0 5 14 1 0 7 8 1 0 7 9 1 0 7 15 1 0 9 10 1 0 9 11 1 0 9 16 1 0 11 12 1 0 M END > 616232 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.7248 -1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.1884 -2.6409 0.0000 C 0 0 -2.3979 -3.8950 0.0000 O 0 0 -3.3718 -5.0359 0.0000 C 0 0 -4.7578 -4.4622 0.0000 C 0 0 -4.6405 -2.9668 0.0000 C 0 0 -3.0247 -6.4934 0.0000 C 0 0 -4.1145 -7.5252 0.0000 O 0 0 -3.7668 -8.9852 0.0000 Si 0 0 -2.6168 -9.3277 0.0000 C 0 0 -2.8950 -8.1606 0.0000 C 0 0 -4.8567 -10.0170 0.0000 C 0 0 -4.5787 -11.1843 0.0000 C 0 0 -6.0068 -9.6745 0.0000 C 0 0 -5.7285 -10.8416 0.0000 C 0 0 1 2 1 0 1 7 2 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 11 1 0 9 10 2 0 11 12 1 0 11 15 1 0 12 13 1 0 13 14 1 0 13 16 1 0 14 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 M END > 616355 $$$$ SciTegic05042114222D 28 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9117 -8.2482 0.0000 C 0 0 -3.9148 -9.7490 0.0000 C 0 0 -5.2156 -10.4976 0.0000 C 0 0 -5.2187 -11.9984 0.0000 C 0 0 -6.5195 -12.7469 0.0000 C 0 0 -6.5226 -14.2478 0.0000 C 0 0 -5.2249 -15.0017 0.0000 C 0 0 -5.2279 -16.5025 0.0000 C 0 0 -7.3898 -14.7457 0.0000 H 0 0 -7.3847 -12.2454 0.0000 H 0 0 -3.9302 -17.2564 0.0000 C 0 0 -3.9333 -18.7572 0.0000 C 0 0 -2.6356 -19.5111 0.0000 C 0 0 -2.6380 -20.7111 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 2.5972 1.5031 0.0000 O 0 0 2.5955 2.7031 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 26 1 0 2 3 1 0 2 27 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 17 20 1 0 18 19 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 27 28 1 0 M END > 617540 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 617570 $$$$ SciTegic05042114222D 29 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.6003 1.4978 0.0000 N 0 3 2.6024 2.6978 0.0000 O 0 5 3.6387 0.8963 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.3021 -5.2508 0.0000 O 0 0 -2.3422 -5.8494 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.2149 3.8587 0.0000 O 0 0 1.2121 3.8625 0.0000 C 0 0 0.7463 5.2884 0.0000 O 0 0 -0.7536 5.2860 0.0000 C 0 0 -1.9448 5.1408 0.0000 C 0 0 -0.2511 6.3757 0.0000 C 0 0 2.6374 3.3926 0.0000 C 0 0 3.1873 2.0161 0.0000 O 0 0 3.7545 4.3760 0.0000 C 0 0 5.0332 3.5919 0.0000 O 0 0 4.6827 2.1334 0.0000 C 0 0 4.2650 1.0085 0.0000 C 0 0 5.8593 2.3693 0.0000 C 0 0 1 2 2 0 1 9 1 0 2 3 1 0 2 6 1 0 3 4 1 0 3 5 2 0 6 7 1 0 6 16 1 0 7 8 1 0 8 9 1 0 8 13 2 0 9 10 2 0 10 11 1 0 11 12 2 0 11 14 1 0 12 13 1 0 14 15 1 0 16 17 1 0 16 18 1 0 17 20 1 0 18 19 1 0 18 23 1 0 19 20 1 0 20 21 1 0 20 22 1 0 23 24 1 0 23 25 1 0 24 27 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 M CHG 2 3 1 4 -1 M END > 618261 $$$$ SciTegic05042114222D 14 15 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 O 0 0 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 2.7000 0.0000 O 0 0 -4.9363 -1.3500 0.0000 Br 0 0 -4.9364 1.3500 0.0000 Br 0 0 1 2 1 0 1 5 2 0 2 3 2 0 3 4 1 0 4 6 2 0 4 11 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 10 14 1 0 11 12 2 0 M END > 618332 > 13243-65-7 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 -2.4135 -4.4924 0.0000 C 0 0 -1.5318 -5.7059 0.0000 N 0 0 -0.0400 -5.5491 0.0000 C 0 0 0.5701 -4.1788 0.0000 C 0 0 -3.9058 -4.6517 0.0000 C 0 0 -4.5149 -6.0234 0.0000 C 0 0 -6.0072 -6.1827 0.0000 C 0 0 -6.6162 -7.5544 0.0000 Si 0 0 -7.8095 -7.6818 0.0000 C 0 0 -7.1027 -8.6514 0.0000 C 0 0 -5.9096 -8.5243 0.0000 C 0 0 -6.8885 -4.9679 0.0000 C 0 0 -6.4003 -3.8717 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 9 1 0 6 7 1 0 7 8 2 0 7 13 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 14 1 0 11 12 1 0 12 13 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 21 2 0 17 18 1 0 17 19 1 0 17 20 1 0 21 22 1 0 M END > 619165 > 83665-54-7 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 619907 $$$$ SciTegic05042114222D 13 13 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5972 -1.5031 0.0000 S 0 0 -3.6375 -0.9049 0.0000 O 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 -4.9336 -3.1588 0.0000 O 0 0 -3.8912 -5.2578 0.0000 O 0 0 -4.9292 -5.8600 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 M END > 620050 $$$$ SciTegic05042114222D 19 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -3.8969 -0.4545 0.0000 O 0 0 -5.2003 1.4932 0.0000 N 0 0 -6.4990 0.7409 0.0000 C 0 0 -6.4995 -0.7599 0.0000 C 0 0 -7.5385 -1.3602 0.0000 O 0 0 -5.4602 -1.3599 0.0000 O 0 0 -7.8003 1.4887 0.0000 C 0 0 -9.0990 0.7364 0.0000 C 0 0 -10.4003 1.4841 0.0000 C 0 0 -11.4386 0.8826 0.0000 O 0 0 -10.4024 2.6841 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 11 15 1 0 12 13 2 0 12 14 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > 620261 $$$$ SciTegic05042114222D 24 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -2.6061 2.9986 0.0000 C 0 0 -3.9082 3.7448 0.0000 C 0 0 -3.9139 5.2457 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -3.9185 6.4456 0.0000 N 0 0 -7.5374 0.1394 0.0000 N 0 0 1.2905 -5.2533 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 1.2948 -3.7533 0.0000 C 0 0 -0.0022 -2.9997 0.0000 C 0 0 -1.3034 -3.7460 0.0000 C 0 0 -1.3076 -5.2460 0.0000 C 0 0 -2.3485 -5.8430 0.0000 F 0 0 -0.0107 -5.9996 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 17 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 7 8 1 0 7 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 11 14 3 0 12 13 1 0 13 15 3 0 16 24 2 0 16 19 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > 620277 $$$$ SciTegic05042114222D 28 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -2.6061 2.9986 0.0000 C 0 0 -3.9082 3.7448 0.0000 C 0 0 -3.9139 5.2457 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -3.9185 6.4456 0.0000 N 0 0 -7.5374 0.1394 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 1.2905 -5.2533 0.0000 C 0 0 -0.0107 -5.9996 0.0000 C 0 0 1.2948 -3.7533 0.0000 C 0 0 -1.3076 -5.2460 0.0000 C 0 0 -1.3034 -3.7460 0.0000 C 0 0 -0.0022 -2.9997 0.0000 C 0 0 -2.6110 -5.9900 0.0000 C 0 0 -2.6165 -7.1900 0.0000 O 0 0 -3.9076 -5.2341 0.0000 O 0 0 -5.2110 -5.9782 0.0000 C 0 0 -6.2476 -5.3738 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 16 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 7 8 1 0 7 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 11 14 3 0 12 13 1 0 13 15 3 0 16 17 2 0 17 20 1 0 18 19 1 0 18 20 2 0 19 21 2 0 20 23 1 0 21 22 1 0 21 24 1 0 22 23 2 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 M END > 620279 $$$$ SciTegic05042114222D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -2.6061 2.9986 0.0000 C 0 0 -3.9082 3.7448 0.0000 C 0 0 -3.9139 5.2457 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -3.9185 6.4456 0.0000 N 0 0 -7.5374 0.1394 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 1.2948 -3.7533 0.0000 C 0 0 1.1527 -5.2337 0.0000 C 0 0 -0.3154 -5.5414 0.0000 N 0 0 -1.0617 -4.2403 0.0000 N 0 0 -0.0549 -3.1284 0.0000 C 0 0 2.0470 -6.0339 0.0000 C 0 0 -0.8066 -6.6363 0.0000 C 0 0 -2.5538 -4.0792 0.0000 C 0 0 -3.5236 -5.2169 0.0000 C 0 0 -4.9986 -4.9442 0.0000 C 0 0 -5.4999 -3.5304 0.0000 C 0 0 -4.5261 -2.3894 0.0000 C 0 0 -3.0511 -2.6622 0.0000 C 0 0 -0.2940 -1.9525 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 16 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 7 8 1 0 7 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 11 14 3 0 12 13 1 0 13 15 3 0 16 17 2 0 17 18 1 0 18 19 2 0 18 22 1 0 19 20 1 0 19 23 1 0 20 21 1 0 20 24 1 0 21 22 1 0 21 25 1 0 22 31 2 0 25 26 1 0 25 30 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > 620280 $$$$ SciTegic05042114222D 27 30 0 0 1 0 999 V2000 -1.5749 1.2999 0.0000 C 0 0 -2.1250 0.7500 0.0000 C 0 0 -2.1250 0.1999 0.0000 C 0 0 -1.5749 -0.3499 0.0000 C 0 0 -1.0249 0.1999 0.0000 C 0 0 2 0 0 0 -1.0249 0.7500 0.0000 C 0 0 -0.4749 1.2999 0.0000 C 0 0 1 0 0 0 -1.0249 1.2999 0.0000 C 0 0 -1.0249 -0.3499 0.0000 H 0 0 -1.0249 -0.8999 0.0000 C 0 0 -2.1250 -0.8999 0.0000 C 0 0 -0.4749 -0.3499 0.0000 C 0 0 0.0749 0.1999 0.0000 C 0 0 0.0749 0.7500 0.0000 C 0 0 -0.4749 0.7500 0.0000 H 0 0 -0.4749 1.8499 0.0000 C 0 0 0.0749 2.3999 0.0000 C 0 0 0.6250 1.8499 0.0000 C 0 0 0.6250 1.2999 0.0000 C 0 0 1.1749 0.7500 0.0000 C 0 0 1.7249 1.8499 0.0000 C 0 0 2.2749 2.3999 0.0000 C 0 0 0.6250 2.3999 0.0000 O 0 0 1.7249 0.1999 0.0000 O 0 0 -2.1250 -1.4499 0.0000 O 0 0 -2.6749 -0.8999 0.0000 O 0 0 -3.2249 -0.3499 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 10 1 0 11 4 1 0 5 6 1 0 5 9 1 1 5 12 1 0 6 7 1 0 8 6 1 0 7 14 1 0 7 15 1 1 7 16 1 0 11 25 2 0 11 26 1 0 12 13 1 0 13 14 1 0 19 14 1 0 14 20 1 0 16 17 1 0 17 18 1 0 19 18 1 0 18 21 1 0 18 23 1 0 20 21 1 0 20 24 2 0 21 22 2 0 26 27 1 0 M END > 620358 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 N 0 0 4.0312 -5.2378 0.0000 C 0 0 5.4984 -5.5497 0.0000 N 0 0 6.2484 -4.2507 0.0000 N 0 0 5.2447 -3.1359 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.4872 -1.9607 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.1347 -6.0355 0.0000 O 0 0 6.1107 -6.9172 0.0000 C 0 0 7.6035 -7.0719 0.0000 C 0 0 5.4070 -7.8892 0.0000 O 0 0 8.2184 -8.4401 0.0000 C 0 0 8.4810 -5.8553 0.0000 C 0 0 9.9734 -6.0069 0.0000 C 0 0 10.5882 -7.3751 0.0000 N 0 0 9.7108 -8.5917 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 1 6 1 0 1 8 2 0 2 3 1 0 2 6 1 0 2 15 2 0 3 4 1 0 3 16 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 10 1 0 9 14 2 0 10 11 2 0 11 12 1 0 12 13 2 0 12 24 1 0 13 14 1 0 16 17 1 0 16 18 2 0 17 19 1 0 17 20 2 0 19 23 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > 621094 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 3 -2.5981 -2.7000 0.0000 O 0 5 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 3 -2.5981 2.7000 0.0000 O 0 5 -4.9363 -1.3500 0.0000 C 0 0 -5.1953 1.5031 0.0000 C 0 0 -6.2356 0.9049 0.0000 O 0 0 -5.1932 3.0039 0.0000 C 0 0 -6.4914 3.7570 0.0000 C 0 0 -6.4893 5.2578 0.0000 C 0 0 -7.7857 6.0124 0.0000 C 0 0 -7.7805 7.5124 0.0000 C 0 0 -6.4789 8.2579 0.0000 C 0 0 -5.1825 7.5034 0.0000 C 0 0 -5.1876 6.0034 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -9.0896 5.2692 0.0000 N 0 3 -9.0959 4.0692 0.0000 O 0 5 -10.1259 5.8743 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 25 1 0 2 3 1 0 2 24 1 0 3 4 2 0 4 5 1 0 4 11 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 9 13 1 0 10 11 2 0 10 14 1 0 11 12 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 19 26 1 0 20 21 2 0 21 22 1 0 22 23 2 0 26 27 1 0 26 28 2 0 M CHG 6 7 1 8 -1 11 1 12 -1 26 1 27 -1 M END > 621486 $$$$ SciTegic05042114222D 11 11 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -2.3548 0.7651 0.0000 O 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.6281 -2.2462 0.0000 C 0 0 -1.0157 -3.6164 0.0000 N 0 3 -1.7190 -4.5887 0.0000 C 0 0 0.1779 -3.7398 0.0000 C 0 0 -0.5255 -4.7117 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 M CHG 1 8 1 M END > 621889 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 622116 $$$$ SciTegic05042114222D 25 26 0 0 0 0 999 V2000 5.9880 2.5249 0.0000 N 0 0 7.1276 2.9011 0.0000 C 0 0 5.0928 3.3240 0.0000 C 0 0 5.6819 1.0556 0.0000 C 0 0 6.5772 0.2566 0.0000 S 0 0 4.2568 0.5852 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 4.2010 -3.2956 0.0000 S 0 0 4.9531 -1.9978 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.6003 1.4977 0.0000 O 0 0 -3.6387 0.8962 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.6137 -3.9759 0.0000 N 0 0 1.9143 -5.4464 0.0000 C 0 0 3.0527 -5.8258 0.0000 S 0 0 0.7917 -6.4425 0.0000 N 0 0 1.0320 -7.6182 0.0000 C 0 0 -0.3467 -6.0631 0.0000 C 0 0 1 2 1 0 1 3 1 0 1 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 8 12 1 0 9 10 1 0 9 20 2 0 10 11 1 0 12 13 1 0 12 19 2 0 13 14 2 0 14 15 1 0 15 16 1 0 15 18 2 0 16 17 1 0 18 19 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 23 25 1 0 M END > 622586 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 -5.1807 -3.9234 0.0000 N 0 0 -6.0762 -4.7221 0.0000 C 0 0 -5.4250 -2.7485 0.0000 C 0 0 -3.7552 -4.3929 0.0000 C 0 0 -3.5108 -5.5678 0.0000 S 0 0 -2.6352 -3.3939 0.0000 N 0 0 -1.2122 -3.8625 0.0000 C 0 0 0.0000 -3.0008 0.0000 N 0 0 1.2149 -3.8587 0.0000 C 0 0 0.7536 -5.2860 0.0000 S 0 0 -0.7464 -5.2884 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.4133 1.7530 0.0000 O 0 0 -1.8032 3.1233 0.0000 C 0 0 -0.3115 2.9665 0.0000 O 0 0 2.6364 -3.3855 0.0000 N 0 0 3.7596 -4.3810 0.0000 C 0 0 3.5189 -5.5566 0.0000 S 0 0 5.1836 -3.9069 0.0000 N 0 0 6.0816 -4.7028 0.0000 C 0 0 5.4242 -2.7313 0.0000 C 0 0 1 2 1 0 1 3 1 0 1 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 8 17 1 0 9 10 1 0 9 21 2 0 10 11 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 14 20 1 0 15 16 1 0 15 18 1 0 16 17 2 0 18 19 1 0 19 20 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 26 1 0 M END > 622589 $$$$ SciTegic05042114222D 15 16 0 0 0 0 999 V2000 1.6281 -2.2462 0.0000 N 0 0 1.0157 -3.6164 0.0000 C 0 0 0.7500 -1.0323 0.0000 C 0 0 -0.7500 -1.0261 0.0000 S 0 0 -1.2076 0.4024 0.0000 S 0 0 0.0096 1.2791 0.0000 C 0 0 1.2195 0.3924 0.0000 N 0 0 1.8954 -4.8324 0.0000 C 0 0 1.4190 -6.2413 0.0000 O 0 0 2.6325 -7.1230 0.0000 C 0 0 3.8460 -6.2414 0.0000 C 0 0 3.3825 -4.8148 0.0000 C 0 0 0.0189 2.7773 0.0000 N 0 0 1.0615 3.3715 0.0000 C 0 0 -1.0167 3.3834 0.0000 C 0 0 1 2 1 0 1 3 2 0 2 8 1 0 3 4 1 0 3 7 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 13 1 0 8 9 1 0 8 12 2 0 9 10 1 0 10 11 2 0 11 12 1 0 13 14 1 0 13 15 1 0 M END > 622608 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 O 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -4.9500 0.0000 O 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.6373 -0.9000 0.0000 C 0 0 -3.8994 -3.7478 0.0000 C 0 0 -5.1981 -2.9955 0.0000 C 0 0 -6.4993 -3.7432 0.0000 C 0 0 -6.5014 -4.9432 0.0000 O 0 0 -7.7980 -2.9910 0.0000 O 0 0 -9.0993 -3.7387 0.0000 C 0 0 -10.1377 -3.1372 0.0000 C 0 0 1 2 2 0 1 8 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 13 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 M END > 622616 $$$$ SciTegic05042114222D 18 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 Cl 0 0 0.0031 -3.0008 0.0000 N 0 3 -1.0351 -3.6026 0.0000 O 0 5 1.0432 -3.5993 0.0000 O 0 0 -2.5973 1.5031 0.0000 N 0 3 -3.6375 0.9049 0.0000 O 0 5 -2.5956 2.7031 0.0000 O 0 0 2.5988 1.5004 0.0000 C 0 0 3.6384 0.9011 0.0000 F 0 0 2.5984 2.7004 0.0000 F 0 0 3.6377 2.1009 0.0000 F 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 15 1 0 3 4 2 0 4 5 1 0 4 12 1 0 5 6 2 0 5 7 1 0 6 9 1 0 7 8 1 0 9 10 1 0 9 11 2 0 12 13 1 0 12 14 2 0 15 16 1 0 15 17 1 0 15 18 1 0 M CHG 4 9 1 10 -1 12 1 13 -1 M END > 622627 $$$$ SciTegic05042114222D 19 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 2.6003 -1.4977 0.0000 N 0 3 2.6024 -2.6977 0.0000 O 0 5 3.6387 -0.8963 0.0000 O 0 0 -2.6003 -1.4978 0.0000 N 0 3 -2.6024 -2.6978 0.0000 O 0 5 -3.6387 -0.8963 0.0000 O 0 0 0.0000 3.0008 0.0000 C 0 0 1.0388 3.6015 0.0000 F 0 0 -1.0394 3.6005 0.0000 F 0 0 -0.0006 4.2008 0.0000 F 0 0 -1.0432 -3.5994 0.0000 O 0 0 1.0351 -3.6026 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 8 1 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 18 2 0 7 19 1 0 8 9 1 0 8 10 2 0 11 12 1 0 11 13 2 0 14 15 1 0 14 16 1 0 14 17 1 0 M CHG 4 8 1 9 -1 11 1 12 -1 M END > 622640 $$$$ SciTegic05042114222D 16 16 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 S 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.2688 -5.8520 0.0000 N 0 0 -2.6078 -5.9988 0.0000 N 0 0 -2.6109 -7.4996 0.0000 C 0 0 -1.5727 -8.1014 0.0000 O 0 0 -3.9117 -8.2482 0.0000 O 0 0 -3.9148 -9.7490 0.0000 C 0 0 -4.9549 -10.3475 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 M END > 622684 $$$$ SciTegic05042114222D 15 16 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 S 0 0 1.2135 0.3943 0.0000 S 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 N 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.6332 -2.2426 0.0000 N 0 0 -2.8264 -2.1154 0.0000 C 0 0 -1.1470 -3.3397 0.0000 C 0 0 0.0000 2.7767 0.0000 C 0 0 1.2803 3.5354 0.0000 C 0 0 0.9297 4.9939 0.0000 C 0 0 -0.5657 5.1112 0.0000 N 0 0 -1.1393 3.7252 0.0000 C 0 0 -2.3044 3.4376 0.0000 C 0 0 1.7089 5.9066 0.0000 C 0 0 1 2 1 0 1 5 1 0 2 3 1 0 3 4 1 0 3 9 2 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 1 0 9 10 1 0 9 13 1 0 10 11 2 0 11 12 1 0 11 15 1 0 12 13 2 0 13 14 1 0 M END > 622690 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 5.1903 1.5091 0.0000 C 0 0 6.4920 0.7636 0.0000 C 0 0 7.5291 1.3672 0.0000 Cl 0 0 6.4972 -0.7364 0.0000 C 0 0 5.2007 -1.4909 0.0000 C 0 0 3.8990 -0.7455 0.0000 C 0 0 3.8939 0.7546 0.0000 C 0 0 2.6003 -1.4977 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.6105 -5.2165 0.0000 C 0 0 -3.1023 -5.3733 0.0000 N 0 0 -3.7124 -4.0030 0.0000 N 0 0 -4.8861 -3.7534 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 1 2 2 0 1 7 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 22 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 21 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 M END > 622732 $$$$ SciTegic05042114222D 27 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -0.3114 -2.9665 0.0000 N 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4133 -1.7530 0.0000 O 0 0 -2.5536 -4.4230 0.0000 C 0 0 -4.0445 -4.5346 0.0000 C 0 0 -4.6946 -5.8864 0.0000 C 0 0 -3.8490 -7.1253 0.0000 N 0 0 -2.3532 -7.0124 0.0000 C 0 0 -1.7031 -5.6606 0.0000 C 0 0 -0.5066 -5.5685 0.0000 O 0 0 -1.6767 -8.0036 0.0000 O 0 0 -4.4994 -8.4778 0.0000 C 0 0 -5.9950 -8.5931 0.0000 C 0 0 -6.6430 -9.9459 0.0000 C 0 0 -5.7954 -11.1835 0.0000 C 0 0 -4.2998 -11.0683 0.0000 C 0 0 -3.6519 -9.7154 0.0000 C 0 0 -4.7207 -3.5433 0.0000 O 0 0 -5.8912 -5.9767 0.0000 O 0 0 -6.3138 -12.2658 0.0000 Cl 0 0 -6.6731 -7.6031 0.0000 C 0 0 1 2 1 0 1 5 2 0 2 3 2 0 3 4 1 0 4 6 2 0 5 6 1 0 5 7 1 0 6 9 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 15 1 0 11 12 1 0 11 24 2 0 12 13 1 0 12 25 2 0 13 14 1 0 13 18 1 0 14 15 1 0 14 17 2 0 15 16 2 0 18 19 1 0 18 23 2 0 19 20 2 0 19 27 1 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 M END > 623051 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5955 2.7031 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 1.2135 0.0000 S 0 0 -5.1047 0.0031 0.0000 N 0 0 -5.8532 1.3039 0.0000 C 0 0 -5.2514 2.3421 0.0000 O 0 0 -7.3541 1.3070 0.0000 C 0 0 -7.9559 0.2689 0.0000 O 0 0 -8.1026 2.6079 0.0000 C 0 0 -9.6034 2.6110 0.0000 C 0 0 -10.2053 1.5728 0.0000 O 0 0 -10.3520 3.9118 0.0000 C 0 0 -11.8520 3.9171 0.0000 C 0 0 -12.5975 5.2187 0.0000 C 0 0 -11.8430 6.5152 0.0000 C 0 0 -10.3430 6.5100 0.0000 C 0 0 -9.5975 5.2083 0.0000 C 0 0 -12.4394 7.5565 0.0000 Cl 0 0 1 2 2 0 1 8 1 0 2 3 1 0 2 5 1 0 3 4 1 0 5 6 2 0 6 7 1 0 6 11 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 20 25 2 0 21 22 2 0 22 23 1 0 23 24 2 0 23 26 1 0 24 25 1 0 M END > 623059 $$$$ SciTegic05042114222D 39 42 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 2.5987 1.5004 0.0000 C 0 0 2.5964 3.0005 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 3.8990 0.7525 0.0000 C 0 0 3.9046 -0.7483 0.0000 N 0 0 5.2066 -1.4947 0.0000 C 0 0 6.2438 -0.8912 0.0000 O 0 0 5.2122 -2.9956 0.0000 C 0 0 6.2532 -3.5924 0.0000 F 0 0 5.2160 -4.1956 0.0000 F 0 0 4.1750 -3.5991 0.0000 F 0 0 -2.3383 -1.3500 0.0000 S 0 0 -2.6024 2.6977 0.0000 S 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8990 0.7455 0.0000 N 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4994 0.7432 0.0000 C 0 0 -7.7985 1.4932 0.0000 C 0 0 -7.7985 2.9932 0.0000 C 0 0 -6.4995 3.7432 0.0000 C 0 0 -5.2004 2.9933 0.0000 C 0 0 0.0031 -3.0008 0.0000 C 0 0 -1.0351 -3.6026 0.0000 S 0 0 1.3039 -3.7494 0.0000 N 0 0 1.3070 -5.2502 0.0000 C 0 0 2.6060 -6.0003 0.0000 C 0 0 2.6061 -7.5003 0.0000 C 0 0 1.3071 -8.2503 0.0000 C 0 0 0.0080 -7.5003 0.0000 C 0 0 0.0080 -6.0003 0.0000 C 0 0 1 2 2 0 1 7 1 0 2 3 1 0 2 8 1 0 3 4 2 0 3 5 1 0 5 6 1 0 5 23 1 0 6 7 1 0 6 21 2 0 7 31 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 25 30 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 34 39 2 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 M END > 623093 $$$$ SciTegic05042114222D 34 37 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 2.5987 1.5004 0.0000 C 0 0 2.5964 3.0005 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 3.8990 0.7525 0.0000 C 0 0 3.9046 -0.7483 0.0000 N 0 0 5.2066 -1.4947 0.0000 C 0 0 6.2438 -0.8912 0.0000 O 0 0 5.2122 -2.9956 0.0000 C 0 0 6.2532 -3.5924 0.0000 F 0 0 5.2160 -4.1956 0.0000 F 0 0 4.1750 -3.5991 0.0000 F 0 0 -2.4133 -1.7530 0.0000 S 0 0 -1.8032 -3.1233 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 0.4916 -3.8582 0.0000 O 0 0 -2.5550 -4.4193 0.0000 C 0 0 -1.8082 -5.7210 0.0000 C 0 0 -2.5590 -7.0196 0.0000 C 0 0 -1.8098 -8.3192 0.0000 C 0 0 -0.3098 -8.3202 0.0000 C 0 0 0.4424 -9.6189 0.0000 N 0 0 1.6424 -9.6180 0.0000 C 0 0 -0.1565 -10.6588 0.0000 C 0 0 0.4410 -7.0217 0.0000 C 0 0 -0.3081 -5.7221 0.0000 C 0 0 1 2 2 0 1 7 1 0 2 3 1 0 2 8 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 6 21 1 0 7 23 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 21 22 1 0 22 23 1 0 22 25 2 0 23 24 2 0 25 26 1 0 26 27 2 0 26 34 1 0 27 28 1 0 28 29 2 0 29 30 1 0 29 33 1 0 30 31 1 0 30 32 1 0 33 34 2 0 M END > 623095 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -5.2500 0.0000 C 0 0 -2.5981 -6.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -3.8971 -3.7500 0.0000 C 0 0 0.0000 -6.0000 0.0000 C 0 0 0.0000 -7.5000 0.0000 C 0 0 -1.2990 -8.2500 0.0000 C 0 0 -2.5981 -7.5000 0.0000 C 0 0 -3.8994 -0.7523 0.0000 C 0 0 1.0392 -3.6000 0.0000 C 0 0 -4.9363 -5.8500 0.0000 F 0 0 -6.4994 -0.7568 0.0000 C 0 0 -6.5014 0.4432 0.0000 C 0 0 -5.1981 -1.5045 0.0000 O 0 0 -7.5377 -1.3583 0.0000 O 0 0 1 2 2 0 1 3 1 0 2 6 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 10 1 0 5 6 2 0 7 8 2 0 7 20 1 0 8 9 1 0 8 11 1 0 9 10 2 0 9 14 1 0 10 19 1 0 11 12 2 0 11 15 1 0 12 13 1 0 12 18 1 0 13 14 2 0 13 21 1 0 15 16 2 0 16 17 1 0 17 18 2 0 19 24 1 0 22 23 1 0 22 24 1 0 22 25 2 0 M END > 623135 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8994 -0.7523 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -4.9500 0.0000 O 0 0 0.0000 -3.0000 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -5.1981 -1.5046 0.0000 O 0 0 -6.4994 -0.7568 0.0000 C 0 0 -7.7984 -1.5068 0.0000 C 0 0 -7.8015 -3.0076 0.0000 C 0 0 -6.7634 -3.6095 0.0000 O 0 0 -9.1024 -3.7562 0.0000 O 0 0 -9.1048 -4.9562 0.0000 C 0 0 -9.0975 -0.7568 0.0000 C 0 0 -9.0976 0.7432 0.0000 C 0 0 -7.7985 1.4932 0.0000 C 0 0 -6.4995 0.7432 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 1 2 1 0 1 12 2 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 5 12 1 0 6 7 1 0 6 8 2 0 7 13 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 13 14 1 0 14 15 1 0 14 23 2 0 15 16 1 0 15 20 2 0 16 17 2 0 16 18 1 0 18 19 1 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > 623637 $$$$ SciTegic05042114222D 30 32 0 0 0 0 999 V2000 3.3372 -5.2929 0.0000 C 0 0 3.8056 -3.8679 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.3786 -3.8595 0.0000 S 0 0 1.8372 -5.2877 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -4.0317 -0.7359 0.0000 S 0 0 -5.4979 -1.0529 0.0000 C 0 0 -6.2524 0.2436 0.0000 C 0 0 -5.2526 1.3618 0.0000 C 0 0 4.0391 -6.2662 0.0000 O 0 0 5.2276 -3.3960 0.0000 C 0 0 6.1241 -4.1936 0.0000 O 0 0 5.5312 -1.9263 0.0000 O 0 0 6.9557 -1.4535 0.0000 C 0 0 7.1985 -0.2783 0.0000 C 0 0 -5.5610 2.8279 0.0000 C 0 0 -4.6672 3.6286 0.0000 O 0 0 -6.9870 3.2956 0.0000 O 0 0 -7.2959 4.7643 0.0000 C 0 0 -8.4361 5.1383 0.0000 C 0 0 -7.4462 0.3649 0.0000 O 0 0 1 2 1 0 1 5 1 0 1 19 2 0 2 3 2 0 2 20 1 0 3 4 1 0 3 6 1 0 4 5 1 0 6 7 1 0 7 8 1 0 7 12 2 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 14 15 1 0 14 18 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 30 2 0 18 25 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 M END > 623746 $$$$ SciTegic05042114222D 28 29 0 0 0 0 999 V2000 7.7984 -2.5020 0.0000 H 0 0 7.7988 -1.5020 0.0000 C 0 0 6.4990 -0.7516 0.0000 C 0 0 5.6331 -1.2519 0.0000 H 0 0 6.4980 0.7492 0.0000 C 0 0 5.1983 1.4996 0.0000 S 0 0 5.1973 3.0004 0.0000 S 0 0 6.2364 3.6008 0.0000 O 0 0 6.2369 2.4009 0.0000 O 0 0 3.8976 3.7508 0.0000 C 0 0 2.5985 3.0008 0.0000 C 0 0 1.2995 3.7508 0.0000 C 0 0 1.2995 5.2508 0.0000 C 0 0 0.2603 5.8508 0.0000 C 0 0 2.5985 6.0008 0.0000 C 0 0 3.8976 5.2508 0.0000 C 0 0 9.0990 -0.7525 0.0000 C 0 0 10.3987 -1.5029 0.0000 S 0 0 11.6990 -0.7533 0.0000 S 0 0 11.6993 0.4467 0.0000 O 0 0 10.6600 -0.1528 0.0000 O 0 0 12.9987 -1.5037 0.0000 C 0 0 12.9987 -3.0037 0.0000 C 0 0 14.2978 -3.7537 0.0000 C 0 0 15.5968 -3.0037 0.0000 C 0 0 16.6360 -3.6037 0.0000 C 0 0 15.5968 -1.5037 0.0000 C 0 0 14.2977 -0.7537 0.0000 C 0 0 2 1 1 0 2 3 2 0 17 2 1 0 3 4 1 0 5 3 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 2 0 7 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 2 0 19 22 1 0 22 23 2 0 22 28 1 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 M END > 624158 > 111238-61-0 $$$$ SciTegic05042114222D 16 15 0 0 0 0 999 V2000 4.3343 0.5005 0.0000 H 0 0 6.5000 1.7500 0.0000 H 0 0 6.5000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 5.1985 -1.5008 0.0000 C 0 0 3.8985 -2.2508 0.0000 S 0 0 3.8971 -3.7516 0.0000 S 0 0 2.8577 -4.3513 0.0000 O 0 0 4.9360 -4.3523 0.0000 O 0 0 3.8965 -4.9516 0.0000 O 0 5 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 S 0 0 10.3999 0.0000 0.0000 S 0 0 11.4393 0.5997 0.0000 O 0 0 10.3999 -1.2000 0.0000 O 0 0 11.4391 -0.6002 0.0000 O 0 5 4 1 1 0 3 2 1 0 3 4 2 0 3 11 1 0 5 4 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 2 0 7 10 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 M CHG 2 10 -1 16 -1 M END > 624161 $$$$ SciTegic05042114222D 18 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0031 -3.0008 0.0000 C 0 0 1.3039 -3.7494 0.0000 S 0 0 1.3070 -5.2502 0.0000 S 0 0 2.6078 -5.9988 0.0000 C 0 0 2.6109 -7.4996 0.0000 C 0 0 3.6510 -8.0981 0.0000 N 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.8990 -0.7455 0.0000 S 0 0 -5.2003 -1.4932 0.0000 S 0 0 -6.4990 -0.7410 0.0000 C 0 0 -7.8003 -1.4887 0.0000 C 0 0 -8.8387 -0.8872 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 13 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 M END > 624169 $$$$ SciTegic05042114222D 23 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 Cl 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8990 0.7455 0.0000 S 0 0 -5.2003 1.4932 0.0000 S 0 0 -6.4990 0.7409 0.0000 C 0 0 -7.8003 1.4887 0.0000 C 0 0 -9.0990 0.7364 0.0000 N 0 0 -10.4003 1.4841 0.0000 C 0 0 -11.6990 0.7318 0.0000 C 0 0 -13.0003 1.4796 0.0000 C 0 0 -14.2989 0.7273 0.0000 C 0 0 -15.6002 1.4750 0.0000 C 0 0 -16.8989 0.7228 0.0000 C 0 0 -18.2002 1.4705 0.0000 C 0 0 -19.4989 0.7182 0.0000 C 0 0 -20.8002 1.4660 0.0000 C 0 0 -21.8386 0.8645 0.0000 C 0 0 1 2 1 0 1 3 1 0 1 7 2 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 M END > 624206 $$$$ SciTegic05042114222D 14 16 0 0 0 0 999 V2000 3.0700 -1.0000 0.0000 C 0 0 2.5900 0.0400 0.0000 C 0 0 1.3500 0.4600 0.0000 C 0 0 -0.4700 -0.7700 0.0000 C 0 0 0.8000 -0.8600 0.0000 C 0 0 1.9800 -1.3400 0.0000 C 0 0 -1.9600 -0.3500 0.0000 C 0 0 0.8600 1.6100 0.0000 C 0 0 -0.4900 1.8900 0.0000 C 0 0 0.0996 0.6817 0.0000 C 0 0 -2.9693 0.2357 0.0000 Br 0 0 -1.9832 2.0999 0.0000 Br 0 0 -1.9700 0.9000 0.0000 C 0 0 -2.9138 -1.0782 0.0000 O 0 0 1 2 1 0 1 6 1 0 2 3 1 0 3 4 1 0 3 8 1 0 4 5 1 0 4 7 1 0 5 6 1 0 5 8 1 0 7 13 1 0 7 14 2 0 8 9 1 0 8 10 1 0 9 13 1 0 11 13 1 0 12 13 1 0 M END > 624358 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.6003 -1.4977 0.0000 N 0 0 0.0000 2.7000 0.0000 O 0 0 -0.0031 -3.0008 0.0000 C 0 0 1.0351 -3.6026 0.0000 O 0 0 -1.3039 -3.7494 0.0000 N 0 0 -2.6060 -7.5003 0.0000 C 0 0 -2.6060 -6.0003 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.0079 -6.0003 0.0000 C 0 0 -0.0080 -7.5003 0.0000 C 0 0 -1.3070 -8.2503 0.0000 C 0 0 -1.3070 -9.4503 0.0000 Cl 0 0 -2.3383 -1.3500 0.0000 C 0 0 3.8990 -0.7455 0.0000 N 0 0 5.2003 -1.4932 0.0000 C 0 0 7.7903 1.5136 0.0000 C 0 0 9.0919 0.7681 0.0000 C 0 0 9.0971 -0.7319 0.0000 C 0 0 7.8007 -1.4864 0.0000 C 0 0 6.4990 -0.7409 0.0000 C 0 0 6.4939 0.7591 0.0000 C 0 0 10.1291 1.3717 0.0000 Cl 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 1 0 3 8 2 0 4 5 1 0 5 6 2 0 5 19 1 0 6 9 1 0 7 20 1 0 9 10 2 0 9 11 1 0 11 14 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 20 21 2 0 21 26 1 0 22 23 2 0 22 27 1 0 23 24 1 0 23 28 1 0 24 25 2 0 25 26 1 0 26 27 2 0 M END > 624947 $$$$ SciTegic05042114222D 43 46 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.3039 3.7494 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 2.3470 5.8487 0.0000 C 0 0 -2.6003 1.4977 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4994 0.7432 0.0000 C 0 0 -7.7985 1.4932 0.0000 C 0 0 -7.7985 2.9932 0.0000 C 0 0 -6.4995 3.7432 0.0000 C 0 0 -5.2004 2.9933 0.0000 C 0 0 -2.5972 -1.5031 0.0000 O 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 -3.8934 -5.2570 0.0000 C 0 0 -5.1924 -6.0071 0.0000 C 0 0 -6.4914 -5.2571 0.0000 C 0 0 -6.4915 -3.7571 0.0000 C 0 0 -5.1925 -3.0071 0.0000 C 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6060 -6.0003 0.0000 C 0 0 -2.6060 -7.5003 0.0000 C 0 0 -1.3070 -8.2503 0.0000 C 0 0 -0.0080 -7.5003 0.0000 C 0 0 -0.0079 -6.0003 0.0000 C 0 0 2.6003 -1.4977 0.0000 C 0 0 3.8990 -0.7455 0.0000 O 0 0 5.2003 -1.4932 0.0000 Si 0 0 5.2024 -2.6932 0.0000 C 0 0 4.1622 -2.0952 0.0000 C 0 0 6.4990 -0.7409 0.0000 C 0 0 7.5395 -1.3388 0.0000 C 0 0 6.4969 0.4591 0.0000 C 0 0 7.5371 -0.1390 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 35 1 0 2 3 1 0 3 4 1 0 3 7 1 0 4 5 1 0 4 11 1 0 5 6 1 0 5 19 1 0 6 27 1 0 7 8 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 19 20 1 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 27 28 1 0 28 29 1 0 29 30 2 0 29 34 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 M END > 624953 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 -1.8032 -3.1233 0.0000 C 0 0 0.5701 -4.1788 0.0000 C 0 0 -0.0400 -5.5491 0.0000 N 0 0 -1.5318 -5.7059 0.0000 C 0 0 -2.4135 -4.4924 0.0000 C 0 0 -3.6069 -4.6175 0.0000 C 0 0 2.0630 -4.0243 0.0000 N 0 0 2.9439 -5.2394 0.0000 C 0 0 4.4368 -5.0850 0.0000 C 0 0 5.3177 -6.3001 0.0000 C 0 0 6.8106 -6.1457 0.0000 N 0 0 7.6915 -7.3608 0.0000 C 0 0 7.4257 -4.7767 0.0000 C 0 0 8.6194 -4.6545 0.0000 C 0 0 8.8851 -7.2373 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 7 9 2 0 7 10 1 0 8 9 1 0 9 13 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 20 23 1 0 21 22 1 0 M END > 625331 $$$$ SciTegic05042114222D 16 17 0 0 0 0 999 V2000 2.7343 -2.9815 0.0000 O 0 0 4.2010 -3.2956 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 4.8054 -4.6666 0.0000 C 0 0 4.0971 -5.6353 0.0000 O 0 0 6.1467 -1.8742 0.0000 O 0 0 4.1955 0.2934 0.0000 F 0 0 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 1 2 1 0 1 5 1 0 2 3 1 0 2 6 1 0 3 4 1 0 3 8 1 0 4 5 1 0 4 9 1 0 5 10 1 0 6 7 1 0 10 11 1 0 10 15 1 0 11 12 1 0 11 16 2 0 12 13 2 0 13 14 1 0 14 15 2 0 M END > 625355 $$$$ SciTegic05042114222D 20 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6048 2.4258 0.0000 C 0 0 -5.0313 1.9623 0.0000 S 0 0 -5.0313 0.4623 0.0000 C 0 0 -1.7056 4.2720 0.0000 C 0 0 -1.3507 5.7294 0.0000 C 0 0 -0.8381 3.4429 0.0000 F 0 0 -2.4353 6.7655 0.0000 C 0 0 -3.8749 6.3442 0.0000 C 0 0 -4.2299 4.8868 0.0000 C 0 0 -3.1407 3.8530 0.0000 C 0 0 -5.3811 4.5480 0.0000 Cl 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 10 19 1 0 11 12 1 0 13 14 2 0 13 19 1 0 13 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > 625483 $$$$ SciTegic05042114222D 20 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6048 2.4258 0.0000 C 0 0 -1.3507 5.7294 0.0000 C 0 0 -5.0313 1.9623 0.0000 S 0 0 -5.0313 0.4623 0.0000 C 0 0 -1.7056 4.2720 0.0000 C 0 0 -0.8381 3.4429 0.0000 F 0 0 -3.1407 3.8530 0.0000 C 0 0 -4.2299 4.8868 0.0000 C 0 0 -3.8749 6.3442 0.0000 C 0 0 -2.4353 6.7655 0.0000 C 0 0 -5.3811 4.5480 0.0000 F 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 13 1 0 9 10 1 0 10 12 1 0 10 16 1 0 11 14 2 0 11 19 1 0 12 13 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 17 20 1 0 18 19 2 0 M END > 625487 $$$$ SciTegic05042114222D 24 27 0 0 0 0 999 V2000 1.2935 -3.7495 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 5.3105 -5.7269 0.0000 C 0 0 6.1964 -4.5164 0.0000 C 0 0 5.3189 -3.2999 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 3.8963 3.7531 0.0000 O 0 0 3.8946 4.9531 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5806 -7.2040 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 24 1 0 4 5 1 0 4 7 1 0 5 6 2 0 5 9 1 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 12 1 0 12 14 1 0 12 21 2 0 13 14 2 0 13 18 1 0 13 23 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 2 0 19 20 1 0 21 22 1 0 22 23 2 0 M END > 625590 $$$$ SciTegic05042114222D 13 13 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -1.3039 -3.7494 0.0000 C 0 0 -2.3421 -3.1476 0.0000 O 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6078 -5.9988 0.0000 N 0 0 -2.6103 -7.1988 0.0000 O 0 0 1 2 1 0 2 3 2 0 2 7 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 M END > 625639 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 2.3383 -1.3500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 4.9328 3.1622 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 2.5764 7.5048 0.0000 N 0 3 3.6125 8.1102 0.0000 O 0 5 1.5342 8.0997 0.0000 O 0 0 1.2883 5.2495 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 1 2 1 0 1 6 2 0 1 8 1 0 2 3 2 0 2 9 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 9 10 1 0 10 11 2 0 10 19 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 1 0 15 17 2 0 18 19 2 0 M CHG 2 15 1 16 -1 M END > 625641 $$$$ SciTegic05042114222D 14 16 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 2.5987 -1.5004 0.0000 N 0 0 -2.5987 1.5004 0.0000 N 0 0 4.0035 -1.0885 0.0000 C 0 0 2.9400 -2.9240 0.0000 C 0 0 -2.9445 2.9229 0.0000 C 0 0 -4.0022 1.0841 0.0000 C 0 0 4.3895 -2.5380 0.0000 C 0 0 -4.3928 2.5323 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 8 1 0 5 6 2 0 7 9 1 0 7 10 1 0 8 11 1 0 8 12 1 0 9 13 1 0 10 13 1 0 11 14 1 0 12 14 1 0 M END > 625748 $$$$ SciTegic05042114222D 45 48 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 0.0000 -2.7000 0.0000 S 0 0 2.6003 -1.4977 0.0000 C 0 0 3.8990 -0.7455 0.0000 C 0 0 5.2007 -1.4909 0.0000 C 0 0 6.4972 -0.7364 0.0000 C 0 0 6.4920 0.7636 0.0000 C 0 0 5.1903 1.5091 0.0000 C 0 0 3.8939 0.7546 0.0000 C 0 0 5.2091 -2.9917 0.0000 O 0 0 6.2512 -3.5866 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -2.5964 -3.0004 0.0000 O 0 0 -3.8943 -3.7525 0.0000 C 0 0 -5.1945 -3.0046 0.0000 C 0 0 -5.1969 -1.5046 0.0000 C 0 0 -3.8990 -0.7525 0.0000 C 0 0 -3.9046 0.7483 0.0000 O 0 0 -5.2066 1.4948 0.0000 C 0 0 -5.2111 2.6947 0.0000 O 0 0 -6.2438 0.8913 0.0000 C 0 0 -6.4963 -0.7535 0.0000 O 0 0 -6.4946 -3.7544 0.0000 O 0 0 -7.7945 -3.0042 0.0000 C 0 0 -8.8340 -3.6037 0.0000 O 0 0 -7.7943 -1.8042 0.0000 C 0 0 -3.8888 -5.2533 0.0000 C 0 0 -2.5868 -5.9998 0.0000 O 0 0 -2.5813 -7.5006 0.0000 C 0 0 -1.5403 -8.0975 0.0000 O 0 0 -3.6186 -8.1041 0.0000 C 0 0 -6.4965 0.7473 0.0000 C 0 0 -7.5355 1.3478 0.0000 O 0 0 -5.4572 1.3471 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 14 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 5 6 1 0 5 23 1 0 6 13 2 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 14 15 1 0 15 16 1 0 15 20 2 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 23 24 1 0 23 28 1 0 24 25 1 0 25 26 1 0 25 38 1 0 26 27 1 0 26 34 1 0 27 28 1 0 27 33 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 33 43 1 0 34 35 1 0 35 36 2 0 35 37 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 43 44 2 0 43 45 1 0 M END > 625873 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 4.0312 -5.2378 0.0000 C 0 0 5.4984 -5.5497 0.0000 O 0 0 6.2484 -4.2507 0.0000 C 0 0 5.2447 -3.1359 0.0000 C 0 0 5.4872 -1.9607 0.0000 O 0 0 2.5951 -3.0039 0.0000 O 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 7.7388 -4.0972 0.0000 O 0 0 8.4427 -5.0690 0.0000 C 0 0 2.9122 -6.2341 0.0000 C 0 0 3.2151 -7.7040 0.0000 O 0 0 2.0941 -8.7020 0.0000 C 0 0 2.3969 -10.1719 0.0000 C 0 0 1.2780 -11.1710 0.0000 C 0 0 1.5836 -12.6395 0.0000 C 0 0 3.0082 -13.1091 0.0000 C 0 0 4.1272 -12.1101 0.0000 C 0 0 3.8216 -10.6416 0.0000 C 0 0 3.2527 -14.2839 0.0000 Cl 0 0 1 2 1 0 1 5 1 0 1 7 1 0 2 3 1 0 2 18 1 0 3 4 1 0 4 5 1 0 4 16 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 15 1 0 13 14 2 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 M END > 626120 $$$$ SciTegic05042114222D 11 11 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -0.0031 2.7742 0.0000 C 0 0 -1.0432 3.3727 0.0000 O 0 0 0.8620 3.2758 0.0000 H 0 0 -1.2135 0.3943 0.0000 O 0 0 -0.7500 -1.0323 0.0000 N 0 0 1.6281 -2.2462 0.0000 N 0 3 2.8218 -2.1229 0.0000 O 0 5 1.1385 -3.3418 0.0000 O 0 0 1 2 1 0 1 8 2 0 1 9 1 0 2 3 2 0 3 4 1 0 3 7 1 0 4 5 2 0 4 6 1 0 7 8 1 0 9 10 1 0 9 11 2 0 M CHG 2 9 1 10 -1 M END > 626433 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 0.0000 -2.7000 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.6387 0.8962 0.0000 O 0 0 2.3383 1.3500 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -3.8991 -0.7525 0.0000 C 0 0 -5.1969 -1.5046 0.0000 C 0 0 -5.1945 -3.0046 0.0000 C 0 0 -3.8943 -3.7525 0.0000 C 0 0 -2.5964 -3.0004 0.0000 C 0 0 -6.4915 -3.7597 0.0000 O 0 0 -6.4879 -4.9597 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -0.0103 7.5017 0.0000 O 0 0 -1.0513 8.0986 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 7 2 0 2 3 1 0 2 11 1 0 3 4 1 0 3 20 1 0 4 5 1 0 4 9 1 0 5 6 1 0 5 12 1 0 6 8 1 0 9 10 2 0 12 13 1 0 12 17 2 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 1 0 20 21 1 0 20 25 2 0 21 22 2 0 22 23 1 0 23 24 2 0 23 26 1 0 24 25 1 0 26 27 1 0 M END > 626734 $$$$ SciTegic05042114222D 34 39 0 0 0 0 999 V2000 2.5956 -2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.6003 1.4978 0.0000 O 0 0 3.6387 0.8963 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 N 0 0 -2.5981 1.5000 0.0000 C 0 0 -5.1984 1.4977 0.0000 C 0 0 -5.2005 2.6977 0.0000 O 0 0 -6.4971 0.7455 0.0000 C 0 0 -7.7988 1.4909 0.0000 C 0 0 -9.0952 0.7364 0.0000 C 0 0 -9.0900 -0.7636 0.0000 C 0 0 -7.7884 -1.5091 0.0000 C 0 0 -6.4920 -0.7546 0.0000 C 0 0 -3.8978 2.2504 0.0000 C 0 0 -4.9371 2.8504 0.0000 N 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 1.2990 5.2500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 0.3114 7.4665 0.0000 O 0 0 1.8032 7.6233 0.0000 C 0 0 2.4133 6.2530 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 10 1 0 4 5 1 0 4 7 1 0 5 6 1 0 7 8 2 0 7 27 1 0 8 9 1 0 8 14 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 14 23 1 0 14 25 1 0 15 16 2 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 23 24 3 0 25 26 1 0 26 27 2 0 26 31 1 0 27 28 1 0 28 29 2 0 29 30 1 0 29 34 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 M END > 627666 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2993 -3.7521 0.0000 C 0 0 1.2983 -5.2521 0.0000 C 0 0 2.5969 -6.0029 0.0000 C 0 0 3.8964 -5.2537 0.0000 C 0 0 3.8974 -3.7537 0.0000 C 0 0 2.5988 -3.0029 0.0000 C 0 0 0.0000 -3.0008 0.0000 S 0 0 -1.0394 -3.6005 0.0000 O 0 0 -1.0391 -2.4007 0.0000 O 0 0 -2.6003 -1.4978 0.0000 N 0 3 -2.6024 -2.6978 0.0000 O 0 5 -3.6387 -0.8963 0.0000 O 0 0 4.9353 -5.8544 0.0000 C 0 0 1 2 2 0 1 5 1 0 2 3 1 0 3 6 2 0 4 5 2 0 4 6 1 0 4 16 1 0 5 13 1 0 7 8 1 0 7 12 2 0 7 13 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 19 1 0 11 12 1 0 13 14 2 0 13 15 2 0 16 17 1 0 16 18 2 0 M CHG 2 16 1 17 -1 M END > 627708 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 -2.3999 1.8499 0.0000 C 0 0 -2.9500 1.2999 0.0000 C 0 0 -2.9500 0.7500 0.0000 C 0 0 -2.3999 0.1999 0.0000 C 0 0 -1.8499 0.7500 0.0000 C 0 0 -1.8499 1.2999 0.0000 C 0 0 -2.3999 2.3999 0.0000 O 0 0 -1.2999 2.3999 0.0000 C 0 0 -1.2999 1.8499 0.0000 C 0 0 -1.2999 0.1999 0.0000 C 0 0 -0.7500 0.1999 0.0000 C 0 0 -0.1999 0.7500 0.0000 C 0 0 -0.1999 1.2999 0.0000 C 0 0 0.8999 0.7500 0.0000 C 0 0 -0.1999 -0.8999 0.0000 C 0 0 1.4499 1.2999 0.0000 C 0 0 -0.7500 -1.4499 0.0000 C 0 0 0.3499 -1.4499 0.0000 C 0 0 1.4499 0.1999 0.0000 C 0 0 1.8389 1.6888 0.0000 N 0 0 1.8388 -0.1891 0.0000 N 0 0 0.7387 -1.8389 0.0000 N 0 0 -1.1389 -1.8387 0.0000 N 0 0 1 2 1 0 1 6 2 0 1 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 10 1 0 6 9 1 0 7 8 1 0 8 9 2 0 9 13 1 0 10 11 1 0 10 15 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 16 1 0 14 19 1 0 14 15 1 0 15 17 1 0 15 18 1 0 16 20 3 0 17 23 3 0 18 22 3 0 19 21 3 0 M END > 629301 > 123958-41-8 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 10.0482 4.2821 0.0000 C 0 0 9.2046 5.5224 0.0000 C 0 0 7.7087 5.4119 0.0000 C 0 0 7.0564 4.0611 0.0000 C 0 0 7.9000 2.8208 0.0000 C 0 0 9.3960 2.9314 0.0000 C 0 0 7.2495 1.4683 0.0000 C 0 0 5.7538 1.3554 0.0000 N 0 0 5.1072 0.0000 0.0000 N 0 0 5.9493 -1.2353 0.0000 C 0 0 7.4450 -1.1224 0.0000 C 0 0 8.0952 0.2294 0.0000 C 0 0 5.4289 -2.3166 0.0000 O 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 -1.2135 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 1 0 9 14 1 0 10 11 1 0 10 13 2 0 11 12 1 0 14 15 1 0 14 17 2 0 15 16 1 0 16 18 2 0 16 19 1 0 17 18 1 0 18 22 1 0 19 20 2 0 20 21 1 0 21 22 2 0 M END > 629659 $$$$ SciTegic05042114222D 28 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.6373 -0.9000 0.0000 O 0 0 -1.2990 -5.2500 0.0000 N 0 0 -2.5981 -6.0000 0.0000 C 0 0 -3.8971 -5.2500 0.0000 C 0 0 -3.8971 -3.7500 0.0000 N 0 0 -5.1968 -6.0004 0.0000 C 0 0 -6.4971 -5.2525 0.0000 C 0 0 -7.7950 -6.0046 0.0000 C 0 0 -7.7926 -7.5046 0.0000 C 0 0 -6.4923 -8.2525 0.0000 C 0 0 -5.1945 -7.5004 0.0000 C 0 0 -2.5981 -7.5008 0.0000 C 0 0 -3.8959 -8.2529 0.0000 C 0 0 -3.8935 -9.7529 0.0000 C 0 0 -2.5933 -10.5009 0.0000 C 0 0 -1.2954 -9.7488 0.0000 C 0 0 -1.2978 -8.2488 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 10 16 1 0 11 12 2 0 13 14 2 0 14 15 1 0 14 23 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 22 2 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 M END > 629713 $$$$ SciTegic05042114222D 34 37 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 -1.5000 0.0000 C 0 0 2.5981 -3.0000 0.0000 C 0 0 1.2990 -3.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 3.8994 -0.7523 0.0000 C 0 0 18.1979 -1.5271 0.0000 C 0 0 19.4992 -0.7794 0.0000 C 0 0 19.4993 0.7207 0.0000 C 0 0 20.7984 1.4706 0.0000 C 0 0 22.0974 0.7206 0.0000 C 0 0 22.0974 -0.7794 0.0000 C 0 0 20.7983 -1.5294 0.0000 C 0 0 20.7983 -3.0294 0.0000 C 0 0 22.0973 -3.7794 0.0000 C 0 0 23.3964 -3.0294 0.0000 C 0 0 23.3964 -1.5294 0.0000 C 0 0 5.1981 -1.5045 0.0000 N 0 0 6.4994 -0.7568 0.0000 C 0 0 7.7980 -1.5090 0.0000 C 0 0 3.9015 0.4477 0.0000 O 0 0 18.1959 -2.7271 0.0000 O 0 0 16.8993 -0.7749 0.0000 N 0 0 15.5980 -1.5226 0.0000 C 0 0 14.2993 -0.7703 0.0000 C 0 0 12.9980 -1.5181 0.0000 C 0 0 9.0993 -0.7613 0.0000 C 0 0 10.3980 -1.5136 0.0000 C 0 0 11.6993 -0.7658 0.0000 C 0 0 1 2 1 0 1 6 2 0 1 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 10 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 23 1 0 11 26 2 0 12 13 1 0 12 27 2 0 12 28 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 23 24 1 0 24 25 1 0 25 32 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 34 1 0 32 33 1 0 33 34 1 0 M END > 629738 $$$$ SciTegic05042114222D 27 31 0 0 0 0 999 V2000 -3.5000 0.4749 0.0000 C 0 0 -3.5000 1.0249 0.0000 C 0 0 -2.9500 1.5749 0.0000 C 0 0 -2.3999 1.0249 0.0000 C 0 0 -2.3999 0.4749 0.0000 C 0 0 -2.9500 -0.0749 0.0000 C 0 0 -2.9500 2.1250 0.0000 N 0 0 -1.8499 1.5749 0.0000 C 0 0 -1.2999 1.0249 0.0000 C 0 0 -1.2999 0.4749 0.0000 C 0 0 -1.8499 -0.0749 0.0000 N 0 0 -0.7500 1.5749 0.0000 C 0 0 -0.1999 1.0249 0.0000 N 0 0 -0.1999 0.4749 0.0000 C 0 0 0.3499 1.5749 0.0000 C 0 0 0.3499 2.1250 0.0000 O 0 0 0.8999 1.0249 0.0000 C 0 0 0.8999 0.4749 0.0000 C 0 0 0.3499 -0.0749 0.0000 C 0 0 1.4499 1.5749 0.0000 C 0 0 2.0000 1.0249 0.0000 O 0 0 2.0000 0.4749 0.0000 C 0 0 1.4499 -0.0749 0.0000 C 0 0 2.5499 -0.0749 0.0000 O 0 0 0.8999 -0.6250 0.0000 C 0 0 2.0000 -0.6250 0.0000 O 0 0 0.8999 -1.1749 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 3 7 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 11 1 0 8 9 2 0 9 10 1 0 9 12 1 0 10 11 2 0 10 14 1 0 12 13 1 0 13 14 1 0 13 15 1 0 14 19 2 0 15 16 2 0 15 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 18 23 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 2 0 23 25 1 0 23 26 1 0 25 27 1 0 M END > 629971 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 N 0 0 -3.8971 0.7500 0.0000 N 0 0 -2.5981 1.5000 0.0000 N 0 0 -2.5981 -2.7000 0.0000 O 0 0 -5.1984 -1.4978 0.0000 O 0 0 -6.4971 -0.7455 0.0000 C 0 0 -6.4950 0.4545 0.0000 O 0 0 -7.7984 -1.4932 0.0000 C 0 0 -9.0971 -0.7410 0.0000 C 0 0 -12.9965 -1.4887 0.0000 C 0 0 -11.6975 -0.7388 0.0000 C 0 0 -10.3984 -1.4887 0.0000 C 0 0 -10.3985 -2.9888 0.0000 C 0 0 -11.6975 -3.7388 0.0000 C 0 0 -12.9965 -2.9887 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 4 10 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 11 2 0 8 9 1 0 8 12 1 0 9 10 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 19 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 M END > 630374 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 4.9531 -1.9978 0.0000 N 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 N 0 0 2.5987 -1.5004 0.0000 N 0 0 3.9511 -0.8815 0.0000 C 0 0 4.2567 0.5852 0.0000 S 0 0 5.6819 1.0557 0.0000 C 0 0 6.1210 2.4766 0.0000 N 0 0 7.6210 2.4805 0.0000 C 0 0 8.0882 1.0551 0.0000 N 0 0 6.8770 0.1703 0.0000 C 0 0 6.8725 -1.3279 0.0000 N 0 3 5.8313 -1.9244 0.0000 O 0 5 7.9095 -1.9317 0.0000 O 0 0 5.4074 3.4414 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 2 1 0 1 5 2 0 2 3 2 0 3 4 1 0 4 5 1 0 4 16 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 11 2 0 8 9 1 0 8 15 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 M CHG 2 12 1 13 -1 M END > 631152 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 C 0 0 6.4437 -1.8466 0.0000 S 0 0 7.3222 -3.0635 0.0000 C 0 0 8.8094 -3.0534 0.0000 N 0 0 9.2656 -4.4823 0.0000 C 0 0 8.0477 -5.3578 0.0000 N 0 0 6.8386 -4.4700 0.0000 C 0 0 5.4089 -4.9177 0.0000 N 0 3 4.5260 -4.1050 0.0000 O 0 5 5.1461 -6.0886 0.0000 O 0 0 9.5139 -2.0819 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 4.1955 0.2934 0.0000 C 0 0 1 2 1 0 1 5 2 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 1 0 4 22 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 11 2 0 8 9 1 0 8 15 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 16 17 1 0 16 21 2 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M CHG 2 12 1 13 -1 M END > 631160 $$$$ SciTegic05042114222D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 -3.7124 4.0029 0.0000 N 0 0 -3.1023 5.3733 0.0000 C 0 0 -1.6105 5.2165 0.0000 S 0 0 -3.8487 6.6723 0.0000 N 0 0 -3.0964 7.9710 0.0000 C 0 0 -3.8419 9.2727 0.0000 C 0 0 -3.0874 10.5691 0.0000 C 0 0 -1.5874 10.5639 0.0000 C 0 0 -0.8419 9.2623 0.0000 C 0 0 -1.5964 7.9659 0.0000 C 0 0 -3.6837 11.6105 0.0000 Cl 0 0 -0.9838 11.6011 0.0000 Cl 0 0 1 2 1 0 1 3 2 0 2 6 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 15 1 0 10 11 1 0 10 13 1 0 11 12 2 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 17 22 2 0 18 19 2 0 19 20 1 0 19 23 1 0 20 21 2 0 20 24 1 0 21 22 1 0 M END > 631521 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 O 0 0 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 2.7000 0.0000 O 0 0 -5.3229 1.2135 0.0000 S 0 0 -6.2045 0.0000 0.0000 C 0 0 -5.3229 -1.2135 0.0000 N 0 0 -7.7028 -0.0031 0.0000 N 0 0 -8.4513 -1.3040 0.0000 C 0 0 -9.9513 -1.3093 0.0000 C 0 0 -10.6968 -2.6109 0.0000 C 0 0 -9.9423 -3.9074 0.0000 C 0 0 -10.5387 -4.9487 0.0000 Cl 0 0 -8.4423 -3.9021 0.0000 C 0 0 -7.6968 -2.6005 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 11 1 0 5 6 2 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 15 1 0 10 11 1 0 10 13 1 0 11 12 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 17 23 2 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 M END > 631529 $$$$ SciTegic05042114222D 24 27 0 0 0 0 999 V2000 -2.1250 0.4749 0.0000 N 0 0 -2.6749 -0.0749 0.0000 C 0 0 -2.6749 -0.6250 0.0000 C 0 0 -2.1250 -1.1749 0.0000 C 0 0 -1.5749 -0.6250 0.0000 C 0 0 -1.5749 -0.0749 0.0000 C 0 0 -1.0249 0.4749 0.0000 C 0 0 -0.4749 -0.0749 0.0000 C 0 0 -0.4749 -0.6250 0.0000 C 0 0 -1.0249 -1.1749 0.0000 C 0 0 0.0749 0.4749 0.0000 C 0 0 0.0749 1.0249 0.0000 C 0 0 -0.4749 1.5749 0.0000 C 0 0 -1.0249 1.0249 0.0000 O 0 0 -0.4749 2.1250 0.0000 N 0 0 0.6250 1.5749 0.0000 C 0 0 0.6250 1.0249 0.0000 H 0 0 0.6250 -0.0749 0.0000 C 0 0 1.1749 0.4749 0.0000 C 0 0 1.7249 -0.0749 0.0000 C 0 0 1.7249 -0.6250 0.0000 C 0 0 1.1749 -1.1749 0.0000 C 0 0 0.6250 -0.6250 0.0000 C 0 0 1.0139 1.9637 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 7 14 1 0 8 9 1 0 8 11 1 0 9 10 2 0 11 12 1 0 11 17 1 0 11 18 1 0 12 13 2 0 12 16 1 0 13 14 1 0 13 15 1 0 16 24 3 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 M END > 631583 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 S 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 -2.5550 -4.4193 0.0000 C 0 0 -4.0559 -4.4171 0.0000 C 0 0 -4.8105 -5.7135 0.0000 C 0 0 -6.3105 -5.7083 0.0000 C 0 0 -7.0559 -4.4067 0.0000 C 0 0 -6.3014 -3.1102 0.0000 C 0 0 -4.8014 -3.1154 0.0000 C 0 0 -7.0446 -1.8063 0.0000 O 0 0 -6.4396 -0.7701 0.0000 C 0 0 -8.5568 -4.4045 0.0000 O 0 0 -9.1589 -5.4425 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 9 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 11 16 2 0 12 13 2 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 15 17 1 0 17 18 1 0 19 20 1 0 M END > 632233 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3092 5.2494 0.0000 C 0 0 -2.6108 5.9949 0.0000 C 0 0 -3.9073 5.2404 0.0000 C 0 0 -3.9021 3.7404 0.0000 C 0 0 -2.6005 2.9949 0.0000 C 0 0 -6.5072 5.2269 0.0000 C 0 0 -7.8115 5.9678 0.0000 C 0 0 -9.1053 5.2088 0.0000 C 0 0 -9.0949 3.7089 0.0000 C 0 0 -7.7907 2.9679 0.0000 C 0 0 -6.4969 3.7269 0.0000 C 0 0 -0.0031 3.0008 0.0000 N 0 0 -5.2112 5.9836 0.0000 N 0 0 2.3238 -0.1256 0.0000 C 0 0 1.2709 -1.9497 0.0000 C 0 0 -2.3238 -0.1256 0.0000 C 0 0 -1.2708 -1.9497 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 1 2 1 0 1 20 1 0 1 21 1 0 1 24 1 0 2 3 1 0 3 4 1 0 3 18 1 0 4 5 1 0 5 22 1 0 5 23 1 0 5 24 1 0 6 7 1 0 6 11 2 0 6 18 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 12 13 1 0 12 17 2 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > 632536 > 24459-88-9 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 -5.1903 -1.5091 0.0000 N 0 0 -3.8939 -0.7546 0.0000 C 0 0 -7.8010 1.4796 0.0000 C 0 0 -5.2049 2.6909 0.0000 O 0 0 -9.0971 0.7229 0.0000 C 0 0 -10.4014 1.4638 0.0000 C 0 0 -11.6952 0.7048 0.0000 C 0 0 -11.6848 -0.7951 0.0000 C 0 0 -10.3806 -1.5361 0.0000 C 0 0 -9.0868 -0.7772 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -12.7199 -1.4023 0.0000 C 0 0 1 2 1 0 1 6 2 0 1 22 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 8 9 1 0 8 13 1 0 9 10 1 0 9 15 2 0 10 11 1 0 10 14 2 0 11 12 1 0 12 13 1 0 14 16 1 0 16 17 1 0 16 21 2 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 M END > 632839 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3092 -5.2494 0.0000 C 0 0 -2.6108 -5.9949 0.0000 C 0 0 -3.9072 -5.2404 0.0000 C 0 0 -3.9020 -3.7404 0.0000 C 0 0 -2.6004 -2.9949 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -2.6024 2.6977 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 -4.9395 1.3433 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 7 1 0 3 4 1 0 3 9 2 0 4 5 1 0 5 6 1 0 5 22 1 0 6 7 1 0 7 8 2 0 8 16 1 0 9 10 1 0 10 11 1 0 10 15 2 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 22 23 2 0 22 24 1 0 24 25 2 0 M END > 632841 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 -2.1250 -0.3499 0.0000 C 0 0 -2.1250 0.1999 0.0000 C 0 0 -1.5749 0.7500 0.0000 C 0 0 -1.0249 0.1999 0.0000 C 0 0 -1.0249 -0.3499 0.0000 C 0 0 -1.5749 -0.8999 0.0000 C 0 0 -0.4749 0.7500 0.0000 S 0 0 0.0749 0.1999 0.0000 C 0 0 0.0749 -0.3499 0.0000 C 0 0 0.6250 -0.8999 0.0000 C 0 0 1.1749 -0.3499 0.0000 C 0 0 1.1749 0.1999 0.0000 C 0 0 0.6250 0.7500 0.0000 C 0 0 -1.5749 1.2999 0.0000 N 0 3 -1.0249 1.8499 0.0000 O 0 5 -2.1250 1.8499 0.0000 O 0 0 -1.0249 1.2999 0.0000 O 0 0 0.0749 1.2999 0.0000 O 0 0 0.6250 1.2999 0.0000 N 0 3 0.0749 1.8499 0.0000 O 0 5 1.1749 1.8499 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 3 14 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 7 17 2 0 7 18 2 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 19 1 0 14 15 1 0 14 16 2 0 19 20 1 0 19 21 2 0 M CHG 4 14 1 15 -1 19 1 20 -1 M END > 633001 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 N 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 S 0 0 -0.7500 -1.0323 0.0000 C 0 0 2.4258 1.2743 0.0000 C 0 0 1.9623 2.7009 0.0000 C 0 0 0.4623 2.7009 0.0000 N 0 0 2.6676 3.6717 0.0000 Cl 0 0 3.8515 0.8136 0.0000 C 0 0 4.1024 -0.3599 0.0000 O 0 0 7.5083 2.3627 0.0000 N 0 0 6.3939 1.3573 0.0000 C 0 0 6.6449 0.1839 0.0000 O 0 0 4.9658 1.8189 0.0000 N 0 0 11.4781 2.4401 0.0000 C 0 0 10.0517 2.9043 0.0000 C 0 0 11.7893 0.9727 0.0000 C 0 0 10.6741 -0.0305 0.0000 C 0 0 9.2477 0.4337 0.0000 C 0 0 12.9304 0.6014 0.0000 Cl 0 0 8.9364 1.9011 0.0000 C 0 0 1 2 1 0 1 5 2 0 2 3 1 0 2 6 1 0 3 4 1 0 3 8 2 0 4 5 1 0 6 7 2 0 6 10 1 0 7 8 1 0 7 9 1 0 10 11 2 0 10 15 1 0 12 22 1 0 12 13 1 0 13 14 2 0 13 15 1 0 16 17 2 0 16 18 1 0 17 22 1 0 18 19 2 0 18 21 1 0 19 20 1 0 20 22 2 0 M END > 633209 $$$$ SciTegic05042114222D 21 24 0 0 0 0 999 V2000 6.4523 -1.9997 0.0000 C 0 0 7.2003 -3.3000 0.0000 C 0 0 6.4482 -4.5978 0.0000 C 0 0 4.9482 -4.5954 0.0000 C 0 0 4.2003 -3.2952 0.0000 C 0 0 4.9523 -1.9974 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 4.1956 0.2933 0.0000 O 0 0 2.7343 -2.9815 0.0000 C 0 0 1.8366 -3.7778 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 10 1 0 6 7 1 0 7 8 2 0 7 9 1 0 8 10 1 0 8 12 1 0 10 11 2 0 12 13 2 0 12 14 1 0 13 17 1 0 14 15 2 0 15 16 1 0 15 18 1 0 16 17 2 0 16 21 1 0 18 19 2 0 19 20 1 0 20 21 2 0 M END > 634224 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 -0.1999 1.5749 0.0000 C 0 0 -0.1999 2.1250 0.0000 O 0 0 -0.7500 1.0249 0.0000 C 0 0 -1.2999 1.5749 0.0000 C 0 0 -1.2999 2.1250 0.0000 O 0 0 -2.9500 1.0249 0.0000 C 0 0 -2.3999 1.5749 0.0000 C 0 0 -2.9500 2.1250 0.0000 C 0 0 -3.5000 2.1250 0.0000 C 0 0 -4.0499 1.5749 0.0000 C 0 0 -3.5000 1.0249 0.0000 C 0 0 0.3499 1.0249 0.0000 C 0 0 0.8999 1.0249 0.0000 C 0 0 1.4499 1.0249 0.0000 C 0 0 2.0000 0.4749 0.0000 C 0 0 2.5499 0.4749 0.0000 C 0 0 3.0999 1.0249 0.0000 C 0 0 2.5499 1.5749 0.0000 C 0 0 2.0000 1.5749 0.0000 C 0 0 0.3499 -0.0749 0.0000 C 0 0 0.8999 0.4749 0.0000 C 0 0 1.4499 -0.0749 0.0000 C 0 0 1.4499 -0.6250 0.0000 C 0 0 0.8999 -1.1749 0.0000 C 0 0 0.3499 -0.6250 0.0000 C 0 0 0.8999 1.5749 0.0000 O 0 0 1 2 2 0 1 3 1 0 1 12 1 0 3 4 1 0 4 5 2 0 4 7 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 12 13 1 0 13 14 1 0 13 26 1 0 13 21 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > 634232 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 S 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 -1.2959 -5.2508 0.0000 C 0 0 0.0049 -5.9994 0.0000 C 0 0 0.0080 -7.5002 0.0000 N 0 0 1.3088 -8.2488 0.0000 C 0 0 2.6053 -7.4943 0.0000 C 0 0 3.9070 -8.2398 0.0000 C 0 0 3.9121 -9.7398 0.0000 C 0 0 2.6157 -10.4943 0.0000 C 0 0 1.3141 -9.7488 0.0000 C 0 0 0.2769 -10.3524 0.0000 C 0 0 1.0431 -5.3976 0.0000 O 0 0 -3.6373 -3.6000 0.0000 O 0 0 2.6199 -11.6943 0.0000 Cl 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 11 1 0 9 10 1 0 9 22 2 0 11 12 1 0 12 13 1 0 12 21 2 0 13 14 1 0 14 15 1 0 14 19 2 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 1 0 M END > 634396 $$$$ SciTegic05042114222D 16 16 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 -1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 -4.9336 -3.1588 0.0000 O 0 0 -3.8912 -5.2578 0.0000 O 0 0 -5.1894 -6.0109 0.0000 C 0 0 -5.1877 -7.2109 0.0000 C 0 0 1 2 1 0 1 9 2 0 2 3 1 0 2 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 M END > 634471 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 O 0 0 -2.6003 -1.4978 0.0000 C 0 0 -2.6024 -2.6978 0.0000 O 0 0 -3.8990 -0.7455 0.0000 O 0 0 -4.9395 -1.3434 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 0 2.5951 3.0039 0.0000 N 0 0 3.8933 3.7570 0.0000 C 0 0 3.8933 5.2571 0.0000 C 0 0 5.1924 6.0071 0.0000 C 0 0 6.4914 5.2571 0.0000 C 0 0 7.7927 6.0049 0.0000 O 0 0 8.8311 5.4035 0.0000 C 0 0 6.4915 3.7571 0.0000 C 0 0 5.1925 3.0071 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 6 1 0 3 4 1 0 3 18 1 0 4 7 1 0 4 12 1 0 5 6 2 0 5 7 1 0 5 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 12 13 1 0 12 17 2 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 21 28 2 0 22 23 2 0 23 24 1 0 24 25 1 0 24 27 2 0 25 26 1 0 27 28 1 0 M END > 634473 $$$$ SciTegic05042114222D 29 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.6373 -0.9000 0.0000 O 0 0 -1.2990 -4.9500 0.0000 Cl 0 0 -3.8994 -3.7478 0.0000 C 0 0 -3.9020 -5.2486 0.0000 C 0 0 -3.9041 -6.4486 0.0000 N 0 0 -5.1981 -2.9955 0.0000 C 0 0 -5.1960 -1.7955 0.0000 O 0 0 -6.4993 -3.7432 0.0000 N 0 0 -7.7980 -2.9910 0.0000 C 0 0 -9.0894 -0.7364 0.0000 C 0 0 -10.3910 -1.4819 0.0000 C 0 0 -10.3962 -2.9819 0.0000 C 0 0 -9.0997 -3.7364 0.0000 C 0 0 -7.7929 -1.4909 0.0000 C 0 0 -9.1081 -5.2372 0.0000 C 0 0 -10.1502 -5.8321 0.0000 C 0 0 -6.4921 -0.7423 0.0000 C 0 0 -6.4897 0.4577 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 10 14 1 0 11 12 2 0 14 15 1 0 14 17 1 0 15 16 3 0 17 18 2 0 17 19 1 0 19 20 1 0 20 24 2 0 20 25 1 0 21 22 1 0 21 25 2 0 22 23 2 0 23 24 1 0 24 26 1 0 25 28 1 0 26 27 1 0 28 29 1 0 M END > 634503 $$$$ SciTegic05042114222D 26 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 2.3383 1.3500 0.0000 C 0 0 -2.3383 1.3500 0.0000 C 0 0 -0.3114 -2.9665 0.0000 N 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 -2.9160 -4.1261 0.0000 S 0 0 -4.2150 -3.3761 0.0000 C 0 0 -3.9032 -1.9089 0.0000 C 0 0 -5.0167 -0.9055 0.0000 C 0 0 -4.7670 0.2682 0.0000 O 0 0 -6.4433 -1.3690 0.0000 C 0 0 -6.7551 -2.8362 0.0000 C 0 0 -5.6404 -3.8399 0.0000 C 0 0 -5.8896 -5.0138 0.0000 O 0 0 -8.1817 -3.2998 0.0000 C 0 0 -9.2964 -2.2961 0.0000 C 0 0 -8.9846 -0.8289 0.0000 C 0 0 -7.5580 -0.3653 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 7 2 0 2 3 1 0 2 9 1 0 3 4 1 0 3 8 2 0 4 5 1 0 4 10 1 0 5 6 2 0 5 13 1 0 6 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 13 16 1 0 14 15 1 0 15 16 2 0 15 21 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 19 26 1 0 20 21 1 0 20 23 1 0 21 22 2 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > 634568 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2959 -5.2508 0.0000 C 0 0 -2.3341 -5.8527 0.0000 O 0 0 0.0049 -5.9994 0.0000 C 0 0 0.0080 -7.5002 0.0000 C 0 0 1.2215 -8.3600 0.0000 O 0 0 0.7580 -9.7866 0.0000 C 0 0 1.4634 -10.7574 0.0000 O 0 0 -0.7420 -9.7866 0.0000 C 0 0 -1.2055 -8.3601 0.0000 C 0 0 1 2 2 0 1 10 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 10 2 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 M END > 634650 $$$$ SciTegic05042114222D 24 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 5 2.5972 1.5031 0.0000 N 0 3 2.5955 2.7031 0.0000 O 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.2688 -5.8520 0.0000 O 0 0 -2.6078 -5.9988 0.0000 N 0 0 -2.6109 -7.4996 0.0000 C 0 0 -1.3118 -8.2497 0.0000 C 0 0 -1.3119 -9.7497 0.0000 C 0 0 -2.6109 -10.4997 0.0000 C 0 0 -3.9100 -9.7497 0.0000 C 0 0 -3.9099 -8.2497 0.0000 C 0 0 -4.9492 -7.6497 0.0000 C 0 0 -2.6008 -2.9941 0.0000 C 0 0 -2.5970 -1.7941 0.0000 O 0 0 -3.6421 -3.5904 0.0000 C 0 0 1 2 1 0 1 5 2 0 2 6 2 0 2 8 1 0 3 4 2 0 3 6 1 0 4 5 1 0 5 10 1 0 7 8 1 0 8 9 2 0 10 11 2 0 11 12 1 0 11 22 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 20 2 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 22 23 2 0 22 24 1 0 M CHG 2 7 -1 8 1 M END > 634658 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 S 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 S 0 0 -1.3515 1.0777 0.0000 O 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.7500 -1.5574 0.0000 O 0 0 2.5244 2.0171 0.0000 C 0 0 2.2987 3.5009 0.0000 C 0 0 3.4681 4.4402 0.0000 C 0 0 3.2395 5.9227 0.0000 C 0 0 1.8413 6.4659 0.0000 C 0 0 0.6718 5.5266 0.0000 C 0 0 0.9004 4.0442 0.0000 C 0 0 1.0568 2.2970 0.0000 O 0 0 -1.0568 2.2971 0.0000 O 0 0 2.4746 0.5192 0.0000 O 0 0 2.0043 -1.5414 0.0000 O 0 0 1 2 1 0 1 7 1 0 1 17 2 0 1 18 2 0 2 3 1 0 2 8 1 0 3 4 1 0 3 15 2 0 3 16 2 0 4 5 1 0 5 6 1 0 6 7 1 0 8 9 1 0 9 10 1 0 9 14 2 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 M END > 634863 $$$$ SciTegic05042114222D 32 37 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -1.3515 1.0777 0.0000 N 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.7500 -1.5574 0.0000 S 0 0 -1.2990 -2.9545 0.0000 C 0 0 -2.7822 -3.1781 0.0000 C 0 0 -3.7175 -2.0053 0.0000 C 0 0 -3.1695 -0.6090 0.0000 C 0 0 1.2707 -2.6386 0.0000 O 0 0 3.1484 -0.7186 0.0000 C 0 0 4.1145 0.4340 0.0000 C 0 0 5.5920 0.1754 0.0000 C 0 0 6.1069 -1.2335 0.0000 C 0 0 5.1442 -2.3838 0.0000 C 0 0 3.6667 -2.1252 0.0000 C 0 0 3.5996 1.8428 0.0000 C 0 0 4.5623 2.9931 0.0000 C 0 0 6.0399 2.7346 0.0000 C 0 0 6.5547 1.3257 0.0000 C 0 0 0.0000 3.2293 0.0000 C 0 0 -1.2561 4.0476 0.0000 C 0 0 -1.1794 5.5457 0.0000 C 0 0 0.1563 6.2283 0.0000 C 0 0 1.4153 5.4128 0.0000 C 0 0 1.3386 3.9148 0.0000 C 0 0 2.5976 3.0993 0.0000 C 0 0 3.9333 3.7819 0.0000 C 0 0 4.0100 5.2800 0.0000 C 0 0 2.7510 6.0954 0.0000 C 0 0 1 2 1 0 1 7 1 0 1 13 1 0 2 3 1 0 3 4 2 0 3 23 1 0 4 5 1 0 5 6 2 0 5 11 1 0 6 8 1 0 6 7 1 0 7 12 2 0 8 9 2 0 9 10 1 0 10 11 2 0 13 14 1 0 13 18 2 0 14 15 2 0 14 19 1 0 15 16 1 0 15 22 1 0 16 17 2 0 17 18 1 0 19 20 2 0 20 21 1 0 21 22 2 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 32 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 M END > 634926 $$$$ SciTegic05042114222D 35 38 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 N 0 0 -3.8974 -0.7525 0.0000 C 0 0 -2.8583 -1.3527 0.0000 O 0 0 -5.1971 -1.5031 0.0000 N 0 0 -5.1979 -3.0039 0.0000 C 0 0 -6.4975 -3.7544 0.0000 C 0 0 -6.5005 -5.2545 0.0000 C 0 0 -7.8010 -6.0020 0.0000 C 0 0 -9.0986 -5.2495 0.0000 C 0 0 -9.0957 -3.7495 0.0000 C 0 0 -7.7952 -3.0020 0.0000 C 0 0 -1.3042 3.7556 0.0000 C 0 0 -0.2630 3.1592 0.0000 O 0 0 -1.3088 5.2565 0.0000 N 0 0 -0.0119 6.0117 0.0000 C 0 0 -0.0165 7.5125 0.0000 C 0 0 1.2787 8.2692 0.0000 C 0 0 1.2711 9.7692 0.0000 C 0 0 -0.0318 10.5125 0.0000 C 0 0 -1.3270 9.7559 0.0000 C 0 0 -1.3193 8.2559 0.0000 C 0 0 -6.2352 0.8946 0.0000 C 0 0 -3.9034 4.9484 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 35 1 0 4 5 1 0 4 7 1 0 5 6 2 0 7 8 1 0 7 11 1 0 8 9 2 0 8 23 1 0 9 12 1 0 9 34 1 0 10 11 2 0 10 12 1 0 10 33 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 22 2 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 32 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 M END > 634928 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 S 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 -1.3021 -5.2508 0.0000 C 0 0 -0.2639 -5.8526 0.0000 C 0 0 -2.6029 -5.9994 0.0000 N 0 0 -2.6060 -7.5002 0.0000 N 0 0 -3.9068 -8.2488 0.0000 C 0 0 -4.9450 -7.6470 0.0000 O 0 0 -3.9099 -9.7496 0.0000 C 0 0 -5.2090 -10.4997 0.0000 C 0 0 -5.2090 -11.9997 0.0000 C 0 0 -3.9100 -12.7497 0.0000 C 0 0 -2.6109 -11.9997 0.0000 C 0 0 -2.6109 -10.4997 0.0000 C 0 0 -6.2482 -9.8997 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 22 2 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > 635121 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 2.7000 0.0000 S 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 -1.2978 -3.7529 0.0000 C 0 0 -1.2955 -5.2529 0.0000 C 0 0 0.0048 -6.0009 0.0000 C 0 0 0.0067 -7.2009 0.0000 Cl 0 0 1.3026 -5.2488 0.0000 C 0 0 1.3002 -3.7488 0.0000 C 0 0 -2.6003 -1.4978 0.0000 C 0 0 -2.6024 -2.6978 0.0000 O 0 0 -3.8990 -0.7455 0.0000 O 0 0 -4.9395 -1.3434 0.0000 C 0 0 1 2 2 0 1 4 1 0 1 8 1 0 3 4 1 0 3 5 2 0 3 6 1 0 6 7 1 0 7 8 2 0 7 16 1 0 8 9 1 0 9 10 1 0 9 15 2 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 16 17 2 0 16 18 1 0 18 19 1 0 M END > 635140 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 -2.2572 1.2941 0.0000 C 0 0 -0.7524 1.2941 0.0000 C 0 0 -0.1540 2.3343 0.0000 Cl 0 0 0.0000 0.0000 0.0000 C 0 0 -0.7524 -1.2941 0.0000 C 0 0 -0.1540 -2.3343 0.0000 Cl 0 0 -2.2572 -1.2941 0.0000 C 0 0 -3.2504 -2.4077 0.0000 N 0 0 -4.6348 -1.8058 0.0000 C 0 0 -4.4692 -0.3010 0.0000 C 0 0 -3.0096 0.0000 0.0000 C 0 0 -4.9357 1.1135 0.0000 O 0 0 -5.9439 0.0000 0.0000 C 0 0 -7.3607 -0.4612 0.0000 C 0 0 -7.6091 -1.6352 0.0000 O 0 0 -8.4772 0.5417 0.0000 C 0 0 -9.9042 0.0794 0.0000 C 0 0 -11.0181 1.0840 0.0000 C 0 0 -10.7050 2.5510 0.0000 C 0 0 -9.2781 3.0134 0.0000 C 0 0 -8.1642 2.0087 0.0000 C 0 0 -5.6728 -2.4078 0.0000 O 0 0 1 2 2 0 1 11 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 11 2 0 8 9 1 0 9 10 1 0 9 22 2 0 10 11 1 0 10 12 1 0 10 13 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 16 21 2 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > 635306 $$$$ SciTegic05042114222D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 C 0 0 -4.1845 -1.4996 0.0000 C 0 0 -4.8065 0.0000 0.0000 O 0 0 0.0000 2.7000 0.0000 Cl 0 0 2.3383 -1.3500 0.0000 Cl 0 0 -5.1893 -0.3848 0.0000 C 0 0 -4.8187 0.7565 0.0000 O 0 0 -6.6574 -0.6966 0.0000 C 0 0 -7.6633 0.4161 0.0000 C 0 0 -9.1299 0.1015 0.0000 C 0 0 -9.5907 -1.3260 0.0000 C 0 0 -8.5849 -2.4388 0.0000 C 0 0 -7.1183 -2.1241 0.0000 C 0 0 -4.6480 -2.9270 0.0000 C 0 0 -3.6456 -4.0430 0.0000 C 0 0 -4.1109 -5.4691 0.0000 C 0 0 -5.5784 -5.7792 0.0000 C 0 0 -6.5808 -4.6633 0.0000 C 0 0 -6.1156 -3.2373 0.0000 C 0 0 -1.9077 -2.0924 0.0000 O 0 0 -2.7248 1.2135 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 12 1 0 2 3 1 0 3 4 2 0 3 11 1 0 4 5 1 0 4 28 1 0 5 6 2 0 5 8 1 0 7 8 1 0 7 10 2 0 7 28 1 0 8 9 1 0 8 27 1 0 9 13 1 0 9 21 1 0 13 14 2 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > 635312 $$$$ SciTegic05042114222D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 -1.8032 -3.1233 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 0.8582 -2.6983 0.0000 O 0 0 -0.7935 -4.3737 0.0000 C 0 0 -2.2614 -4.6865 0.0000 C 0 0 -3.0645 -3.7948 0.0000 O 0 0 -2.4032 -4.1625 0.0000 O 0 0 0.0000 2.7000 0.0000 Cl 0 0 0.2109 -5.4888 0.0000 C 0 0 1.6785 -5.1787 0.0000 C 0 0 2.6809 -6.2946 0.0000 C 0 0 2.2157 -7.7207 0.0000 C 0 0 0.7481 -8.0308 0.0000 C 0 0 -0.2543 -6.9149 0.0000 C 0 0 -2.7254 -6.1138 0.0000 C 0 0 -4.1920 -6.4285 0.0000 C 0 0 -4.6528 -7.8560 0.0000 C 0 0 -3.6470 -8.9688 0.0000 C 0 0 -2.1804 -8.6541 0.0000 C 0 0 -1.7196 -7.2267 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 16 1 0 4 5 1 0 4 7 1 0 5 6 2 0 5 8 1 0 6 10 1 0 8 9 1 0 9 10 1 0 9 15 2 0 10 11 1 0 10 12 1 0 12 13 1 0 12 17 1 0 13 14 2 0 13 23 1 0 17 18 1 0 17 22 2 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 1 0 23 28 2 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > 635321 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 C 0 0 -4.1845 -1.4996 0.0000 C 0 0 -4.8065 0.0000 0.0000 O 0 0 0.0000 2.7000 0.0000 Cl 0 0 2.3383 -1.3500 0.0000 Cl 0 0 -5.1893 -0.3848 0.0000 C 0 0 -4.8187 0.7565 0.0000 O 0 0 -6.6574 -0.6966 0.0000 C 0 0 -7.6633 0.4161 0.0000 C 0 0 -9.1299 0.1015 0.0000 C 0 0 -9.5907 -1.3260 0.0000 C 0 0 -8.5849 -2.4388 0.0000 C 0 0 -7.1183 -2.1241 0.0000 C 0 0 -1.9077 -2.0924 0.0000 O 0 0 -2.7248 1.2135 0.0000 N 0 0 -11.0575 -1.6438 0.0000 N 0 3 -11.8637 -0.7550 0.0000 O 0 5 -11.4245 -2.7863 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 12 1 0 2 3 1 0 3 4 2 0 3 11 1 0 4 5 1 0 4 22 1 0 5 6 2 0 5 8 1 0 7 8 1 0 7 10 2 0 7 22 1 0 8 9 1 0 8 21 1 0 9 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 2 0 23 24 1 0 23 25 2 0 M CHG 2 23 1 24 -1 M END > 635326 $$$$ SciTegic05042114222D 26 29 0 0 0 0 999 V2000 5.6672 -5.8286 0.0000 C 0 0 7.1338 -6.1435 0.0000 C 0 0 8.1398 -5.0308 0.0000 C 0 0 7.6792 -3.6033 0.0000 C 0 0 6.2126 -3.2884 0.0000 C 0 0 5.2066 -4.4011 0.0000 C 0 0 7.5023 -7.2855 0.0000 Cl 0 0 8.4840 -2.7132 0.0000 Cl 0 0 5.4659 -1.9884 0.0000 N 0 0 3.9981 -2.2973 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8912 -4.9570 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.0939 -1.5083 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 4 5 1 0 4 8 1 0 5 6 2 0 5 9 1 0 6 11 1 0 9 10 1 0 10 11 1 0 10 21 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 16 20 1 0 17 18 1 0 17 23 1 0 18 19 2 0 18 26 1 0 19 22 1 0 20 22 2 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > 635328 $$$$ SciTegic05042114222D 25 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -3.8983 -0.7550 0.0000 C 0 0 -4.9386 -0.1568 0.0000 N 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8933 -3.7570 0.0000 N 0 0 -3.8912 -5.2578 0.0000 N 0 0 -5.1894 -6.0109 0.0000 C 0 0 -1.2956 -3.7547 0.0000 C 0 0 -0.2564 -3.1547 0.0000 O 0 0 -0.2561 -5.8559 0.0000 C 0 0 -1.2951 -5.2556 0.0000 O 0 0 -6.2296 -5.4127 0.0000 O 0 0 -5.1872 -7.5117 0.0000 C 0 0 -3.8856 -8.2573 0.0000 C 0 0 -3.8804 -9.7573 0.0000 C 0 0 -5.1768 -10.5118 0.0000 C 0 0 -6.4784 -9.7663 0.0000 C 0 0 -6.4836 -8.2663 0.0000 C 0 0 -7.5250 -7.6700 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 10 1 0 8 9 3 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 19 1 0 14 15 2 0 14 17 1 0 16 17 1 0 19 20 1 0 19 24 2 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 M END > 635337 $$$$ SciTegic05042114222D 26 29 0 0 0 0 999 V2000 4.7653 2.4724 0.0000 Cl 0 0 3.8856 1.6562 0.0000 C 0 0 4.2194 0.1938 0.0000 C 0 0 3.1198 -0.8265 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 0.7500 -1.5574 0.0000 S 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -1.2990 -2.9545 0.0000 C 0 0 -2.7822 -3.1781 0.0000 C 0 0 -3.7175 -2.0053 0.0000 C 0 0 -3.1695 -0.6090 0.0000 C 0 0 -2.5245 2.0171 0.0000 S 0 0 -2.2987 3.5008 0.0000 C 0 0 -3.4702 4.4390 0.0000 C 0 0 -3.2444 5.9227 0.0000 N 0 0 -4.4139 6.8621 0.0000 C 0 0 -4.1852 8.3446 0.0000 C 0 0 -2.7870 8.8878 0.0000 N 0 0 -1.6175 7.9485 0.0000 C 0 0 -1.8462 6.4660 0.0000 C 0 0 -2.6041 10.0737 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 7 2 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 6 12 1 0 8 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 10 16 1 0 11 12 1 0 11 17 1 0 13 14 2 0 14 15 1 0 15 16 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 25 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 26 1 0 24 25 1 0 M END > 635366 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 -2.4032 -4.1625 0.0000 O 0 0 0.6890 -4.0818 0.0000 N 0 0 2.1578 -3.7735 0.0000 N 0 0 3.1600 -4.8907 0.0000 C 0 0 2.7866 -6.0311 0.0000 O 0 0 4.6288 -4.5823 0.0000 C 0 0 5.0931 -3.1559 0.0000 C 0 0 6.5604 -2.8448 0.0000 C 0 0 7.5636 -3.9600 0.0000 C 0 0 7.0994 -5.3863 0.0000 C 0 0 5.6320 -5.6975 0.0000 C 0 0 5.2607 -6.8386 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 7 11 2 0 8 9 1 0 8 10 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 20 2 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 M END > 635404 $$$$ SciTegic05042114222D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 C 0 0 -4.1845 -1.4996 0.0000 C 0 0 -4.8065 0.0000 0.0000 O 0 0 2.3383 -1.3500 0.0000 Cl 0 0 -5.1893 -0.3848 0.0000 C 0 0 -4.8187 0.7565 0.0000 O 0 0 -6.6574 -0.6966 0.0000 C 0 0 -7.6633 0.4161 0.0000 C 0 0 -9.1299 0.1015 0.0000 C 0 0 -9.5907 -1.3260 0.0000 C 0 0 -8.5849 -2.4388 0.0000 C 0 0 -7.1183 -2.1241 0.0000 C 0 0 -4.6480 -2.9270 0.0000 C 0 0 -3.6456 -4.0430 0.0000 C 0 0 -4.1109 -5.4691 0.0000 C 0 0 -5.5784 -5.7792 0.0000 C 0 0 -6.5808 -4.6633 0.0000 C 0 0 -6.1156 -3.2373 0.0000 C 0 0 -1.9077 -2.0924 0.0000 O 0 0 -2.7248 1.2135 0.0000 N 0 0 0.0000 2.7000 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 11 1 0 2 3 1 0 3 4 2 0 3 28 1 0 4 5 1 0 4 27 1 0 5 6 2 0 5 8 1 0 7 8 1 0 7 10 2 0 7 27 1 0 8 9 1 0 8 26 1 0 9 12 1 0 9 20 1 0 12 13 2 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > 635435 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 0.8582 -2.6983 0.0000 O 0 0 -2.4032 -4.1625 0.0000 O 0 0 -0.7935 -4.3737 0.0000 C 0 0 -2.2614 -4.6865 0.0000 C 0 0 -3.0645 -3.7948 0.0000 O 0 0 -2.7254 -6.1138 0.0000 C 0 0 -4.1920 -6.4285 0.0000 C 0 0 -4.6528 -7.8560 0.0000 C 0 0 -3.6470 -8.9688 0.0000 C 0 0 -1.7196 -7.2267 0.0000 C 0 0 -2.1804 -8.6541 0.0000 C 0 0 2.3383 -1.3500 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -4.9967 -5.5383 0.0000 Cl 0 0 -4.0157 -10.1108 0.0000 Cl 0 0 1 2 2 0 1 6 1 0 1 21 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 22 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 7 10 1 0 7 12 1 0 8 9 1 0 8 11 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 19 2 0 16 17 2 0 16 23 1 0 17 18 1 0 18 20 2 0 18 24 1 0 19 20 1 0 M END > 635436 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 0.8582 -2.6983 0.0000 O 0 0 -2.4032 -4.1625 0.0000 O 0 0 -0.7935 -4.3737 0.0000 C 0 0 -2.2614 -4.6865 0.0000 C 0 0 -3.0645 -3.7948 0.0000 O 0 0 -2.7254 -6.1138 0.0000 C 0 0 -4.1920 -6.4285 0.0000 C 0 0 -4.6528 -7.8560 0.0000 C 0 0 -3.6470 -8.9688 0.0000 C 0 0 -1.7196 -7.2267 0.0000 C 0 0 -2.1804 -8.6541 0.0000 C 0 0 2.3383 -1.3500 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -4.0157 -10.1108 0.0000 Cl 0 0 1 2 2 0 1 6 1 0 1 21 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 22 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 7 10 1 0 7 12 1 0 8 9 1 0 8 11 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 19 2 0 16 17 2 0 17 18 1 0 18 20 2 0 18 23 1 0 19 20 1 0 M END > 635437 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 2.3383 1.3500 0.0000 Cl 0 0 0.8582 -2.6983 0.0000 O 0 0 -2.4032 -4.1625 0.0000 O 0 0 -0.7935 -4.3737 0.0000 C 0 0 -2.2614 -4.6865 0.0000 C 0 0 -3.0645 -3.7948 0.0000 O 0 0 -2.7254 -6.1138 0.0000 C 0 0 -4.1920 -6.4285 0.0000 C 0 0 -4.6528 -7.8560 0.0000 C 0 0 -3.6470 -8.9688 0.0000 C 0 0 -1.7196 -7.2267 0.0000 C 0 0 -2.1804 -8.6541 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -6.1196 -8.1738 0.0000 N 0 3 -6.9258 -7.2850 0.0000 O 0 5 -6.4867 -9.3163 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 10 1 0 3 4 2 0 4 5 1 0 4 22 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 7 11 1 0 7 13 1 0 8 9 1 0 8 12 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 16 20 2 0 17 18 2 0 18 19 1 0 18 23 1 0 19 21 2 0 20 21 1 0 23 24 1 0 23 25 2 0 M CHG 2 23 1 24 -1 M END > 635438 $$$$ SciTegic05042114222D 16 16 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 2.5972 1.5031 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 0 2.5951 3.0039 0.0000 N 0 0 3.8933 3.7570 0.0000 N 0 0 3.8912 5.2578 0.0000 C 0 0 2.8509 5.8560 0.0000 C 0 0 5.1894 6.0109 0.0000 C 0 0 5.1876 7.2109 0.0000 O 0 0 6.2296 5.4128 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 8 1 0 3 4 2 0 4 5 1 0 5 6 2 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 14 16 1 0 M END > 635441 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 635448 $$$$ SciTegic05042114222D 27 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 N 0 3 1.0392 -3.6000 0.0000 O 0 5 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 3 -3.6373 -0.9000 0.0000 O 0 5 -3.6373 -3.6000 0.0000 C 0 0 -1.3021 -5.2508 0.0000 C 0 0 -0.2639 -5.8526 0.0000 O 0 0 -2.6029 -5.9994 0.0000 C 0 0 -2.6060 -7.5002 0.0000 C 0 0 -3.9068 -8.2488 0.0000 N 0 0 -3.9099 -9.7496 0.0000 N 0 0 -5.2107 -10.4982 0.0000 C 0 0 -6.2489 -9.8964 0.0000 O 0 0 -5.2138 -11.9990 0.0000 C 0 0 -6.5146 -12.7476 0.0000 C 0 0 -7.5547 -13.3461 0.0000 N 0 0 -1.3091 -8.2556 0.0000 C 0 0 -1.3129 -9.4556 0.0000 O 0 0 -0.2678 -7.6592 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 9 14 1 0 10 11 2 0 10 13 1 0 11 12 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 17 25 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 3 0 25 26 2 0 25 27 1 0 M CHG 4 7 1 8 -1 11 1 12 -1 M END > 635542 $$$$ SciTegic05042114222D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 N 0 3 1.0392 -3.6000 0.0000 O 0 5 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 3 -3.6373 -0.9000 0.0000 O 0 5 -3.6373 -3.6000 0.0000 C 0 0 -1.3021 -5.2508 0.0000 C 0 0 -0.2639 -5.8526 0.0000 O 0 0 -2.6029 -5.9994 0.0000 C 0 0 -2.6060 -7.5002 0.0000 C 0 0 -1.3060 -8.2502 0.0000 N 0 0 -0.2666 -7.6506 0.0000 O 0 0 -3.9068 -8.2488 0.0000 C 0 0 -4.9450 -7.6470 0.0000 O 0 0 -3.9099 -9.7496 0.0000 N 0 0 -5.2107 -10.4982 0.0000 C 0 0 -5.2160 -11.9982 0.0000 C 0 0 -6.5176 -12.7437 0.0000 C 0 0 -6.5073 -9.7437 0.0000 C 0 0 -7.8089 -10.4892 0.0000 C 0 0 -7.8141 -11.9892 0.0000 C 0 0 -8.8554 -12.5856 0.0000 Cl 0 0 -8.8460 -9.8856 0.0000 Cl 0 0 -4.1789 -12.6018 0.0000 Cl 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 9 14 1 0 10 11 2 0 10 13 1 0 11 12 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 23 26 2 0 24 25 2 0 24 31 1 0 25 28 1 0 26 27 1 0 27 28 2 0 27 30 1 0 28 29 1 0 M CHG 4 7 1 8 -1 11 1 12 -1 M END > 635544 $$$$ SciTegic05042114222D 16 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 3 -2.6024 2.6977 0.0000 O 0 5 -3.6387 0.8962 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 -1.2122 -3.8625 0.0000 N 0 0 -0.7464 -5.2884 0.0000 C 0 0 -1.4502 -6.2603 0.0000 S 0 0 0.7536 -5.2860 0.0000 N 0 0 1.2149 -3.8587 0.0000 N 0 0 1 2 1 0 1 10 2 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 1 0 5 9 2 0 6 7 1 0 6 8 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 16 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 M CHG 2 6 1 7 -1 M END > 635563 $$$$ SciTegic05042114222D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6070 -6.0002 0.0000 C 0 0 -0.0070 -6.0002 0.0000 O 0 0 1.2930 -5.2502 0.0000 C 0 0 1.2930 -4.0502 0.0000 O 0 0 3.8930 -5.2502 0.0000 C 0 0 5.1934 -5.9979 0.0000 C 0 0 6.4911 -5.2457 0.0000 C 0 0 6.4885 -3.7457 0.0000 C 0 0 5.1882 -2.9979 0.0000 C 0 0 3.8905 -3.7502 0.0000 C 0 0 -3.9070 -5.2502 0.0000 O 0 0 -5.2069 -6.0002 0.0000 C 0 0 -5.2069 -7.2002 0.0000 O 0 0 -6.5069 -5.2502 0.0000 N 0 0 -7.8069 -6.0002 0.0000 C 0 0 -9.1073 -5.2525 0.0000 C 0 0 -10.4051 -6.0048 0.0000 C 0 0 -10.4025 -7.5048 0.0000 C 0 0 -9.1022 -8.2525 0.0000 C 0 0 -7.8044 -7.5003 0.0000 C 0 0 2.5930 -6.0002 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 11 21 1 0 12 13 1 0 13 14 2 0 13 31 1 0 15 16 1 0 15 20 2 0 15 31 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 25 30 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > 635824 $$$$ SciTegic05042114222D 29 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 S 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 -3.6373 -3.6000 0.0000 O 0 0 -1.2959 -5.2508 0.0000 C 0 0 -2.5928 -6.0062 0.0000 C 0 0 -3.6342 -5.4098 0.0000 O 0 0 -2.5881 -7.5070 0.0000 C 0 0 -1.5468 -8.1034 0.0000 O 0 0 -3.8850 -8.2624 0.0000 O 0 0 -3.8812 -9.4623 0.0000 C 0 0 0.0049 -5.9994 0.0000 C 0 0 1.0431 -5.3976 0.0000 O 0 0 0.0080 -7.5002 0.0000 N 0 0 1.3088 -8.2488 0.0000 C 0 0 2.6053 -7.4943 0.0000 C 0 0 3.9070 -8.2398 0.0000 C 0 0 3.9121 -9.7398 0.0000 C 0 0 2.6157 -10.4943 0.0000 C 0 0 1.3141 -9.7488 0.0000 C 0 0 0.2769 -10.3524 0.0000 C 0 0 2.6199 -11.6943 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 12 1 0 9 10 1 0 9 11 2 0 12 13 1 0 12 19 1 0 13 14 2 0 13 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 22 27 2 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 29 1 0 27 28 1 0 M END > 635833 $$$$ SciTegic05042114222D 10 10 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 2.3548 0.7651 0.0000 O 0 0 0.0000 1.2760 0.0000 O 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 N 0 0 -2.3548 0.7651 0.0000 C 0 0 1.6281 -2.2462 0.0000 C 0 0 1.1385 -3.3418 0.0000 C 0 0 2.8218 -2.1229 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 8 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 8 9 1 0 8 10 1 0 M END > 635968 $$$$ SciTegic05042114222D 15 16 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.0388 3.6015 0.0000 C 0 0 -1.0394 3.6005 0.0000 C 0 0 -0.0006 4.2008 0.0000 C 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.6523 -5.1712 0.0000 C 0 0 -3.0999 -4.7779 0.0000 C 0 0 -2.7066 -3.3304 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 5 6 2 0 6 11 1 0 7 8 1 0 7 9 1 0 7 10 1 0 11 12 1 0 12 13 1 0 12 15 1 0 13 14 1 0 14 15 1 0 M END > 635975 $$$$ SciTegic05042114222D 23 24 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 1.0351 3.6026 0.0000 O 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -2.6078 5.9988 0.0000 C 0 0 -2.6131 7.4988 0.0000 C 0 0 -3.9148 8.2443 0.0000 C 0 0 -3.9189 9.4443 0.0000 Cl 0 0 -5.2112 7.4898 0.0000 C 0 0 -5.2060 5.9898 0.0000 C 0 0 -3.9044 5.2443 0.0000 C 0 0 -2.6039 2.9994 0.0000 C 0 0 -2.6039 1.7994 0.0000 O 0 0 -3.9039 3.7494 0.0000 C 0 0 -3.9039 4.9494 0.0000 O 0 0 -4.9433 3.1497 0.0000 O 0 0 1 2 1 0 2 3 1 0 2 7 1 0 3 4 1 0 4 5 1 0 4 8 1 0 5 6 1 0 6 7 1 0 8 9 2 0 8 10 1 0 10 11 2 0 10 19 1 0 11 12 1 0 12 13 1 0 12 18 2 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 2 0 M END > 636084 $$$$ SciTegic05042114222D 22 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 1.0351 -3.6026 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.2688 -5.8520 0.0000 O 0 0 -2.6078 -5.9988 0.0000 C 0 0 -3.6460 -5.3970 0.0000 O 0 0 -2.6109 -7.4996 0.0000 N 0 0 -3.9117 -8.2482 0.0000 C 0 0 -3.9170 -9.7482 0.0000 C 0 0 -5.2186 -10.4937 0.0000 C 0 0 -6.5150 -9.7392 0.0000 C 0 0 -6.5099 -8.2392 0.0000 C 0 0 -5.2082 -7.4937 0.0000 C 0 0 -5.2228 -11.6937 0.0000 C 0 0 -7.5563 -10.3356 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 15 20 2 0 16 17 2 0 17 18 1 0 17 21 1 0 18 19 2 0 18 22 1 0 19 20 1 0 M END > 636126 $$$$ SciTegic05042114222D 22 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -2.3421 -3.1476 0.0000 O 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.2688 -5.8520 0.0000 O 0 0 -2.6078 -5.9988 0.0000 N 0 0 -2.6109 -7.4996 0.0000 C 0 0 -1.3118 -8.2497 0.0000 C 0 0 -1.3119 -9.7497 0.0000 C 0 0 -2.6109 -10.4997 0.0000 C 0 0 -3.9100 -9.7497 0.0000 C 0 0 -3.9099 -8.2497 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 1.2954 -3.7535 0.0000 C 0 0 2.3336 -4.3553 0.0000 N 0 0 -4.9492 -7.6497 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 19 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 20 1 0 8 9 2 0 8 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 22 1 0 20 21 3 0 M END > 636132 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1.3039 -3.7494 0.0000 C 0 0 1.3070 -5.2502 0.0000 C 0 0 0.2688 -5.8520 0.0000 O 0 0 2.3383 -1.3500 0.0000 O 0 0 0.0031 -3.0008 0.0000 C 0 0 2.6078 -5.9988 0.0000 C 0 0 2.6131 -7.4988 0.0000 C 0 0 3.9147 -8.2443 0.0000 C 0 0 5.2112 -7.4898 0.0000 C 0 0 5.2060 -5.9898 0.0000 C 0 0 3.9044 -5.2443 0.0000 C 0 0 3.9189 -9.4443 0.0000 O 0 0 1 2 1 0 1 5 2 0 1 14 1 0 2 3 2 0 3 4 1 0 4 6 2 0 4 7 1 0 5 6 1 0 5 15 1 0 6 10 1 0 7 8 2 0 8 9 1 0 9 10 2 0 11 12 1 0 11 15 2 0 12 16 1 0 12 13 2 0 16 17 1 0 16 21 2 0 17 18 2 0 18 19 1 0 18 22 1 0 19 20 2 0 20 21 1 0 M END > 636786 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 S 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -0.1116 3.2255 0.0000 C 0 0 1.1278 4.0705 0.0000 C 0 0 2.4792 3.4197 0.0000 C 0 0 2.5913 1.9239 0.0000 C 0 0 -1.3515 1.0777 0.0000 N 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 1.2707 -2.6386 0.0000 C 0 0 -3.1484 -0.7186 0.0000 C 0 0 -4.1145 0.4339 0.0000 C 0 0 -5.5920 0.1754 0.0000 C 0 0 -6.1069 -1.2335 0.0000 C 0 0 -7.5847 -1.4953 0.0000 O 0 0 -5.1442 -2.3838 0.0000 C 0 0 -3.6667 -2.1253 0.0000 C 0 0 -7.9950 -2.6229 0.0000 C 0 0 1 2 1 0 1 11 1 0 2 3 1 0 2 7 2 0 3 4 2 0 3 8 1 0 4 5 1 0 5 6 2 0 6 7 1 0 8 9 2 0 9 10 1 0 9 13 1 0 10 11 1 0 11 12 1 0 13 14 1 0 13 19 2 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 17 20 1 0 18 19 1 0 M END > 636817 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 N 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2991 5.2507 0.0000 C 0 0 -0.0012 6.0029 0.0000 C 0 0 -0.0036 7.5029 0.0000 C 0 0 -1.3039 8.2509 0.0000 C 0 0 -2.6017 7.4988 0.0000 C 0 0 -2.5993 5.9988 0.0000 N 0 0 -3.8994 0.7522 0.0000 N 0 0 -5.1981 1.5045 0.0000 C 0 0 -5.1960 2.7045 0.0000 N 0 0 -6.4994 0.7567 0.0000 C 0 0 -7.7985 1.5067 0.0000 C 0 0 -9.0975 0.7567 0.0000 C 0 0 -9.0975 -0.7433 0.0000 C 0 0 -7.7985 -1.4933 0.0000 C 0 0 -6.4995 -0.7433 0.0000 N 0 0 1 2 1 0 1 10 2 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 7 17 1 0 8 9 2 0 9 10 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > 637578 > 118112-10-0 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 S 0 0 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -5.1953 -1.5031 0.0000 C 0 0 -5.1932 -3.0039 0.0000 C 0 0 -4.1529 -3.6021 0.0000 O 0 0 -6.4914 -3.7570 0.0000 N 0 0 -6.4892 -5.2578 0.0000 C 0 0 -7.7857 -6.0124 0.0000 C 0 0 -7.7805 -7.5124 0.0000 C 0 0 -6.4788 -8.2579 0.0000 C 0 0 -5.1824 -7.5034 0.0000 C 0 0 -5.1876 -6.0034 0.0000 C 0 0 -9.0896 -5.2692 0.0000 O 0 0 -10.3856 -6.0261 0.0000 C 0 0 -11.4282 -5.4318 0.0000 C 0 0 -4.9364 1.3500 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 4 10 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 8 11 1 0 9 10 1 0 9 24 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 16 21 1 0 17 18 2 0 18 19 1 0 19 20 2 0 21 22 1 0 22 23 1 0 M END > 637680 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 -1.2990 -4.9500 0.0000 O 0 0 -3.8994 -0.7523 0.0000 N 0 0 -5.1981 -1.5045 0.0000 C 0 0 -6.4998 -0.7591 0.0000 C 0 0 -7.7962 -1.5136 0.0000 C 0 0 -7.7910 -3.0136 0.0000 C 0 0 -6.4894 -3.7591 0.0000 N 0 0 -5.1929 -3.0046 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 1 0 7 11 2 0 8 9 1 0 8 12 2 0 9 10 2 0 10 13 1 0 13 14 1 0 14 15 1 0 14 19 2 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > 637729 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 -1.2990 -3.7500 0.0000 C 0 0 -1.2990 -4.9500 0.0000 O 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.8994 -0.7523 0.0000 N 0 0 -5.1981 -1.5045 0.0000 C 0 0 -6.4994 -0.7568 0.0000 C 0 0 -7.7980 -1.5091 0.0000 C 0 0 -9.0997 -0.7636 0.0000 C 0 0 -10.3962 -1.5181 0.0000 C 0 0 -10.3910 -3.0181 0.0000 C 0 0 -9.0893 -3.7636 0.0000 C 0 0 -7.7929 -3.0091 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 12 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 M END > 637731 $$$$ SciTegic05042114222D 13 12 0 0 0 0 999 V2000 6.5000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 S 0 0 3.9000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 S 0 0 1.3000 0.7500 0.0000 C 0 0 1.3000 1.9500 0.0000 C 0 0 0.2606 0.1503 0.0000 O 0 0 3.8969 2.2508 0.0000 S 0 0 2.5961 2.9994 0.0000 C 0 0 2.5936 4.1994 0.0000 O 0 0 1.5579 2.3976 0.0000 C 0 0 7.5394 0.1503 0.0000 O 0 0 6.5000 1.9500 0.0000 C 0 0 1 2 1 0 1 12 2 0 1 13 1 0 2 3 1 0 3 4 1 0 3 8 1 0 4 5 1 0 5 6 1 0 5 7 2 0 8 9 1 0 9 10 2 0 9 11 1 0 M END > 637833 $$$$ SciTegic05042114222D 23 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5956 -2.7031 0.0000 O 0 0 3.4642 -1.0046 0.0000 H 0 0 -2.5988 1.5006 0.0000 N 0 0 -3.8969 0.7474 0.0000 C 0 0 -3.8946 -0.7535 0.0000 C 0 0 -5.1927 -1.5067 0.0000 C 0 0 -6.2306 -2.1090 0.0000 N 0 0 -2.5994 3.0015 0.0000 S 0 0 -1.5600 2.4017 0.0000 O 0 0 -1.5602 3.6016 0.0000 O 0 0 -3.8990 3.7521 0.0000 C 0 0 -5.1982 3.0023 0.0000 C 0 0 -6.4971 3.7526 0.0000 C 0 0 -6.4968 5.2526 0.0000 C 0 0 -5.1976 6.0023 0.0000 C 0 0 -3.8987 5.2521 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 10 1 0 5 6 2 0 7 8 2 0 7 9 1 0 10 11 1 0 10 15 1 0 11 12 1 0 12 13 1 0 13 14 3 0 15 16 2 0 15 17 2 0 15 18 1 0 18 19 1 0 18 23 2 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > 637914 $$$$ SciTegic05042114222D 32 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -3.6479 -6.5973 0.0000 N 0 0 1.2938 -3.7562 0.0000 C 0 0 1.2891 -5.2570 0.0000 C 0 0 2.5860 -6.0123 0.0000 C 0 0 3.6229 -6.6163 0.0000 N 0 0 -0.0031 3.0008 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -2.6532 3.1236 0.0000 N 0 0 -3.6607 4.2349 0.0000 C 0 0 -2.9153 5.5365 0.0000 O 0 0 -1.4470 5.2297 0.0000 C 0 0 -0.5532 6.0305 0.0000 O 0 0 -5.1527 4.0728 0.0000 C 0 0 -5.8565 2.7538 0.0000 C 0 0 -7.3557 2.7045 0.0000 C 0 0 -8.1480 3.9781 0.0000 C 0 0 -7.4411 5.3011 0.0000 C 0 0 -5.9419 5.3504 0.0000 C 0 0 -5.2223 1.7350 0.0000 Cl 0 0 -8.2312 6.5771 0.0000 N 0 3 -9.4306 6.5398 0.0000 O 0 5 -7.6642 7.6347 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 12 1 0 8 9 1 0 9 10 1 0 10 11 3 0 12 13 1 0 13 14 1 0 14 15 3 0 16 17 2 0 17 18 1 0 17 21 1 0 18 19 2 0 19 20 1 0 19 23 1 0 20 21 1 0 21 22 2 0 23 24 2 0 23 28 1 0 24 25 1 0 24 29 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 30 1 0 30 31 1 0 30 32 2 0 M CHG 2 30 1 31 -1 M END > 637916 $$$$ SciTegic05042114222D 28 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 O 0 0 -3.1471 2.9705 0.0000 C 0 0 -4.6471 2.9705 0.0000 N 0 0 -5.1992 -3.0009 0.0000 N 0 0 -2.4629 3.9563 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 -6.5000 -3.7494 0.0000 C 0 0 -6.5031 -5.2502 0.0000 C 0 0 -7.8039 -5.9988 0.0000 N 0 0 -7.8070 -7.4996 0.0000 C 0 0 -8.8471 -8.0981 0.0000 C 0 0 -9.1040 -5.2488 0.0000 C 0 0 -10.1434 -5.8485 0.0000 C 0 0 1 2 1 0 1 6 2 0 1 20 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 10 1 0 7 8 1 0 7 16 1 0 8 9 1 0 8 11 2 0 9 10 1 0 9 14 2 0 10 15 2 0 11 12 1 0 11 17 1 0 12 13 2 0 13 14 1 0 14 18 1 0 16 17 2 0 16 19 1 0 18 22 1 0 20 21 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 27 1 0 25 26 1 0 27 28 1 0 M END > 637993 $$$$ SciTegic05042114222D 56 61 0 0 0 0 999 V2000 11.6839 -8.2643 0.0000 C 0 0 11.6838 -9.7643 0.0000 C 0 0 10.3847 -10.5142 0.0000 C 0 0 9.0857 -9.7642 0.0000 C 0 0 9.0857 -8.2641 0.0000 C 0 0 10.3848 -7.5142 0.0000 C 0 0 7.7875 -7.5110 0.0000 C 0 0 7.7897 -6.0102 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 12.9820 -10.5174 0.0000 N 0 0 12.9798 -12.0183 0.0000 N 0 0 2.5973 -1.5031 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 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 14.2779 -12.7714 0.0000 C 0 0 14.2779 -14.2714 0.0000 C 0 0 15.5769 -15.0215 0.0000 C 0 0 16.8760 -14.2716 0.0000 C 0 0 16.8761 -12.7716 0.0000 C 0 0 15.5771 -12.0215 0.0000 C 0 0 15.5768 -16.5215 0.0000 N 0 0 16.8758 -17.2716 0.0000 C 0 0 18.1749 -16.5217 0.0000 C 0 0 18.1750 -15.0217 0.0000 C 0 0 -2.5988 -1.5004 0.0000 S 0 0 -3.6384 -0.9011 0.0000 O 0 0 -2.5984 -2.7004 0.0000 O 0 0 -3.6377 -2.1009 0.0000 O 0 0 7.7859 -10.5146 0.0000 S 0 0 7.7852 -11.7146 0.0000 O 0 0 6.7469 -9.9142 0.0000 O 0 0 6.7464 -11.1140 0.0000 O 0 0 18.1759 -12.0213 0.0000 S 0 0 19.2155 -12.6207 0.0000 O 0 0 18.1756 -10.8213 0.0000 O 0 0 19.2149 -11.4209 0.0000 O 0 0 7.7913 -3.0067 0.0000 S 0 0 8.8309 -3.6061 0.0000 O 0 0 7.7909 -1.8067 0.0000 O 0 0 8.8302 -2.4062 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 13.2386 -14.8714 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 16 1 0 3 4 2 0 4 5 1 0 4 43 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 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 14 51 1 0 15 18 2 0 16 17 2 0 17 29 1 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 55 1 0 21 22 2 0 21 25 1 0 22 23 1 0 22 28 1 0 23 24 2 0 23 39 1 0 25 26 2 0 26 27 1 0 27 28 2 0 29 30 2 0 29 34 1 0 30 31 1 0 30 56 1 0 31 32 2 0 31 35 1 0 32 33 1 0 32 38 1 0 33 34 2 0 33 47 1 0 35 36 2 0 36 37 1 0 37 38 2 0 39 40 2 0 39 41 2 0 39 42 1 0 43 44 2 0 43 45 2 0 43 46 1 0 47 48 2 0 47 49 2 0 47 50 1 0 51 52 2 0 51 53 2 0 51 54 1 0 M END > 638352 $$$$ SciTegic05042114222D 31 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8915 -3.7585 0.0000 C 0 0 -4.9328 -3.1621 0.0000 O 0 0 -3.8863 -5.2585 0.0000 C 0 0 -5.1819 -6.0161 0.0000 C 0 0 -2.5847 -6.0040 0.0000 C 0 0 -1.2883 -5.2495 0.0000 N 0 0 -1.2935 -3.7495 0.0000 C 0 0 -5.1746 -7.5169 0.0000 C 0 0 -6.4684 -8.2760 0.0000 C 0 0 -3.8704 -8.2580 0.0000 C 0 0 -3.8600 -9.7579 0.0000 C 0 0 -5.1538 -10.5169 0.0000 C 0 0 -6.4580 -9.7759 0.0000 C 0 0 0.0156 -5.9927 0.0000 C 0 0 0.0219 -7.1927 0.0000 O 0 0 1.3117 -5.2360 0.0000 C 0 0 2.6156 -5.9792 0.0000 C 0 0 3.9116 -5.2225 0.0000 C 0 0 5.2159 -5.9634 0.0000 C 0 0 3.9013 -3.7224 0.0000 C 0 0 5.1951 -2.9635 0.0000 C 0 0 6.4993 -3.7045 0.0000 C 0 0 6.5097 -5.2044 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 8 15 1 0 9 10 2 0 9 11 1 0 11 12 2 0 11 13 1 0 12 16 1 0 13 14 1 0 14 15 1 0 14 22 1 0 16 17 2 0 16 18 1 0 17 21 1 0 18 19 2 0 19 20 1 0 20 21 2 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 27 31 1 0 28 29 2 0 29 30 1 0 30 31 2 0 M END > 638634 $$$$ SciTegic05042114222D 35 38 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 2.3383 -1.3500 0.0000 Cl 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8915 -3.7585 0.0000 C 0 0 -4.9328 -3.1621 0.0000 O 0 0 -3.8863 -5.2585 0.0000 C 0 0 -5.1819 -6.0161 0.0000 C 0 0 -2.5847 -6.0040 0.0000 C 0 0 -1.2883 -5.2495 0.0000 N 0 0 -1.2935 -3.7495 0.0000 C 0 0 -5.1746 -7.5169 0.0000 C 0 0 -6.4684 -8.2760 0.0000 C 0 0 -3.8704 -8.2580 0.0000 C 0 0 -3.8600 -9.7579 0.0000 C 0 0 -2.8166 -10.3507 0.0000 Cl 0 0 -5.1538 -10.5169 0.0000 C 0 0 -5.1455 -11.7169 0.0000 Cl 0 0 -6.4580 -9.7759 0.0000 C 0 0 0.0156 -5.9927 0.0000 C 0 0 0.0219 -7.1927 0.0000 O 0 0 1.3117 -5.2360 0.0000 C 0 0 2.6156 -5.9792 0.0000 C 0 0 3.9116 -5.2225 0.0000 N 0 0 5.2159 -5.9634 0.0000 C 0 0 6.5097 -5.2044 0.0000 C 0 0 6.4993 -3.7045 0.0000 O 0 0 5.1951 -2.9635 0.0000 C 0 0 3.9013 -3.7224 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 8 1 0 2 3 1 0 2 7 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 9 1 0 9 10 2 0 10 11 1 0 10 17 1 0 11 12 2 0 11 13 1 0 13 14 2 0 13 15 1 0 14 18 1 0 15 16 1 0 16 17 1 0 16 26 1 0 18 19 2 0 18 20 1 0 19 25 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 2 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 35 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 M END > 638646 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 N 0 0 3.8056 -3.8679 0.0000 C 0 0 1.8372 -5.2877 0.0000 C 0 0 1.3786 -3.8595 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 1.2135 0.0000 N 0 0 -5.1047 0.0031 0.0000 N 0 0 -5.8532 1.3039 0.0000 C 0 0 -5.2514 2.3421 0.0000 O 0 0 -7.3541 1.3070 0.0000 O 0 0 -8.1026 2.6079 0.0000 C 0 0 -9.3026 2.6104 0.0000 C 0 0 3.3372 -5.2929 0.0000 C 0 0 1 2 1 0 1 5 1 0 1 4 1 0 2 21 2 0 3 4 2 0 3 21 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 14 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 M END > 639754 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 1.0351 3.6026 0.0000 O 0 0 -1.3039 3.7494 0.0000 N 0 0 -1.3070 5.2502 0.0000 C 0 0 -0.2688 5.8520 0.0000 O 0 0 -2.6078 5.9988 0.0000 N 0 0 -2.6109 7.4996 0.0000 C 0 0 -3.9100 8.2496 0.0000 C 0 0 -3.9100 9.7496 0.0000 C 0 0 -2.6110 10.4997 0.0000 C 0 0 -1.3119 9.7497 0.0000 C 0 0 -1.3119 8.2497 0.0000 C 0 0 -0.2727 10.3497 0.0000 Cl 0 0 -2.6141 12.0005 0.0000 O 0 0 -3.9150 12.7490 0.0000 C 0 0 -3.9203 14.2491 0.0000 N 0 0 -5.2219 14.9945 0.0000 C 0 0 -6.5184 14.2400 0.0000 C 0 0 -6.5131 12.7400 0.0000 C 0 0 -5.2115 11.9945 0.0000 N 0 0 -7.5597 14.8364 0.0000 Br 0 0 2.3383 1.3500 0.0000 N 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 28 1 0 3 4 1 0 3 7 1 0 4 5 2 0 5 6 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 20 1 0 17 18 2 0 17 19 1 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 M END > 639828 > 134742-26-0 $$$$ SciTegic05042114222D 41 45 0 0 0 0 999 V2000 6.2441 3.9493 0.0000 C 0 0 7.1296 2.7385 0.0000 C 0 0 6.5238 1.3662 0.0000 C 0 0 5.0324 1.2049 0.0000 C 0 0 4.1470 2.4157 0.0000 C 0 0 4.7528 3.7879 0.0000 C 0 0 6.7288 5.0471 0.0000 Cl 0 0 4.0445 4.7565 0.0000 Cl 0 0 7.4072 0.1530 0.0000 N 0 0 6.8001 -1.2168 0.0000 C 0 0 7.5496 -2.5161 0.0000 N 0 0 6.5455 -3.6304 0.0000 C 0 0 5.1943 -3.0089 0.0000 C 0 0 5.3328 -1.5281 0.0000 S 0 0 6.7876 -4.8058 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8912 -5.2578 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.4133 1.7530 0.0000 O 0 0 -1.8032 3.1233 0.0000 C 0 0 -0.3115 2.9665 0.0000 O 0 0 2.5909 -6.0072 0.0000 N 0 0 2.5887 -7.5080 0.0000 C 0 0 3.8882 -8.2573 0.0000 C 0 0 3.8892 -9.7573 0.0000 C 0 0 2.5906 -10.5081 0.0000 C 0 0 1.2911 -9.7589 0.0000 C 0 0 1.2902 -8.2589 0.0000 C 0 0 -0.0116 -7.5120 0.0000 N 0 3 -0.0145 -6.3120 0.0000 O 0 5 -1.0496 -8.1142 0.0000 O 0 0 2.5884 -12.0090 0.0000 N 0 3 3.6269 -12.6101 0.0000 O 0 5 1.5487 -12.6081 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 3 9 1 0 4 5 1 0 5 6 2 0 6 8 1 0 9 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 13 16 1 0 16 17 2 0 16 18 1 0 17 29 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 22 28 1 0 23 24 1 0 23 26 1 0 24 25 2 0 26 27 1 0 27 28 1 0 29 30 1 0 30 31 1 0 30 35 2 0 31 32 2 0 32 33 1 0 33 34 2 0 33 39 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 2 0 39 40 1 0 39 41 2 0 M CHG 4 36 1 37 -1 39 1 40 -1 M END > 640335 $$$$ SciTegic05042114222D 68 74 0 0 0 0 999 V2000 2.3383 -1.3500 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 0.0031 3.0008 0.0000 N 0 3 -1.0351 3.6026 0.0000 O 0 5 1.0432 3.5994 0.0000 O 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2526 1.3618 0.0000 S 0 0 -6.2524 0.2436 0.0000 C 0 0 -5.4979 -1.0529 0.0000 C 0 0 -4.0317 -0.7359 0.0000 N 0 0 -5.9821 -2.1508 0.0000 C 0 0 -7.7427 0.3970 0.0000 C 0 0 -8.6219 -0.8194 0.0000 N 0 0 -8.3556 1.7669 0.0000 C 0 0 -7.4764 2.9833 0.0000 C 0 0 -8.0894 4.3533 0.0000 C 0 0 -7.2125 5.5703 0.0000 C 0 0 -7.8278 6.9382 0.0000 C 0 0 -9.3202 7.0892 0.0000 C 0 0 -10.1972 5.8723 0.0000 C 0 0 -9.5818 4.5044 0.0000 C 0 0 -9.9388 8.4567 0.0000 C 0 0 -11.4322 8.6057 0.0000 C 0 0 -12.0507 9.9731 0.0000 C 0 0 -9.6882 11.1808 0.0000 S 0 0 -9.2307 12.6094 0.0000 C 0 0 -10.4480 13.4859 0.0000 N 0 0 -11.6578 12.5991 0.0000 C 0 0 -12.8027 12.9582 0.0000 C 0 0 -13.5441 10.1221 0.0000 N 0 0 -11.5274 -7.0498 0.0000 C 0 0 -10.9167 -8.4199 0.0000 C 0 0 -9.4249 -8.5760 0.0000 C 0 0 -8.5437 -7.3621 0.0000 C 0 0 -9.1543 -5.9920 0.0000 N 0 3 -10.6463 -5.8359 0.0000 C 0 0 -7.8088 13.0814 0.0000 N 0 0 -7.5051 14.5512 0.0000 C 0 0 -6.0821 15.0258 0.0000 C 0 0 -5.7816 16.4954 0.0000 C 0 0 -6.9040 17.4904 0.0000 C 0 0 -8.3270 17.0159 0.0000 C 0 0 -8.6275 15.5463 0.0000 C 0 0 -4.9570 14.0325 0.0000 N 0 3 -5.1953 12.8564 0.0000 O 0 5 -3.8192 14.4138 0.0000 O 0 0 -6.6636 18.6661 0.0000 C 0 0 -11.1754 11.1922 0.0000 C 0 0 -14.1627 11.4895 0.0000 N 0 0 -20.1338 12.0809 0.0000 C 0 0 -20.7539 13.4467 0.0000 C 0 0 -19.8811 14.6666 0.0000 C 0 0 -18.3882 14.5208 0.0000 C 0 0 -17.7680 13.1550 0.0000 N 0 3 -18.6409 11.9350 0.0000 C 0 0 -15.6561 11.6385 0.0000 C 0 0 -16.3560 10.6638 0.0000 O 0 0 -16.2746 13.0060 0.0000 C 0 0 -8.0089 -2.1893 0.0000 N 0 0 -8.8881 -3.4057 0.0000 C 0 0 -10.0818 -3.2828 0.0000 O 0 0 -8.2752 -4.7756 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 6 2 0 3 4 2 0 4 5 1 0 4 8 1 0 5 7 2 0 5 11 1 0 6 7 1 0 8 9 1 0 8 10 2 0 11 12 1 0 12 13 1 0 12 16 2 0 13 14 1 0 14 15 2 0 14 18 1 0 15 16 1 0 15 17 1 0 18 19 2 0 18 20 1 0 19 65 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 25 26 1 0 25 28 1 0 26 27 2 0 28 29 2 0 29 30 1 0 30 54 1 0 30 36 2 0 31 32 1 0 31 54 1 0 32 33 2 0 32 43 1 0 33 34 1 0 34 35 1 0 34 54 2 0 36 55 1 0 37 38 2 0 37 42 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 41 68 1 0 43 44 1 0 44 45 2 0 44 49 1 0 45 46 1 0 45 50 1 0 46 47 2 0 47 48 1 0 47 53 1 0 48 49 2 0 50 51 1 0 50 52 2 0 55 62 1 0 56 57 2 0 56 61 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 60 64 1 0 62 63 2 0 62 64 1 0 65 66 1 0 66 67 2 0 66 68 1 0 M CHG 6 8 1 9 -1 41 1 50 1 51 -1 60 1 M END > 640342 $$$$ SciTegic05042114222D 16 16 0 0 1 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 1 0 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 2 0 0 0 1.4553 -2.0031 0.0000 O 0 0 1.9914 -2.0867 0.0000 N 0 0 2.8830 -2.8899 0.0000 C 0 0 -2.8377 0.5177 0.0000 N 0 0 -4.0311 0.6434 0.0000 C 0 0 -2.1324 1.4886 0.0000 C 0 0 -2.2267 -0.8532 0.0000 C 0 0 -0.3288 -1.9393 0.0000 H 0 0 0.8502 -2.4577 0.0000 C 0 0 2.3029 -0.6186 0.0000 C 0 0 1.4059 1.3756 0.0000 H 0 0 1 2 1 0 1 5 1 0 1 6 2 0 2 3 1 0 2 15 1 0 2 16 1 6 3 4 1 0 4 5 1 0 5 12 1 0 5 13 1 6 7 8 1 0 7 14 1 0 7 15 1 0 9 10 1 0 9 11 1 0 9 12 1 0 M END > 640391 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 4.9336 -3.1588 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 S 0 0 5.1017 -6.1218 0.0000 C 0 0 6.2421 -5.7482 0.0000 C 0 0 4.6332 -7.5468 0.0000 N 0 0 3.1332 -7.5416 0.0000 C 0 0 2.2469 -8.7527 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 0.7527 -8.7026 0.0000 C 0 0 -0.0396 -9.9763 0.0000 C 0 0 0.6673 -11.2993 0.0000 C 0 0 2.1665 -11.3486 0.0000 N 0 0 2.9588 -10.0749 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 11 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 6 18 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 2 0 11 12 1 0 11 13 2 0 12 16 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 20 1 0 17 24 2 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > 640580 $$$$ SciTegic05042114222D 35 39 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 4.9336 -3.1588 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 S 0 0 5.1017 -6.1218 0.0000 C 0 0 6.2421 -5.7482 0.0000 C 0 0 4.6332 -7.5468 0.0000 N 0 0 3.1332 -7.5416 0.0000 C 0 0 2.2469 -8.7527 0.0000 N 0 0 2.8320 -10.1210 0.0000 N 0 0 1.6878 -11.0910 0.0000 C 0 0 0.4117 -10.3025 0.0000 C 0 0 0.7673 -8.8452 0.0000 C 0 0 3.0948 -13.3349 0.0000 C 0 0 1.8000 -12.5875 0.0000 C 0 0 0.4967 -13.3336 0.0000 C 0 0 0.4960 -14.8336 0.0000 C 0 0 1.7947 -15.5842 0.0000 C 0 0 3.0941 -14.8349 0.0000 C 0 0 -0.1960 -7.6945 0.0000 C 0 0 0.2044 -6.2543 0.0000 C 0 0 -0.8469 -5.1844 0.0000 C 0 0 -2.2991 -5.5599 0.0000 C 0 0 -2.7001 -7.0053 0.0000 C 0 0 -1.6488 -8.0753 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1 2 2 0 1 3 1 0 1 11 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 7 34 1 0 8 9 1 0 8 35 1 0 9 10 2 0 11 12 1 0 11 13 2 0 12 16 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 21 1 0 18 19 2 0 19 20 1 0 19 23 1 0 20 21 2 0 21 28 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 28 29 2 0 28 33 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 M END > 640584 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3238 -0.1256 0.0000 C 0 0 1.2709 -1.9497 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.7248 -1.2135 0.0000 S 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 1.2135 0.0000 N 0 0 -5.1072 0.0000 0.0000 C 0 0 -5.9493 -1.2353 0.0000 C 0 0 -7.4450 -1.1225 0.0000 C 0 0 -8.0952 0.2293 0.0000 C 0 0 -9.2918 0.3196 0.0000 N 0 0 -7.2496 1.4682 0.0000 C 0 0 -5.7538 1.3554 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 19 1 0 2 5 2 0 5 6 1 0 5 18 1 0 6 7 1 0 6 10 1 0 7 8 1 0 7 19 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 17 2 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 M END > 640624 $$$$ SciTegic05042114222D 38 42 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 2.5987 1.5004 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -2.5977 -1.5021 0.0000 N 0 0 -2.5952 -3.0030 0.0000 N 0 0 1.3091 -9.7533 0.0000 C 0 0 1.3096 -8.2533 0.0000 C 0 0 0.0109 -7.5027 0.0000 C 0 0 -1.2885 -8.2524 0.0000 C 0 0 -1.2890 -9.7524 0.0000 C 0 0 0.0097 -10.5028 0.0000 C 0 0 -3.8982 -0.7531 0.0000 C 0 0 -4.9367 -1.3545 0.0000 S 0 0 -5.2060 2.9968 0.0000 C 0 0 -6.5073 3.7428 0.0000 C 0 0 -7.8040 2.9889 0.0000 C 0 0 -7.7994 1.4889 0.0000 C 0 0 -6.4981 0.7429 0.0000 C 0 0 -5.2013 1.4968 0.0000 C 0 0 -3.9008 0.7477 0.0000 N 0 0 -1.2947 -3.7520 0.0000 C 0 0 -1.2922 -5.2529 0.0000 C 0 0 0.0083 -6.0019 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 3 13 1 0 4 5 1 0 5 6 2 0 5 19 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 13 14 1 0 13 17 2 0 14 15 2 0 15 16 1 0 16 18 2 0 17 18 1 0 19 20 1 0 19 27 1 0 20 36 2 0 21 22 1 0 21 26 2 0 22 23 2 0 23 24 1 0 23 38 1 0 24 25 2 0 25 26 1 0 27 28 2 0 27 35 1 0 29 30 2 0 29 34 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 36 37 1 0 37 38 2 0 M END > 640637 $$$$ SciTegic05042114222D 31 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 2.5987 1.5004 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -2.5972 -1.5031 0.0000 N 0 0 -2.5951 -3.0039 0.0000 N 0 0 -3.8933 -3.7570 0.0000 C 0 0 -3.8912 -5.2578 0.0000 C 0 0 -2.8509 -5.8560 0.0000 Br 0 0 -5.1894 -6.0109 0.0000 C 0 0 -6.2296 -5.4127 0.0000 Br 0 0 -5.1872 -7.5117 0.0000 C 0 0 -6.4836 -8.2663 0.0000 C 0 0 -6.4784 -9.7663 0.0000 C 0 0 -5.1768 -10.5118 0.0000 C 0 0 -3.8804 -9.7573 0.0000 C 0 0 -3.8856 -8.2573 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 3 13 1 0 4 5 1 0 5 6 2 0 5 19 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 13 14 1 0 13 17 2 0 14 15 2 0 15 16 1 0 16 18 2 0 17 18 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 31 2 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M END > 640638 $$$$ SciTegic05042114222D 33 36 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 C 0 0 -3.6065 0.0000 0.0000 O 0 0 -2.7248 -1.2135 0.0000 C 0 0 -3.0955 -2.3548 0.0000 O 0 0 -3.1894 2.6378 0.0000 C 0 0 -4.6579 2.9477 0.0000 C 0 0 -5.0300 4.0886 0.0000 O 0 0 -5.6612 1.8316 0.0000 C 0 0 -7.1294 2.1392 0.0000 C 0 0 -8.1299 1.0216 0.0000 C 0 0 -7.6622 -0.4037 0.0000 C 0 0 -6.1941 -0.7113 0.0000 C 0 0 -5.1936 0.4062 0.0000 C 0 0 -7.5035 3.2794 0.0000 F 0 0 -2.1861 3.7540 0.0000 C 0 0 -2.5582 4.8948 0.0000 O 0 0 -0.7176 3.4441 0.0000 C 0 0 -0.3455 2.3033 0.0000 O 0 0 0.2857 4.5603 0.0000 N 0 0 1.7542 4.2504 0.0000 C 0 0 2.2170 2.8235 0.0000 C 0 0 3.6841 2.5108 0.0000 C 0 0 4.6884 3.6249 0.0000 C 0 0 4.2257 5.0518 0.0000 C 0 0 2.7586 5.3645 0.0000 C 0 0 2.2957 6.7921 0.0000 C 0 0 1.9256 7.9336 0.0000 N 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 9 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 11 21 1 0 12 13 2 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 18 19 2 0 21 22 2 0 21 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 2 0 26 31 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 3 0 M END > 640974 $$$$ SciTegic05042114222D 36 40 0 0 0 0 999 V2000 2.1521 -6.3494 0.0000 C 0 0 1.6844 -7.7746 0.0000 C 0 0 0.2163 -8.0822 0.0000 C 0 0 -0.7841 -6.9645 0.0000 C 0 0 -0.3164 -5.5393 0.0000 C 0 0 1.1517 -5.2317 0.0000 C 0 0 1.2941 -3.7520 0.0000 C 0 0 -0.0554 -3.1271 0.0000 O 0 0 -1.0624 -4.2389 0.0000 C 0 0 -2.2555 -4.1100 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 4.9336 -3.1588 0.0000 O 0 0 3.8912 -5.2578 0.0000 C 0 0 2.8509 -5.8560 0.0000 O 0 0 5.1894 -6.0109 0.0000 N 0 0 5.1873 -7.5117 0.0000 C 0 0 3.8856 -8.2573 0.0000 C 0 0 3.8804 -9.7573 0.0000 C 0 0 5.1769 -10.5118 0.0000 C 0 0 6.4785 -9.7663 0.0000 C 0 0 6.4837 -8.2663 0.0000 C 0 0 7.5250 -7.6699 0.0000 C 0 0 2.8391 -10.3537 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 11 24 1 0 12 13 2 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 16 23 1 0 17 18 1 0 17 20 1 0 18 19 2 0 20 21 2 0 21 22 1 0 22 23 2 0 24 25 2 0 24 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 34 2 0 30 31 2 0 31 32 1 0 31 36 1 0 32 33 2 0 33 34 1 0 34 35 1 0 M END > 640985 $$$$ SciTegic05042114222D 32 35 0 0 0 0 999 V2000 8.6659 1.5176 0.0000 C 0 0 7.6654 0.4000 0.0000 C 0 0 8.1330 -1.0253 0.0000 C 0 0 9.6012 -1.3329 0.0000 C 0 0 10.6017 -0.2153 0.0000 C 0 0 10.1341 1.2100 0.0000 C 0 0 5.6612 -1.8316 0.0000 C 0 0 5.2891 -0.6907 0.0000 O 0 0 4.6579 -2.9477 0.0000 C 0 0 5.0300 -4.0886 0.0000 O 0 0 3.1894 -2.6378 0.0000 C 0 0 2.1861 -3.7540 0.0000 C 0 0 2.5582 -4.8948 0.0000 O 0 0 0.7176 -3.4441 0.0000 C 0 0 0.2548 -2.0172 0.0000 C 0 0 -1.2123 -1.7045 0.0000 C 0 0 -2.2166 -2.8187 0.0000 C 0 0 -1.7539 -4.2455 0.0000 C 0 0 -0.2868 -4.5582 0.0000 C 0 0 0.0833 -5.6997 0.0000 F 0 0 9.9753 -2.4731 0.0000 C 0 0 7.1297 -2.1415 0.0000 N 0 0 2.7248 -1.2135 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 3.6065 0.0000 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.0955 2.3548 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 22 1 0 4 5 1 0 4 21 1 0 5 6 2 0 7 8 2 0 7 9 1 0 7 22 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 23 1 0 12 13 2 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 23 24 1 0 23 27 1 0 24 25 2 0 24 28 1 0 25 26 1 0 25 31 1 0 26 27 1 0 26 32 2 0 28 29 2 0 29 30 1 0 30 31 2 0 M END > 641228 $$$$ SciTegic05042114222D 41 46 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 O 0 0 -2.5981 2.7000 0.0000 O 0 0 -4.9364 1.3500 0.0000 Cl 0 0 -5.1932 -3.0039 0.0000 C 0 0 -6.4914 -3.7570 0.0000 C 0 0 -4.1529 -3.6021 0.0000 O 0 0 -6.4892 -5.2578 0.0000 C 0 0 -7.5317 -3.1588 0.0000 O 0 0 -7.7874 -6.0109 0.0000 C 0 0 -8.8277 -5.4128 0.0000 O 0 0 -7.7853 -7.5118 0.0000 C 0 0 -9.0817 -8.2663 0.0000 C 0 0 -9.0765 -9.7663 0.0000 C 0 0 -7.7749 -10.5118 0.0000 C 0 0 -6.4785 -9.7573 0.0000 C 0 0 -6.4837 -8.2574 0.0000 C 0 0 -7.7697 -12.0118 0.0000 C 0 0 -6.4681 -12.7573 0.0000 C 0 0 -5.1716 -12.0028 0.0000 C 0 0 -5.1768 -10.5028 0.0000 C 0 0 -5.1953 -1.5031 0.0000 N 0 0 -5.5785 -10.0285 0.0000 C 0 0 -4.1104 -10.3361 0.0000 C 0 0 -3.1100 -9.2184 0.0000 C 0 0 -3.5777 -7.7932 0.0000 C 0 0 -5.0458 -7.4856 0.0000 C 0 0 -6.0462 -8.6033 0.0000 C 0 0 -2.8317 -6.4928 0.0000 C 0 0 -3.8387 -5.3810 0.0000 O 0 0 -5.1882 -6.0060 0.0000 C 0 0 -1.6386 -6.3639 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 1 0 7 12 2 0 8 9 2 0 8 13 1 0 9 10 1 0 9 31 1 0 10 11 2 0 14 15 1 0 14 16 2 0 14 31 1 0 15 17 1 0 15 18 2 0 17 19 1 0 17 40 1 0 19 20 2 0 19 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 25 30 1 0 27 28 2 0 28 29 1 0 29 30 2 0 32 33 2 0 32 37 1 0 33 34 1 0 34 35 2 0 35 36 1 0 35 38 1 0 36 37 2 0 36 40 1 0 38 39 1 0 38 41 2 0 39 40 1 0 M END > 641233 $$$$ SciTegic05042114222D 37 40 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 1.0392 -3.6000 0.0000 O 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.2990 -4.9500 0.0000 O 0 0 -3.8994 -0.7523 0.0000 N 0 0 -5.1981 -1.5045 0.0000 C 0 0 -6.4998 -0.7591 0.0000 C 0 0 -7.7962 -1.5136 0.0000 C 0 0 -7.7910 -3.0136 0.0000 C 0 0 -6.4894 -3.7591 0.0000 C 0 0 -5.1929 -3.0046 0.0000 C 0 0 -6.5081 0.7417 0.0000 C 0 0 -5.4720 1.3471 0.0000 O 0 0 -7.8115 1.4857 0.0000 C 0 0 -7.8199 2.9865 0.0000 C 0 0 -6.7838 3.5920 0.0000 O 0 0 -9.1233 3.7305 0.0000 C 0 0 -10.1594 3.1251 0.0000 O 0 0 -9.1316 5.2313 0.0000 N 0 0 -10.4351 5.9753 0.0000 C 0 0 -11.7290 5.2163 0.0000 C 0 0 -13.0332 5.9573 0.0000 C 0 0 -13.0436 7.4572 0.0000 C 0 0 -11.7498 8.2163 0.0000 C 0 0 -10.4456 7.4753 0.0000 C 0 0 -9.1527 8.2375 0.0000 C 0 0 -8.1082 7.6466 0.0000 O 0 0 -9.1653 9.7382 0.0000 O 0 0 -8.1315 10.3476 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 12 2 0 10 11 2 0 11 13 1 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 18 19 2 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 28 33 2 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 M END > 641240 $$$$ SciTegic05042114222D 40 44 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 2.3383 -1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 2.7000 0.0000 Cl 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.5548 3.6021 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 4.9336 3.1588 0.0000 O 0 0 3.8912 5.2578 0.0000 C 0 0 5.1894 6.0109 0.0000 C 0 0 6.2296 5.4128 0.0000 O 0 0 5.1872 7.5118 0.0000 C 0 0 3.8856 8.2574 0.0000 C 0 0 3.8804 9.7573 0.0000 C 0 0 5.1768 10.5118 0.0000 C 0 0 6.4784 9.7663 0.0000 C 0 0 6.4836 8.2663 0.0000 C 0 0 7.7875 7.5232 0.0000 N 0 0 9.0836 8.2800 0.0000 C 0 0 10.3879 7.5391 0.0000 C 0 0 11.6817 8.2981 0.0000 C 0 0 11.6712 9.7981 0.0000 C 0 0 10.3670 10.5390 0.0000 C 0 0 9.0732 9.7800 0.0000 C 0 0 10.3962 6.3391 0.0000 O 0 0 12.7250 7.7053 0.0000 O 0 0 12.9650 10.5571 0.0000 C 0 0 12.9546 12.0570 0.0000 C 0 0 11.6504 12.7980 0.0000 C 0 0 10.3566 12.0390 0.0000 C 0 0 1 2 1 0 1 6 1 0 1 11 2 0 2 3 2 0 2 14 1 0 3 4 1 0 3 13 1 0 4 5 1 0 4 12 2 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 29 34 2 0 30 31 1 0 30 35 2 0 31 32 1 0 31 36 2 0 32 33 2 0 32 37 1 0 33 34 1 0 33 40 1 0 37 38 2 0 38 39 1 0 39 40 2 0 M END > 641245 $$$$ SciTegic05042114222D 35 38 0 0 0 0 999 V2000 1.2883 -5.2495 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 14.2895 -3.8174 0.0000 C 0 0 12.9957 -3.0584 0.0000 C 0 0 11.6914 -3.7993 0.0000 C 0 0 11.6810 -5.2993 0.0000 C 0 0 12.9748 -6.0583 0.0000 C 0 0 14.2790 -5.3173 0.0000 C 0 0 15.3328 -3.2246 0.0000 Cl 0 0 15.3141 -5.9246 0.0000 Cl 0 0 10.3953 -3.0425 0.0000 N 0 0 9.0914 -3.7857 0.0000 C 0 0 9.0852 -4.9857 0.0000 O 0 0 7.7954 -3.0289 0.0000 C 0 0 7.8017 -1.8289 0.0000 O 0 0 6.4915 -3.7721 0.0000 C 0 0 5.1954 -3.0153 0.0000 C 0 0 5.2017 -1.8153 0.0000 O 0 0 3.8915 -3.7585 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1 2 1 0 1 3 2 0 2 22 2 0 3 21 1 0 4 5 2 0 4 9 1 0 4 10 1 0 5 6 1 0 6 7 2 0 6 12 1 0 7 8 1 0 8 9 2 0 9 11 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 29 2 0 25 26 2 0 25 30 1 0 26 27 1 0 26 33 1 0 27 28 1 0 27 35 2 0 28 29 1 0 28 34 2 0 30 31 2 0 31 32 1 0 32 33 2 0 M END > 641250 $$$$ SciTegic05042114222D 34 37 0 0 0 0 999 V2000 1.2883 -5.2495 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 14.2895 -3.8174 0.0000 C 0 0 12.9957 -3.0584 0.0000 C 0 0 11.6914 -3.7993 0.0000 C 0 0 11.6810 -5.2993 0.0000 C 0 0 12.9748 -6.0583 0.0000 C 0 0 14.2790 -5.3173 0.0000 C 0 0 15.3141 -5.9246 0.0000 Cl 0 0 10.3953 -3.0425 0.0000 N 0 0 9.0914 -3.7857 0.0000 C 0 0 9.0852 -4.9857 0.0000 O 0 0 7.7954 -3.0289 0.0000 C 0 0 7.8017 -1.8289 0.0000 O 0 0 6.4915 -3.7721 0.0000 C 0 0 5.1954 -3.0153 0.0000 C 0 0 5.2017 -1.8153 0.0000 O 0 0 3.8915 -3.7585 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 2.5981 3.0000 0.0000 C 0 0 1.2990 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 1 2 1 0 1 3 2 0 2 21 2 0 3 20 1 0 4 5 2 0 4 9 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 28 2 0 24 25 2 0 24 29 1 0 25 26 1 0 25 32 1 0 26 27 1 0 26 34 2 0 27 28 1 0 27 33 2 0 29 30 2 0 30 31 1 0 31 32 2 0 M END > 641253 $$$$ SciTegic05042114222D 30 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -2.4032 -4.1625 0.0000 O 0 0 -2.4133 -1.7530 0.0000 O 0 0 0.6898 -4.0810 0.0000 C 0 0 0.2239 -5.5077 0.0000 C 0 0 -1.2431 -5.8205 0.0000 C 0 0 -1.7058 -7.2474 0.0000 C 0 0 -0.7015 -8.3615 0.0000 C 0 0 0.7656 -8.0488 0.0000 C 0 0 1.2283 -6.6219 0.0000 C 0 0 -1.1615 -9.7901 0.0000 O 0 0 -0.3568 -10.6803 0.0000 C 0 0 2.1581 -3.7702 0.0000 C 0 0 3.1587 -4.8887 0.0000 N 0 0 2.6239 -2.3435 0.0000 C 0 0 4.0910 -2.0307 0.0000 C 0 0 1.6196 -1.2292 0.0000 C 0 0 2.0823 0.1976 0.0000 C 0 0 3.5493 0.5103 0.0000 C 0 0 4.5537 -0.6038 0.0000 C 0 0 4.0152 1.9370 0.0000 O 0 0 5.1892 2.1855 0.0000 C 0 0 2.7850 -6.0290 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 1 0 7 11 1 0 8 9 2 0 8 10 1 0 11 12 1 0 11 20 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 18 1 0 16 17 2 0 18 19 1 0 20 21 2 0 20 22 1 0 21 30 1 0 22 23 2 0 22 24 1 0 23 27 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 M END > 641607 $$$$ SciTegic05042114222D 35 37 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 N 0 0 1.2990 -3.7500 0.0000 C 0 0 2.5981 -3.0000 0.0000 C 0 0 2.5981 -1.5000 0.0000 N 0 0 2.6030 -5.9994 0.0000 C 0 0 3.9030 -5.2494 0.0000 N 0 0 5.2029 -5.9994 0.0000 N 0 0 6.5029 -5.2494 0.0000 C 0 0 7.5424 -5.8490 0.0000 O 0 0 6.5029 -4.0494 0.0000 N 0 0 2.6061 -7.5002 0.0000 C 0 0 1.5679 -8.1020 0.0000 O 0 0 3.9069 -8.2488 0.0000 N 0 0 3.9100 -9.7496 0.0000 C 0 0 5.2090 -10.4996 0.0000 C 0 0 5.2090 -11.9996 0.0000 C 0 0 3.9100 -12.7497 0.0000 C 0 0 2.6110 -11.9997 0.0000 C 0 0 2.6109 -10.4997 0.0000 C 0 0 1.3021 -5.2508 0.0000 C 0 0 0.0052 -6.0062 0.0000 C 0 0 -1.0361 -5.4098 0.0000 O 0 0 -1.0269 -8.1109 0.0000 C 0 0 0.0100 -7.5070 0.0000 O 0 0 6.5103 -9.7519 0.0000 C 0 0 7.5487 -10.3534 0.0000 C 0 0 6.5124 -8.5519 0.0000 C 0 0 1.3096 -9.7521 0.0000 C 0 0 0.2712 -10.3536 0.0000 C 0 0 1 2 1 0 1 6 2 0 1 10 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 26 1 0 9 10 2 0 11 12 2 0 11 26 1 0 11 17 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 21 31 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 34 1 0 26 27 1 0 27 28 2 0 27 30 1 0 29 30 1 0 31 32 1 0 31 33 1 0 34 35 1 0 M END > 642033 $$$$ SciTegic05042114222D 39 42 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 N 0 0 -1.2991 4.9500 0.0000 O 0 0 -3.8994 3.7477 0.0000 C 0 0 -3.9051 5.2486 0.0000 C 0 0 -2.8680 5.8522 0.0000 O 0 0 -5.2072 5.9948 0.0000 C 0 0 -6.2444 5.3912 0.0000 O 0 0 -5.2129 7.4957 0.0000 O 0 0 -6.2541 8.0924 0.0000 C 0 0 -5.1981 2.9955 0.0000 C 0 0 -5.1960 1.7955 0.0000 O 0 0 -6.4994 3.7432 0.0000 C 0 0 -6.5015 4.9432 0.0000 O 0 0 -7.7981 2.9909 0.0000 N 0 0 -9.0993 3.7386 0.0000 C 0 0 -10.3984 2.9887 0.0000 C 0 0 -11.6975 3.7386 0.0000 C 0 0 -11.6975 5.2386 0.0000 C 0 0 -10.3985 5.9887 0.0000 C 0 0 -9.0995 5.2387 0.0000 C 0 0 -10.3986 7.1887 0.0000 C 0 0 -10.3984 1.7887 0.0000 C 0 0 1 2 1 0 1 6 2 0 1 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 14 2 0 10 11 2 0 11 12 1 0 11 18 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 2 0 16 17 1 0 16 20 1 0 17 18 2 0 17 19 1 0 20 21 1 0 20 27 1 0 21 22 2 0 21 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 27 28 2 0 27 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 32 37 2 0 33 34 2 0 33 39 1 0 34 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 M END > 642040 $$$$ SciTegic05042114222D 29 30 0 0 0 0 999 V2000 5.9293 -9.8007 0.0000 N 0 0 4.4293 -9.7955 0.0000 C 0 0 3.9707 -8.3673 0.0000 S 0 0 5.1873 -7.5117 0.0000 C 0 0 6.3978 -8.3758 0.0000 C 0 0 3.5419 -11.0027 0.0000 C 0 0 2.3491 -10.8714 0.0000 S 0 0 4.0243 -12.1015 0.0000 N 0 0 7.5381 -8.0021 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 6.2297 -5.4127 0.0000 O 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 4.9336 -3.1588 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 C 0 0 3.6375 0.9049 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.0432 -3.5994 0.0000 C 0 0 1.0351 -3.6026 0.0000 C 0 0 1 2 2 0 1 5 1 0 2 3 1 0 2 6 1 0 3 4 1 0 4 5 2 0 4 10 1 0 5 9 1 0 6 7 2 0 6 8 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 19 24 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 27 1 0 24 25 1 0 24 26 1 0 27 28 1 0 27 29 1 0 M END > 642048 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 Cl 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 N 0 0 -1.2991 4.9500 0.0000 O 0 0 -3.8994 3.7477 0.0000 C 0 0 -3.9015 4.9477 0.0000 O 0 0 -5.1981 2.9955 0.0000 C 0 0 -5.1960 1.7955 0.0000 O 0 0 -6.4994 3.7432 0.0000 C 0 0 -7.7985 2.9932 0.0000 C 0 0 -9.0975 3.7432 0.0000 C 0 0 -9.0976 5.2432 0.0000 C 0 0 -7.7985 5.9932 0.0000 C 0 0 -6.4995 5.2433 0.0000 C 0 0 -10.5233 5.7067 0.0000 O 0 0 -11.4050 4.4931 0.0000 C 0 0 -10.5232 3.2796 0.0000 O 0 0 1 2 1 0 2 3 1 0 2 7 2 0 3 4 2 0 4 5 1 0 4 11 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 2 0 9 10 1 0 9 13 1 0 10 11 2 0 10 12 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 22 2 0 18 19 2 0 19 20 1 0 19 25 1 0 20 21 2 0 20 23 1 0 21 22 1 0 23 24 1 0 24 25 1 0 M END > 642649 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 1.2883 -5.2495 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2408 2.0910 0.0000 N 0 0 -3.8964 -0.7554 0.0000 C 0 0 -3.8943 -1.9554 0.0000 N 0 0 1 2 1 0 1 6 2 0 1 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 14 1 0 5 6 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 14 15 2 0 15 16 1 0 15 18 1 0 16 17 3 0 18 19 3 0 M END > 643028 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.2408 2.0910 0.0000 N 0 0 -3.8964 -0.7554 0.0000 C 0 0 -3.8943 -1.9554 0.0000 N 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 7 1 0 3 4 1 0 4 5 2 0 4 14 1 0 5 6 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 14 15 2 0 15 16 1 0 15 18 1 0 16 17 3 0 18 19 3 0 M END > 643031 $$$$ SciTegic05042114222D 32 36 0 0 0 0 999 V2000 7.3442 -3.9073 0.0000 C 0 0 8.0987 -2.6109 0.0000 C 0 0 7.3533 -1.3092 0.0000 C 0 0 5.8532 -1.3039 0.0000 C 0 0 5.0988 -2.6004 0.0000 C 0 0 5.8442 -3.9021 0.0000 C 0 0 8.0875 -5.2112 0.0000 N 0 3 9.2874 -5.2175 0.0000 O 0 5 7.4824 -6.2475 0.0000 O 0 0 2.7248 1.2135 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.0955 -2.3548 0.0000 O 0 0 3.0955 2.3548 0.0000 O 0 0 5.1047 -0.0031 0.0000 C 0 0 5.8574 1.2953 0.0000 C 0 0 5.2405 2.6486 0.0000 C 0 0 4.0661 2.8949 0.0000 O 0 0 7.3386 1.4286 0.0000 C 0 0 7.6547 2.8941 0.0000 C 0 0 6.3580 3.6481 0.0000 C 0 0 8.1336 0.5296 0.0000 O 0 0 8.9560 3.6400 0.0000 C 0 0 8.9607 5.1400 0.0000 C 0 0 7.6640 5.8941 0.0000 C 0 0 6.3626 5.1481 0.0000 C 0 0 1 2 1 0 1 6 2 0 1 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 21 1 0 5 6 1 0 7 8 1 0 7 9 2 0 10 11 1 0 10 14 1 0 10 20 2 0 11 12 1 0 11 21 1 0 12 13 1 0 12 19 2 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 21 22 1 0 22 23 1 0 22 25 1 0 23 24 2 0 23 27 1 0 25 26 1 0 25 28 2 0 26 27 2 0 26 29 1 0 27 32 1 0 29 30 2 0 30 31 1 0 31 32 2 0 M CHG 2 7 1 8 -1 M END > 643148 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.3092 -5.2494 0.0000 C 0 0 2.6108 -5.9949 0.0000 C 0 0 3.9073 -5.2404 0.0000 C 0 0 3.9021 -3.7404 0.0000 C 0 0 2.6004 -2.9949 0.0000 C 0 0 1.3039 -3.7494 0.0000 C 0 0 0.0031 -3.0008 0.0000 C 0 0 2.6150 -7.1949 0.0000 Br 0 0 5.2111 -5.9837 0.0000 N 0 0 6.2474 -5.3786 0.0000 C 0 0 5.2174 -7.1836 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 8 1 0 3 4 2 0 3 9 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 22 2 0 9 10 1 0 9 11 1 0 12 13 1 0 12 22 1 0 13 14 1 0 14 15 2 0 14 18 1 0 15 16 1 0 15 21 1 0 16 17 2 0 16 22 1 0 18 19 2 0 19 20 1 0 20 21 2 0 M END > 643162 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 2.5427 7.0228 0.0000 C 0 0 1.7882 8.3192 0.0000 C 0 0 0.2882 8.3139 0.0000 C 0 0 -0.4572 7.0123 0.0000 C 0 0 0.2973 5.7159 0.0000 C 0 0 1.7973 5.7210 0.0000 C 0 0 2.5496 4.4224 0.0000 C 0 0 1.8032 3.1233 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.3846 9.3605 0.0000 Br 0 0 -0.4694 9.6095 0.0000 N 0 0 -1.6694 9.6036 0.0000 C 0 0 0.1252 10.6519 0.0000 C 0 0 2.4133 1.7530 0.0000 C 0 0 3.5871 1.5034 0.0000 O 0 0 0.3114 2.9665 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 15 1 0 3 4 2 0 3 16 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 19 1 0 8 21 1 0 9 10 2 0 9 11 1 0 10 14 1 0 10 19 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 21 1 0 16 17 1 0 16 18 1 0 19 20 2 0 M END > 643163 $$$$ SciTegic05042114222D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -2.6131 -7.4988 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -3.9147 -8.2443 0.0000 C 0 0 -5.2111 -7.4898 0.0000 C 0 0 -5.2060 -5.9898 0.0000 C 0 0 -3.9043 -5.2443 0.0000 C 0 0 2.3383 1.3500 0.0000 Br 0 0 -0.0031 3.0008 0.0000 N 0 0 -1.0432 3.5993 0.0000 C 0 0 1.0351 3.6026 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.2688 -5.8520 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 15 1 0 3 4 2 0 3 16 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 19 1 0 9 10 2 0 9 11 1 0 10 14 1 0 10 19 1 0 11 12 2 0 12 13 1 0 13 14 2 0 16 17 1 0 16 18 1 0 19 20 2 0 M END > 643164 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 5.8442 3.9021 0.0000 C 0 0 7.3442 3.9074 0.0000 C 0 0 8.0987 2.6109 0.0000 C 0 0 7.3533 1.3093 0.0000 C 0 0 5.8532 1.3040 0.0000 C 0 0 5.0987 2.6005 0.0000 C 0 0 5.0866 5.1977 0.0000 O 0 0 3.8866 5.1918 0.0000 C 0 0 8.0928 5.2082 0.0000 O 0 0 9.2928 5.2106 0.0000 C 0 0 5.1047 0.0031 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 3.0955 -2.3548 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 9 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 11 1 0 7 8 1 0 9 10 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 1 0 13 17 2 0 14 15 2 0 14 21 1 0 15 16 1 0 15 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 M END > 643174 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.2883 -5.2495 0.0000 C 0 0 2.5847 -6.0040 0.0000 C 0 0 3.8864 -5.2585 0.0000 C 0 0 3.8915 -3.7585 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2935 -3.7495 0.0000 C 0 0 -0.0156 -5.9927 0.0000 O 0 0 -1.0519 -5.3877 0.0000 C 0 0 2.5826 -7.5048 0.0000 O 0 0 3.6207 -8.1069 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 9 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 11 1 0 7 8 1 0 9 10 1 0 11 12 2 0 12 13 1 0 12 22 1 0 13 14 2 0 13 15 1 0 15 16 2 0 15 17 1 0 16 20 1 0 16 21 1 0 17 18 2 0 18 19 1 0 19 20 2 0 21 22 1 0 M END > 643175 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -1.3021 -5.2508 0.0000 C 0 0 -2.6029 -5.9994 0.0000 C 0 0 -2.6060 -7.5002 0.0000 C 0 0 -1.5678 -8.1020 0.0000 O 0 0 -3.9068 -8.2488 0.0000 C 0 0 -3.9121 -9.7488 0.0000 C 0 0 -5.2137 -10.4943 0.0000 C 0 0 -6.5102 -9.7398 0.0000 C 0 0 -6.5050 -8.2398 0.0000 C 0 0 -5.2034 -7.4943 0.0000 C 0 0 -3.9014 -5.2467 0.0000 C 0 0 -4.9396 -4.6449 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 11 12 2 0 12 13 1 0 12 21 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 20 2 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 3 0 M END > 643186 $$$$ SciTegic05042114222D 29 32 0 0 0 0 999 V2000 7.6368 -3.3708 0.0000 N 0 0 8.6928 -2.3055 0.0000 C 0 0 8.0318 -4.8178 0.0000 C 0 0 6.1851 -2.9896 0.0000 C 0 0 5.1276 -4.0534 0.0000 C 0 0 3.6776 -3.6695 0.0000 C 0 0 3.2850 -2.2217 0.0000 C 0 0 4.3426 -1.1579 0.0000 C 0 0 5.7926 -1.5419 0.0000 C 0 0 1.8349 -1.8346 0.0000 C 0 0 1.4442 -0.3856 0.0000 C 0 0 0.0000 0.0000 0.0000 C 0 0 -0.7519 1.2933 0.0000 O 0 0 -1.2933 -0.7519 0.0000 O 0 5 -11.7373 4.4796 0.0000 N 0 0 -12.7949 3.4159 0.0000 C 0 0 -12.1303 5.9273 0.0000 C 0 0 -10.2863 4.0964 0.0000 C 0 0 -9.2272 5.1587 0.0000 C 0 0 -7.7777 4.7726 0.0000 C 0 0 -7.3872 3.3243 0.0000 C 0 0 -8.4464 2.2621 0.0000 C 0 0 -9.8958 2.6481 0.0000 C 0 0 -5.9377 2.9351 0.0000 C 0 0 -5.5491 1.4855 0.0000 C 0 0 -4.1056 1.0978 0.0000 C 0 0 -3.3537 -0.1955 0.0000 O 0 0 -2.7972 1.8498 0.0000 O 0 5 -2.0453 0.5414 0.0000 Cu 0 2 1 2 1 0 1 3 1 0 1 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 13 29 1 0 14 29 1 0 15 16 1 0 15 17 1 0 15 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 21 24 1 0 22 23 2 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 27 29 1 0 28 29 1 0 M CHG 3 14 -1 28 -1 29 2 M END > 643351 $$$$ SciTegic05042114222D 31 33 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.6003 -1.4977 0.0000 C 0 0 3.8990 -0.7455 0.0000 N 0 0 3.8978 0.7554 0.0000 C 0 0 5.1947 1.5091 0.0000 C 0 0 5.1905 3.0091 0.0000 C 0 0 3.8893 3.7554 0.0000 C 0 0 2.5924 3.0018 0.0000 C 0 0 2.5967 1.5018 0.0000 C 0 0 3.8820 5.2562 0.0000 O 0 0 2.8402 5.8518 0.0000 C 0 0 -2.5988 1.5006 0.0000 N 0 0 -3.8969 0.7474 0.0000 C 0 0 -3.8946 -0.7535 0.0000 C 0 0 -5.1927 -1.5067 0.0000 C 0 0 -6.2306 -2.1090 0.0000 N 0 0 -2.5994 3.0015 0.0000 S 0 0 -1.5600 2.4017 0.0000 O 0 0 -1.5602 3.6016 0.0000 O 0 0 -3.8990 3.7521 0.0000 C 0 0 -5.1982 3.0023 0.0000 C 0 0 -6.4971 3.7526 0.0000 C 0 0 -6.4968 5.2526 0.0000 C 0 0 -5.1976 6.0023 0.0000 C 0 0 -3.8987 5.2521 0.0000 C 0 0 0.0000 -2.7000 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 17 1 0 5 6 2 0 6 31 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 14 2 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 1 0 17 18 1 0 17 22 1 0 18 19 1 0 19 20 1 0 20 21 3 0 22 23 2 0 22 24 2 0 22 25 1 0 25 26 2 0 25 30 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 M END > 643599 $$$$ SciTegic05042114222D 21 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -2.6023 2.9967 0.0000 N 0 0 -3.9043 3.7435 0.0000 C 0 0 -3.9084 4.9435 0.0000 C 0 0 -2.5973 1.4959 0.0000 C 0 0 -1.5564 0.8988 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -0.2688 5.8520 0.0000 O 0 0 -2.6078 5.9988 0.0000 O 0 0 -2.6109 7.4996 0.0000 C 0 0 -3.6510 8.0981 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -1.0432 -3.5994 0.0000 C 0 0 1.0351 -3.6026 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 3 7 1 0 4 5 2 0 5 6 1 0 6 19 1 0 7 8 2 0 8 9 1 0 8 14 1 0 9 10 1 0 9 12 1 0 10 11 1 0 12 13 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 19 20 1 0 19 21 1 0 M END > 643774 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 643834 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.3002 3.7488 0.0000 N 0 0 -1.3026 5.2488 0.0000 C 0 0 -2.3428 5.8472 0.0000 S 0 0 -0.0048 6.0009 0.0000 N 0 0 1.2954 5.2529 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 2.3337 5.8546 0.0000 C 0 0 2.6004 3.0073 0.0000 C 0 0 2.6044 1.8073 0.0000 O 0 0 3.8978 3.7617 0.0000 O 0 0 5.2003 3.0161 0.0000 C 0 0 6.2377 3.6193 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 2 1 0 1 19 2 0 2 3 2 0 3 5 1 0 3 4 1 0 4 18 2 0 5 6 1 0 5 11 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 M END > 643910 $$$$ SciTegic05042114222D 29 31 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 N 0 3 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 N 0 0 -1.2960 5.2508 0.0000 C 0 0 -2.5929 6.0062 0.0000 N 0 3 -3.6342 5.4098 0.0000 O 0 5 -2.5891 7.2062 0.0000 O 0 0 0.0048 5.9994 0.0000 C 0 0 1.0430 5.3976 0.0000 O 0 0 0.0079 7.5002 0.0000 C 0 0 -1.0303 8.1020 0.0000 O 0 0 1.3087 8.2488 0.0000 N 0 0 1.3118 9.7496 0.0000 C 0 0 0.0128 10.4997 0.0000 C 0 0 0.0128 11.9997 0.0000 C 0 0 1.3119 12.7497 0.0000 C 0 0 2.6109 11.9997 0.0000 C 0 0 2.6108 10.4997 0.0000 C 0 0 3.6501 9.8997 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 5 2.5956 -2.7031 0.0000 O 0 0 1 2 1 0 1 28 1 0 1 29 2 0 2 3 2 0 2 7 1 0 3 4 1 0 4 5 2 0 4 11 1 0 5 6 1 0 5 8 1 0 6 7 2 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 16 1 0 13 14 1 0 13 15 2 0 16 17 2 0 16 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 21 26 2 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 M CHG 4 1 1 13 1 14 -1 28 -1 M END > 644735 $$$$ SciTegic05042114222D 36 39 0 0 0 0 999 V2000 2.7248 -1.2135 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 3.6065 0.0000 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.0955 2.3548 0.0000 O 0 0 3.1894 -2.6378 0.0000 C 0 0 4.6579 -2.9477 0.0000 C 0 0 5.0300 -4.0886 0.0000 O 0 0 5.6612 -1.8316 0.0000 C 0 0 7.1294 -2.1391 0.0000 C 0 0 5.1936 -0.4062 0.0000 C 0 0 6.1941 0.7114 0.0000 C 0 0 7.6622 0.4037 0.0000 C 0 0 8.1299 -1.0216 0.0000 C 0 0 2.1861 -3.7540 0.0000 C 0 0 2.5582 -4.8948 0.0000 O 0 0 0.7176 -3.4441 0.0000 C 0 0 0.3455 -2.3033 0.0000 O 0 0 -0.2857 -4.5603 0.0000 N 0 0 -1.7542 -4.2504 0.0000 C 0 0 -2.7586 -5.3645 0.0000 C 0 0 -2.2170 -2.8235 0.0000 C 0 0 -3.6841 -2.5108 0.0000 C 0 0 -4.6884 -3.6249 0.0000 C 0 0 -4.2257 -5.0518 0.0000 C 0 0 8.4626 1.2978 0.0000 Cl 0 0 9.3043 -1.2677 0.0000 Cl 0 0 -5.2306 -6.1665 0.0000 C 0 0 -4.8611 -7.3083 0.0000 F 0 0 -6.4041 -5.9160 0.0000 F 0 0 -6.0345 -7.0575 0.0000 F 0 0 1 2 1 0 1 5 1 0 1 11 1 0 2 3 2 0 2 6 1 0 3 4 1 0 3 9 1 0 4 5 1 0 4 10 2 0 6 7 2 0 7 8 1 0 8 9 2 0 11 12 1 0 11 20 1 0 12 13 2 0 12 14 1 0 14 15 2 0 14 16 1 0 15 19 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 31 1 0 19 32 1 0 20 21 2 0 20 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 26 30 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 M END > 644794 $$$$ SciTegic05042114222D 25 28 0 0 0 0 999 V2000 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 4.9531 -1.9978 0.0000 N 0 0 4.2010 -3.2956 0.0000 N 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1.6115 -3.9772 0.0000 C 0 0 0.1606 -3.6178 0.0000 N 0 0 -0.8791 -4.6991 0.0000 C 0 0 -0.4625 -6.1401 0.0000 C 0 0 2.0333 -5.4186 0.0000 N 0 0 4.2568 0.5878 0.0000 C 0 0 3.2235 1.6679 0.0000 C 0 0 3.6446 3.1076 0.0000 C 0 0 5.1020 3.4627 0.0000 C 0 0 5.4389 4.6145 0.0000 Cl 0 0 6.1382 2.3782 0.0000 C 0 0 5.7171 0.9385 0.0000 C 0 0 0.9937 -6.4998 0.0000 C 0 0 1 2 1 0 1 5 2 0 1 6 1 0 2 3 1 0 2 18 1 0 3 4 2 0 4 5 1 0 5 13 1 0 6 7 2 0 6 10 1 0 7 11 1 0 8 9 1 0 8 11 2 0 8 12 1 0 9 10 2 0 13 14 1 0 13 17 2 0 14 15 1 0 15 16 1 0 16 25 1 0 17 25 1 0 18 19 2 0 18 24 1 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 M END > 645033 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 645567 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 8.6680 -4.7367 0.0000 C 0 0 7.7740 -3.9362 0.0000 N 0 0 8.0206 -2.7618 0.0000 C 0 0 6.3477 -4.4031 0.0000 C 0 0 6.1011 -5.5775 0.0000 S 0 0 5.2295 -3.4020 0.0000 N 0 0 3.8056 -3.8679 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 1.3786 -3.8595 0.0000 C 0 0 1.8372 -5.2877 0.0000 S 0 0 3.3372 -5.2929 0.0000 S 0 0 0.2409 -3.4780 0.0000 S 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 8 13 1 0 9 10 1 0 9 12 2 0 10 11 1 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 M END > 645617 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0008 0.0000 N 0 0 1.2121 3.8625 0.0000 C 0 0 0.7463 5.2884 0.0000 C 0 0 -0.7537 5.2860 0.0000 C 0 0 -1.2149 3.8587 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0008 0.0000 N 0 0 -1.2122 -3.8625 0.0000 C 0 0 -0.7464 -5.2884 0.0000 C 0 0 0.7536 -5.2860 0.0000 C 0 0 1.2149 -3.8587 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 13 1 0 3 4 1 0 4 5 1 0 4 10 2 0 5 6 1 0 5 9 1 0 6 7 2 0 7 8 1 0 8 9 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 17 18 2 0 M END > 645987 $$$$ SciTegic05042114222D 21 22 0 0 0 0 999 V2000 5.1894 -6.0109 0.0000 C 0 0 6.5408 -5.3899 0.0000 C 0 0 7.5445 -6.5046 0.0000 C 0 0 6.7945 -7.8036 0.0000 C 0 0 5.3273 -7.4917 0.0000 C 0 0 4.2062 -8.4856 0.0000 C 0 0 3.3083 -9.2817 0.0000 N 0 0 3.8912 -5.2578 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1959 -3.0115 0.0000 O 0 0 6.4933 -3.7660 0.0000 C 0 0 7.5348 -3.1700 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 C 0 0 2.5973 -1.5031 0.0000 Se 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 2 1 0 1 5 2 0 1 8 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 3 0 8 9 1 0 9 10 1 0 9 13 1 0 10 11 1 0 11 12 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 M END > 646189 $$$$ SciTegic05042114222D 20 20 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.2925 -3.7494 0.0000 C 0 0 0.2552 -3.1461 0.0000 C 0 0 2.5973 -1.5031 0.0000 Se 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 3 3.6375 0.9049 0.0000 O 0 5 2.5955 2.7031 0.0000 O 0 0 3.8912 -5.2578 0.0000 O 0 0 5.1894 -6.0109 0.0000 C 0 0 5.1959 -3.0115 0.0000 O 0 0 6.4933 -3.7660 0.0000 C 0 0 7.5348 -3.1700 0.0000 C 0 0 5.1877 -7.2109 0.0000 C 0 0 1 2 1 0 1 15 1 0 1 17 1 0 2 3 1 0 2 5 1 0 3 4 1 0 5 6 1 0 6 7 1 0 6 11 2 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 12 13 1 0 12 14 2 0 15 16 1 0 16 20 1 0 17 18 1 0 18 19 1 0 M CHG 2 12 1 13 -1 M END > 646200 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.7248 1.2135 0.0000 O 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 -1.2135 0.0000 O 0 0 -2.5972 -1.5031 0.0000 C 0 0 -3.8999 -0.7576 0.0000 O 0 0 -5.1972 -1.5122 0.0000 C 0 0 -6.2387 -0.9161 0.0000 O 0 0 -5.1930 -2.7121 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 -3.8934 -5.2570 0.0000 C 0 0 -5.1925 -3.0071 0.0000 C 0 0 -6.4915 -3.7571 0.0000 C 0 0 -6.4914 -5.2571 0.0000 C 0 0 -5.1924 -6.0071 0.0000 C 0 0 -5.1893 -7.5079 0.0000 O 0 0 -4.1492 -8.1064 0.0000 C 0 0 -7.7896 -6.0102 0.0000 O 0 0 -7.7897 -3.0041 0.0000 O 0 0 -7.7880 -1.8041 0.0000 C 0 0 -7.7879 -7.2102 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 9 1 0 2 3 1 0 2 7 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 7 8 1 0 8 9 1 0 10 11 1 0 10 15 2 0 11 12 1 0 12 14 1 0 12 13 2 0 15 16 1 0 16 17 2 0 16 18 1 0 17 21 1 0 18 19 2 0 19 20 1 0 19 25 1 0 20 21 2 0 20 24 1 0 21 22 1 0 22 23 1 0 24 27 1 0 25 26 1 0 M END > 647363 $$$$ SciTegic05042114222D 31 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 O 0 0 1.0392 -3.6000 0.0000 O 0 0 -1.3021 -5.2508 0.0000 C 0 0 -0.0037 -6.0035 0.0000 C 0 0 -0.0042 -7.5036 0.0000 C 0 0 1.2946 -8.2540 0.0000 C 0 0 2.5939 -7.5045 0.0000 C 0 0 2.5945 -6.0045 0.0000 C 0 0 1.2957 -5.2540 0.0000 C 0 0 -2.6029 -5.9994 0.0000 C 0 0 -2.6060 -7.5002 0.0000 C 0 0 -3.9121 -9.7488 0.0000 C 0 0 -3.9068 -8.2488 0.0000 N 0 0 -5.2034 -7.4943 0.0000 C 0 0 -6.5050 -8.2398 0.0000 C 0 0 -6.5102 -9.7398 0.0000 C 0 0 -5.2137 -10.4943 0.0000 C 0 0 -3.9029 -5.2494 0.0000 C 0 0 -5.2029 -5.9994 0.0000 N 0 0 -6.5029 -5.2494 0.0000 N 0 0 -7.5423 -5.8491 0.0000 C 0 0 -3.9029 -4.0494 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 8 12 1 0 9 10 1 0 12 13 1 0 12 19 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 19 20 1 0 19 27 1 0 20 22 1 0 21 22 1 0 21 26 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 27 28 2 0 27 31 1 0 28 29 1 0 29 30 1 0 M END > 647418 $$$$ SciTegic05042114222D 27 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 C 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 O 0 0 -4.8065 0.0000 0.0000 O 0 0 -3.1905 2.6376 0.0000 C 0 0 -4.6589 2.9478 0.0000 C 0 0 -5.6613 1.8309 0.0000 C 0 0 -7.1296 2.1384 0.0000 C 0 0 -8.1300 1.0208 0.0000 C 0 0 -7.6623 -0.4045 0.0000 C 0 0 -6.1942 -0.7120 0.0000 C 0 0 -5.1937 0.4056 0.0000 C 0 0 -5.1253 4.3743 0.0000 N 0 0 -4.1239 5.4921 0.0000 N 0 0 -4.5904 6.9186 0.0000 C 0 0 -3.5911 8.0373 0.0000 C 0 0 -4.0602 9.4621 0.0000 C 0 0 -5.5286 9.7682 0.0000 C 0 0 -6.5279 8.6496 0.0000 C 0 0 -6.0588 7.2248 0.0000 C 0 0 -7.5037 3.2786 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 9 1 0 7 8 1 0 7 11 1 0 8 9 1 0 8 10 2 0 11 12 1 0 12 13 1 0 12 19 2 0 13 14 2 0 13 18 1 0 14 15 1 0 14 27 1 0 15 16 2 0 16 17 1 0 17 18 2 0 19 20 1 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > 647613 $$$$ SciTegic05042114222D 30 33 0 0 0 0 999 V2000 6.4915 -3.7571 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 7.7897 -3.0040 0.0000 O 0 0 7.7880 -1.8040 0.0000 C 0 0 7.7897 -6.0102 0.0000 O 0 0 5.1893 -7.5079 0.0000 O 0 0 4.1492 -8.1064 0.0000 C 0 0 7.7879 -7.2102 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 -2.7248 -1.2135 0.0000 O 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 1.2135 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 9 1 0 3 4 2 0 3 10 1 0 4 5 1 0 5 6 2 0 5 13 1 0 7 8 1 0 9 12 1 0 10 11 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 16 18 1 0 17 21 1 0 17 22 1 0 18 19 2 0 19 20 1 0 19 28 1 0 20 21 2 0 20 30 1 0 22 23 2 0 22 24 1 0 23 27 1 0 24 25 2 0 25 26 1 0 26 27 2 0 28 29 1 0 29 30 1 0 M END > 648419 $$$$ SciTegic05042114222D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.7248 1.2135 0.0000 O 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 -1.2135 0.0000 O 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.6375 -0.9049 0.0000 C 0 0 -3.8933 -3.7570 0.0000 C 0 0 -3.8934 -5.2570 0.0000 C 0 0 -5.1925 -3.0071 0.0000 C 0 0 -6.4915 -3.7571 0.0000 C 0 0 -5.1924 -6.0071 0.0000 C 0 0 -6.4914 -5.2571 0.0000 C 0 0 -5.1893 -7.5079 0.0000 O 0 0 -4.1492 -8.1064 0.0000 C 0 0 -7.7896 -6.0102 0.0000 O 0 0 -7.7879 -7.2102 0.0000 C 0 0 -7.7897 -3.0041 0.0000 O 0 0 -7.7880 -1.8041 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 9 1 0 2 3 1 0 2 7 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 14 17 1 0 15 16 2 0 16 18 1 0 16 23 1 0 17 18 2 0 17 19 1 0 18 21 1 0 19 20 1 0 21 22 1 0 23 24 1 0 M END > 648422 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 -2.7000 0.0000 O 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.3229 1.2135 0.0000 N 0 0 -6.2045 0.0000 0.0000 C 0 0 -5.3229 -1.2135 0.0000 O 0 0 -2.6012 3.0008 0.0000 N 0 0 -1.3035 3.7547 0.0000 C 0 0 -1.3044 5.2548 0.0000 C 0 0 -0.0058 6.0056 0.0000 C 0 0 1.2937 5.2565 0.0000 C 0 0 1.2947 3.7565 0.0000 C 0 0 -0.0038 3.0056 0.0000 C 0 0 -7.4045 0.0000 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 11 1 0 7 9 1 0 7 15 2 0 8 11 2 0 9 10 2 0 9 12 1 0 10 11 1 0 10 14 1 0 12 13 2 0 13 14 1 0 13 22 1 0 15 16 1 0 16 17 1 0 16 21 2 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > 650573 $$$$ SciTegic05042114222D 25 26 0 0 0 0 999 V2000 2.6807 2.4138 0.0000 N 0 0 1.4672 3.2954 0.0000 C 0 0 0.0000 3.6073 0.0000 C 0 0 -1.4672 3.2954 0.0000 S 0 0 3.4307 1.1147 0.0000 C 0 0 3.5875 -0.3771 0.0000 C 0 0 3.1240 -1.8036 0.0000 S 0 0 2.1203 -2.9184 0.0000 C 0 0 0.7500 -3.5285 0.0000 C 0 0 -2.6808 2.4137 0.0000 C 0 0 -3.4308 1.1147 0.0000 C 0 0 -3.5875 -0.3771 0.0000 S 0 0 -3.1240 -1.8037 0.0000 C 0 0 -2.1203 -2.9184 0.0000 C 0 0 -0.7500 -3.5285 0.0000 S 0 0 3.8025 3.4238 0.0000 S 0 0 1.7541 6.8238 0.0000 C 0 0 2.0651 5.3564 0.0000 C 0 0 3.4914 4.8920 0.0000 C 0 0 4.6067 5.8950 0.0000 C 0 0 4.2958 7.3624 0.0000 C 0 0 2.8695 7.8268 0.0000 C 0 0 2.6208 9.0008 0.0000 C 0 0 4.0518 2.2499 0.0000 O 0 0 4.9436 3.0526 0.0000 O 0 0 1 2 1 0 1 5 1 0 1 16 1 0 2 3 1 0 3 4 1 0 4 10 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 15 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 19 1 0 16 25 2 0 16 24 2 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > 650792 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 1.5004 0.0000 N 0 0 4.0196 1.4570 0.0000 C 0 0 3.2676 2.7548 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 -2.4133 -1.7530 0.0000 N 0 0 -3.9032 -1.9089 0.0000 C 0 0 -4.2150 -3.3761 0.0000 C 0 0 -2.9160 -4.1261 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -0.3114 -2.9665 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -2.7618 -5.6164 0.0000 O 0 0 -3.9768 -6.4975 0.0000 C 0 0 -3.8222 -7.9903 0.0000 C 0 0 -5.0724 -6.0080 0.0000 O 0 0 -4.7937 -8.6947 0.0000 C 0 0 1 2 2 0 2 3 1 0 2 6 1 0 3 7 1 0 3 18 2 0 4 5 1 0 4 11 2 0 4 18 1 0 5 6 2 0 5 12 1 0 6 17 1 0 7 8 1 0 7 9 1 0 8 9 1 0 10 18 1 0 12 13 1 0 12 16 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 19 1 0 16 17 2 0 19 20 1 0 20 21 1 0 20 22 2 0 21 23 1 0 M END > 651079 $$$$ SciTegic05042114222D 23 26 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5987 1.5004 0.0000 N 0 0 4.0196 1.4570 0.0000 C 0 0 3.2676 2.7548 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 -2.4133 -1.7530 0.0000 N 0 0 -3.9032 -1.9089 0.0000 C 0 0 -4.2150 -3.3761 0.0000 C 0 0 -2.9160 -4.1261 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -0.3114 -2.9665 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -2.7618 -5.6164 0.0000 O 0 0 -3.9768 -6.4975 0.0000 C 0 0 -5.0724 -6.0080 0.0000 O 0 0 -3.8222 -7.9903 0.0000 C 0 0 -4.7937 -8.6947 0.0000 Cl 0 0 1 2 2 0 2 3 1 0 2 6 1 0 3 7 1 0 3 18 2 0 4 5 1 0 4 11 2 0 4 18 1 0 5 6 2 0 5 12 1 0 6 17 1 0 7 8 1 0 7 9 1 0 8 9 1 0 10 18 1 0 12 13 1 0 12 16 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 19 1 0 16 17 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 M END > 651080 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 0.0000 2.7000 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 -2.4133 -1.7530 0.0000 N 0 0 -3.9032 -1.9089 0.0000 C 0 0 -4.2150 -3.3761 0.0000 C 0 0 -2.9160 -4.1261 0.0000 C 0 0 -1.8032 -3.1233 0.0000 C 0 0 -0.3114 -2.9665 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -2.7618 -5.6164 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 3.6331 3.6061 0.0000 O 0 0 1.5548 3.6021 0.0000 C 0 0 -3.9768 -6.4975 0.0000 C 0 0 -5.0724 -6.0080 0.0000 O 0 0 -3.8222 -7.9903 0.0000 C 0 0 -5.0373 -8.8713 0.0000 O 0 0 -4.9137 -10.0650 0.0000 C 0 0 1 2 2 0 2 3 1 0 2 6 1 0 3 7 1 0 3 16 2 0 4 5 1 0 4 9 2 0 4 16 1 0 5 6 2 0 5 10 1 0 6 15 1 0 7 18 1 0 8 16 1 0 10 11 1 0 10 14 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 17 1 0 14 15 2 0 17 21 1 0 18 19 2 0 18 20 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 M END > 651084 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 O 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 2.6408 0.8581 0.0000 C 0 0 3.8950 0.0676 0.0000 S 0 0 5.0358 1.0415 0.0000 C 0 0 4.4621 2.4275 0.0000 C 0 0 2.9667 2.3101 0.0000 C 0 0 -1.6321 -2.2464 0.0000 C 0 0 -3.1114 -2.3441 0.0000 C 0 0 -3.4619 -3.8026 0.0000 C 0 0 -2.1831 -4.5866 0.0000 C 0 0 -1.0423 -3.6127 0.0000 S 0 0 6.4933 0.6945 0.0000 C 0 0 -2.0628 -6.0801 0.0000 C 0 0 -0.9791 -6.5954 0.0000 O 0 0 7.3183 1.5659 0.0000 O 0 0 1 2 1 0 1 5 1 0 2 3 2 0 2 6 1 0 3 4 1 0 4 5 2 0 5 11 1 0 6 7 1 0 6 10 2 0 7 8 1 0 8 9 2 0 8 16 1 0 9 10 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 17 1 0 16 19 1 0 17 18 1 0 M END > 652287 > 213261-59-7 $$$$ SciTegic05042114222D 39 39 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -2.5972 -1.5031 0.0000 N 0 0 -0.0031 3.0008 0.0000 N 0 0 2.5973 -1.5031 0.0000 N 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.8999 -0.7576 0.0000 C 0 0 -5.1972 -1.5122 0.0000 N 0 0 -3.8933 -3.7570 0.0000 N 0 0 -3.8912 -5.2578 0.0000 C 0 0 -5.1894 -6.0109 0.0000 C 0 0 -5.1877 -7.2109 0.0000 O 0 0 -6.4998 -0.7667 0.0000 C 0 0 -7.7972 -1.5212 0.0000 C 0 0 -8.8387 -0.9252 0.0000 O 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3070 5.2502 0.0000 N 0 0 -2.6078 5.9988 0.0000 C 0 0 -2.6109 7.4996 0.0000 C 0 0 -3.6510 8.0981 0.0000 O 0 0 1.2938 3.7562 0.0000 C 0 0 1.2890 5.2570 0.0000 N 0 0 2.5859 6.0124 0.0000 C 0 0 2.5812 7.5132 0.0000 C 0 0 3.6181 8.1171 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 N 0 0 3.8912 -5.2578 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 5.1877 -7.2109 0.0000 O 0 0 3.8999 -0.7576 0.0000 C 0 0 5.1972 -1.5121 0.0000 N 0 0 6.4998 -0.7667 0.0000 C 0 0 7.7972 -1.5212 0.0000 C 0 0 8.8387 -0.9251 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 9 1 0 2 3 1 0 3 4 2 0 3 8 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 10 1 0 7 11 1 0 8 20 1 0 8 25 1 0 9 30 1 0 9 35 1 0 10 13 1 0 11 12 1 0 12 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 18 1 0 18 19 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 M END > 653000 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 653558 $$$$ SciTegic05042114222D 32 34 0 0 0 0 999 V2000 3.8912 -5.2578 0.0000 C 0 0 2.8509 -5.8560 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2007 1.4909 0.0000 N 0 0 -6.4972 0.7364 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -3.8939 -0.7546 0.0000 N 0 0 -7.5291 -1.3672 0.0000 Br 0 0 5.1894 -6.0109 0.0000 C 0 0 6.4886 -5.2610 0.0000 C 0 0 7.7876 -6.0110 0.0000 C 0 0 7.7875 -7.5110 0.0000 C 0 0 6.4885 -8.2610 0.0000 C 0 0 5.1895 -7.5109 0.0000 C 0 0 3.8934 -9.7649 0.0000 C 0 0 4.9337 -10.3630 0.0000 O 0 0 2.5952 -10.5180 0.0000 C 0 0 2.5969 -11.7180 0.0000 N 0 0 3.8912 -8.2640 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5973 -1.5031 0.0000 N 0 0 0.0000 2.7000 0.0000 C 0 0 1 2 2 0 1 19 1 0 1 30 1 0 3 4 2 0 3 30 1 0 3 31 1 0 5 6 1 0 5 10 2 0 5 31 1 0 6 7 2 0 7 8 1 0 7 32 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 1 0 12 13 1 0 12 17 2 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 29 1 0 25 26 2 0 25 27 1 0 25 29 1 0 27 28 1 0 M END > 654259 $$$$ SciTegic05042114222D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 -0.0031 3.0008 0.0000 C 0 0 -1.3039 3.7494 0.0000 N 0 0 -2.6061 6.0003 0.0000 C 0 0 -2.6061 7.5003 0.0000 C 0 0 -1.3071 8.2503 0.0000 C 0 0 -0.0080 7.5003 0.0000 C 0 0 -0.0080 6.0003 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.3040 9.7511 0.0000 C 0 0 -2.3422 10.3529 0.0000 O 0 0 -0.0032 10.4997 0.0000 O 0 0 -0.0008 11.6997 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 3 9 1 0 4 5 1 0 5 6 2 0 5 8 1 0 9 10 1 0 10 16 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 13 17 1 0 14 15 1 0 15 16 2 0 17 18 2 0 17 19 1 0 19 20 1 0 M END > 654705 > 140674-76-6 $$$$ SciTegic05042114222D 20 21 0 0 0 0 999 V2000 0.0000 2.7000 0.0000 O 0 0 3.6387 0.8963 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6060 -7.5003 0.0000 C 0 0 -2.6060 -6.0003 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -0.0079 -6.0003 0.0000 C 0 0 -0.0080 -7.5003 0.0000 C 0 0 -1.3070 -8.2503 0.0000 C 0 0 -3.6452 -5.4003 0.0000 O 0 0 1.0312 -8.1004 0.0000 O 0 0 2.6024 2.6978 0.0000 O 0 0 2.6003 1.4978 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 1 5 1 0 2 18 2 0 3 4 2 0 3 8 1 0 4 5 1 0 4 18 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 20 1 0 9 10 2 0 9 14 1 0 10 11 1 0 10 15 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 2 0 13 16 1 0 17 18 1 0 19 20 1 0 M END > 655255 > 150258-65-4 $$$$ SciTegic05042114222D 29 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5625 0.0216 0.0000 C 0 0 -1.2696 -1.9496 0.0000 O 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 C 0 0 0.0031 -3.0008 0.0000 C 0 0 -1.0351 -3.6026 0.0000 O 0 0 1.3039 -3.7494 0.0000 C 0 0 1.3070 -5.2502 0.0000 C 0 0 2.6078 -5.9988 0.0000 C 0 0 2.6131 -7.4988 0.0000 C 0 0 3.9147 -8.2443 0.0000 C 0 0 5.2112 -7.4898 0.0000 C 0 0 5.2060 -5.9898 0.0000 C 0 0 3.9044 -5.2443 0.0000 C 0 0 -2.5632 1.5224 0.0000 C 0 0 -3.8628 2.2731 0.0000 C 0 0 -3.8656 3.7731 0.0000 C 0 0 -5.1660 4.5207 0.0000 C 0 0 -6.4637 3.7683 0.0000 C 0 0 -6.4609 2.2683 0.0000 C 0 0 -5.1605 1.5207 0.0000 C 0 0 -7.5040 4.3664 0.0000 C 0 0 6.2525 -8.0862 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 9 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 8 1 0 5 7 1 0 6 11 1 0 7 21 2 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 29 1 0 19 20 2 0 21 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 25 26 1 0 25 28 1 0 26 27 2 0 M END > 657298 $$$$ SciTegic05042114222D 27 30 0 0 0 0 999 V2000 3.2029 -4.7985 0.0000 C 0 0 3.9144 -3.4780 0.0000 C 0 0 3.1265 -2.2016 0.0000 C 0 0 1.6321 -2.2464 0.0000 C 0 0 0.9157 -3.5662 0.0000 C 0 0 1.7035 -4.8426 0.0000 C 0 0 0.9889 -6.1624 0.0000 N 0 3 1.6174 -7.1847 0.0000 O 0 5 -0.2106 -6.1960 0.0000 O 0 0 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 N 0 3 -1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 S 0 0 -2.7115 0.3949 0.0000 S 0 0 -3.1750 -1.0316 0.0000 C 0 0 -1.9615 -1.9133 0.0000 C 0 0 -1.9612 -3.1133 0.0000 O 0 0 -4.6009 -1.4917 0.0000 C 0 0 -5.7148 -0.4858 0.0000 C 0 0 -5.3979 0.9804 0.0000 C 0 0 -6.5091 1.9879 0.0000 C 0 0 -7.9373 1.5294 0.0000 C 0 0 -8.2543 0.0632 0.0000 C 0 0 -7.1430 -0.9443 0.0000 C 0 0 -7.4632 -2.4106 0.0000 O 0 0 -8.6063 -2.7758 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 10 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 10 11 2 0 10 12 1 0 11 14 1 0 12 13 2 0 12 17 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 16 19 2 0 17 18 2 0 19 20 1 0 20 21 1 0 20 25 2 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 M CHG 3 7 1 8 -1 12 1 M END > 657446 $$$$ SciTegic05042114222D 14 14 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -0.0031 3.0008 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 -1.3039 3.7494 0.0000 N 0 0 -1.3070 5.2502 0.0000 C 0 0 -2.3471 5.8487 0.0000 S 0 0 -0.2688 5.8520 0.0000 N 0 0 1 2 1 0 1 6 2 0 2 3 1 0 2 8 2 0 3 4 1 0 3 9 2 0 4 5 1 0 4 10 2 0 5 6 1 0 6 7 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 M END > 657449 $$$$ SciTegic05042114222D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3115 2.9665 0.0000 N 0 0 -1.8032 3.1233 0.0000 C 0 0 -2.4133 1.7530 0.0000 C 0 0 -2.4032 4.1625 0.0000 O 0 0 -3.8794 1.4442 0.0000 N 0 0 -4.8823 2.5608 0.0000 N 0 0 -7.4444 3.2595 0.0000 S 0 0 -6.3509 2.2515 0.0000 C 0 0 -6.9394 0.8856 0.0000 N 0 0 -8.4312 1.0421 0.0000 C 0 0 -8.7433 2.5093 0.0000 C 0 0 -9.0804 -1.5257 0.0000 C 0 0 -10.1649 -2.5619 0.0000 C 0 0 -11.6046 -2.1408 0.0000 C 0 0 -11.9597 -0.6834 0.0000 C 0 0 -10.8752 0.3528 0.0000 C 0 0 -9.4352 -0.0734 0.0000 C 0 0 -12.4722 -2.9698 0.0000 Br 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 9 1 0 5 6 2 0 7 8 1 0 8 9 1 0 8 10 2 0 9 11 2 0 11 12 1 0 12 14 1 0 13 14 1 0 13 17 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 23 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 24 1 0 21 22 1 0 22 23 2 0 M END > 657456 $$$$ SciTegic05042114222D 33 36 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -2.6532 3.1236 0.0000 S 0 0 -3.6607 4.2349 0.0000 C 0 0 -5.1506 4.0762 0.0000 N 0 0 -2.9153 5.5365 0.0000 N 0 0 -1.4470 5.2297 0.0000 C 0 0 -0.5532 6.0305 0.0000 O 0 0 -6.0352 5.2886 0.0000 N 0 0 -8.5134 6.2432 0.0000 S 0 0 -7.5276 5.1296 0.0000 C 0 0 -8.2514 3.8303 0.0000 N 0 0 -9.7196 4.1371 0.0000 C 0 0 -9.8816 5.6283 0.0000 C 0 0 -10.8314 3.1291 0.0000 C 0 0 -10.6255 1.6483 0.0000 C 0 0 -11.8094 0.7272 0.0000 C 0 0 -13.1991 1.2920 0.0000 C 0 0 -13.4048 2.7778 0.0000 C 0 0 -12.2209 3.6989 0.0000 C 0 0 -14.1462 0.5551 0.0000 Br 0 0 -2.6003 -1.4978 0.0000 O 0 0 -3.6387 -0.8963 0.0000 C 0 0 -0.0031 -3.0008 0.0000 O 0 0 -1.0432 -3.5994 0.0000 C 0 0 2.6003 -1.4977 0.0000 O 0 0 3.6387 -0.8963 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 32 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 5 6 2 0 5 28 1 0 6 30 1 0 7 8 2 0 8 9 1 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 11 15 1 0 12 13 1 0 13 14 2 0 15 17 1 0 16 17 1 0 16 20 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 28 29 1 0 30 31 1 0 32 33 1 0 M END > 657457 $$$$ SciTegic05042114222D 28 31 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 N 0 3 2.4258 1.2743 0.0000 C 0 0 1.9623 2.7009 0.0000 C 0 0 0.4623 2.7009 0.0000 S 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 S 0 0 -0.7500 -1.0323 0.0000 C 0 0 1.4553 -2.0031 0.0000 O 0 0 -1.6332 -2.2426 0.0000 C 0 0 -3.1255 -2.0835 0.0000 C 0 0 -4.0115 -3.2940 0.0000 C 0 0 -5.5027 -3.1320 0.0000 C 0 0 -6.1081 -1.7596 0.0000 C 0 0 -5.2222 -0.5491 0.0000 C 0 0 -3.7310 -0.7111 0.0000 C 0 0 -7.5998 -1.5944 0.0000 N 0 3 -8.3102 -2.5616 0.0000 O 0 5 -8.0825 -0.4958 0.0000 O 0 0 3.8530 0.8102 0.0000 C 0 0 4.2721 -0.6249 0.0000 C 0 0 5.7295 -0.9798 0.0000 C 0 0 6.7656 0.1049 0.0000 C 0 0 6.3442 1.5445 0.0000 C 0 0 4.8869 1.8994 0.0000 C 0 0 7.3787 2.6319 0.0000 N 0 3 8.5451 2.3500 0.0000 O 0 5 7.0400 3.7831 0.0000 O 0 0 1 2 1 0 1 8 1 0 1 9 2 0 2 3 1 0 2 6 2 0 3 4 2 0 3 20 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 2 0 17 18 1 0 17 19 2 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 26 28 2 0 M CHG 5 2 1 17 1 18 -1 26 1 27 -1 M END > 657598 $$$$ SciTegic05042114222D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 N 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 3 -5.0114 -1.7530 0.0000 S 0 0 -4.4013 -3.1233 0.0000 C 0 0 -2.9095 -2.9665 0.0000 C 0 0 -1.9052 -4.0817 0.0000 C 0 0 -0.4237 -3.8808 0.0000 C 0 0 0.4933 -5.0679 0.0000 C 0 0 -0.0762 -6.4556 0.0000 C 0 0 -1.5628 -6.6562 0.0000 C 0 0 -2.4798 -5.4691 0.0000 C 0 0 0.8388 -7.6452 0.0000 N 0 3 2.0283 -7.4867 0.0000 O 0 5 0.3816 -8.7547 0.0000 O 0 0 -2.5981 2.7000 0.0000 O 0 0 -5.1953 1.5031 0.0000 C 0 0 -5.1932 3.0039 0.0000 C 0 0 -6.2312 3.6060 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 1 0 7 23 2 0 8 9 1 0 8 24 1 0 9 10 2 0 9 11 1 0 10 13 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 20 1 0 18 19 2 0 20 21 1 0 20 22 2 0 24 25 1 0 25 26 1 0 M CHG 3 10 1 20 1 21 -1 M END > 657603 $$$$ SciTegic05042114222D 32 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 -2.6003 -1.4978 0.0000 C 0 0 -5.2003 -1.4932 0.0000 C 0 0 -6.4990 -0.7410 0.0000 C 0 0 -7.8003 -1.4887 0.0000 C 0 0 -6.4969 0.4590 0.0000 O 0 0 -5.2029 -2.9940 0.0000 C 0 0 -3.9042 -3.7446 0.0000 C 0 0 -3.9047 -5.2446 0.0000 C 0 0 -5.2041 -5.9941 0.0000 C 0 0 -6.5028 -5.2436 0.0000 C 0 0 -6.5023 -3.7436 0.0000 C 0 0 -7.5413 -3.1433 0.0000 Cl 0 0 -2.8588 -0.1471 0.0000 O 0 0 -3.8990 -0.7455 0.0000 S 0 0 -3.8969 0.4545 0.0000 O 0 0 -7.8024 -2.6887 0.0000 O 0 0 -10.4003 -1.4842 0.0000 C 0 0 -11.6994 -0.7342 0.0000 C 0 0 -12.9984 -1.4842 0.0000 C 0 0 -12.9984 -2.9842 0.0000 C 0 0 -11.6994 -3.7342 0.0000 C 0 0 -10.4004 -2.9843 0.0000 C 0 0 -9.3612 -3.5843 0.0000 C 0 0 -11.6994 0.4658 0.0000 C 0 0 -9.0990 -0.7365 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 21 1 0 9 10 1 0 9 13 1 0 9 21 1 0 10 11 1 0 10 12 2 0 11 23 2 0 11 32 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 20 21 2 0 21 22 2 0 24 25 2 0 24 29 1 0 24 32 1 0 25 26 1 0 25 31 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > 657722 $$$$ SciTegic05042114222D 33 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.6003 1.4978 0.0000 O 0 0 3.6387 0.8963 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.0432 3.5993 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 N 0 0 -0.2688 -5.8520 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9117 -8.2482 0.0000 C 0 0 -3.9148 -9.7490 0.0000 C 0 0 -5.2156 -10.4976 0.0000 C 0 0 -5.2177 -11.9976 0.0000 C 0 0 -6.5136 -9.7457 0.0000 C 0 0 -7.8137 -10.4939 0.0000 C 0 0 -7.8158 -11.9939 0.0000 C 0 0 -6.5178 -12.7457 0.0000 C 0 0 -1.5782 -11.1034 0.0000 N 0 0 -5.2370 -8.9792 0.0000 C 0 0 -5.2334 -7.7792 0.0000 C 0 0 -6.2782 -9.5758 0.0000 C 0 0 -6.5169 -14.2465 0.0000 O 0 0 -9.1182 -12.7397 0.0000 O 0 0 -2.6164 -10.5016 0.0000 C 0 0 -10.1557 -12.1368 0.0000 C 0 0 -5.4777 -14.8465 0.0000 C 0 0 1 2 2 0 1 3 1 0 2 6 1 0 2 7 1 0 3 4 2 0 3 11 1 0 4 5 1 0 5 6 2 0 6 9 1 0 7 8 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 26 1 0 18 31 1 0 19 20 2 0 19 21 1 0 20 24 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 30 1 0 24 29 1 0 25 31 3 0 26 27 1 0 26 28 1 0 29 33 1 0 30 32 1 0 M END > 657799 $$$$ SciTegic05042114222D 38 43 0 0 0 0 999 V2000 -9.7805 3.1162 0.0000 C 0 0 -8.3134 2.8041 0.0000 C 0 0 -7.8501 1.3774 0.0000 C 0 0 -8.8539 0.2629 0.0000 C 0 0 -10.3211 0.5750 0.0000 C 0 0 -10.7844 2.0016 0.0000 C 0 0 -6.4994 0.7568 0.0000 C 0 0 -6.6375 -0.7241 0.0000 C 0 0 -8.1048 -1.0357 0.0000 C 0 0 -5.6342 -1.8377 0.0000 C 0 0 -6.0980 -3.2642 0.0000 C 0 0 -7.5653 -3.5759 0.0000 C 0 0 -8.5688 -2.4610 0.0000 C 0 0 -5.1981 1.5045 0.0000 N 0 0 -3.8994 0.7522 0.0000 N 0 0 -5.0962 -4.3818 0.0000 N 0 3 -3.9220 -4.1345 0.0000 O 0 5 -5.4688 -5.5225 0.0000 O 0 0 -10.0363 -2.7752 0.0000 N 0 3 -10.4062 -3.9168 0.0000 O 0 0 -10.8403 -1.8844 0.0000 O 0 5 -10.2470 4.5427 0.0000 N 0 3 -9.4455 5.4357 0.0000 O 0 5 -11.4211 4.7907 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 6.0000 0.0000 C 0 0 -1.2991 5.2500 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -3.8971 5.2500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 22 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 9 1 0 5 6 2 0 7 8 1 0 7 14 2 0 8 9 2 0 8 10 1 0 9 13 1 0 10 11 2 0 11 12 1 0 11 16 1 0 12 13 2 0 13 19 1 0 14 15 1 0 15 38 2 0 16 17 1 0 16 18 2 0 19 21 1 0 19 20 2 0 22 23 1 0 22 24 2 0 25 26 2 0 25 30 1 0 26 27 1 0 27 28 2 0 27 37 1 0 28 29 1 0 28 38 1 0 29 30 2 0 31 32 2 0 31 36 1 0 32 33 1 0 33 34 2 0 33 37 1 0 34 35 1 0 34 38 1 0 35 36 2 0 M CHG 6 16 1 17 -1 19 1 21 -1 22 1 23 -1 M END > 658139 $$$$ SciTegic05042114222D 20 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 -3.6373 0.9000 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 -2.5969 6.0029 0.0000 C 0 0 -2.5945 7.5029 0.0000 C 0 0 -1.2943 8.2509 0.0000 N 0 0 0.0035 7.4988 0.0000 C 0 0 0.0012 5.9988 0.0000 C 0 0 -1.2991 5.2507 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 13 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 10 1 0 5 6 2 0 5 14 1 0 7 8 1 0 7 11 2 0 8 9 2 0 8 20 1 0 9 10 1 0 10 12 2 0 15 16 1 0 15 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 M END > 658144 $$$$ SciTegic05042114222D 0 0 0 0 0 0 999 V2000 M END > 658285 $$$$ SciTegic05042114222D 25 27 0 0 0 0 999 V2000 1.2783 -6.2013 0.0000 C 0 0 1.8931 -4.8331 0.0000 C 0 0 1.0157 -3.6164 0.0000 C 0 0 -0.4767 -3.7681 0.0000 C 0 0 -1.0915 -5.1363 0.0000 C 0 0 -0.2141 -6.3529 0.0000 C 0 0 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 N 0 3 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 S 0 0 -2.4258 1.2743 0.0000 S 0 0 -1.9623 2.7008 0.0000 C 0 0 -0.4623 2.7009 0.0000 C 0 0 0.2432 3.6715 0.0000 C 0 0 2.3548 0.7651 0.0000 O 0 0 -2.8455 3.9111 0.0000 C 0 0 -2.3593 5.0082 0.0000 O 0 0 -4.3378 3.7521 0.0000 O 0 0 -5.2225 4.9644 0.0000 C 0 0 -6.4158 4.8373 0.0000 C 0 0 -0.8321 -7.7206 0.0000 N 0 3 -0.1318 -8.6950 0.0000 O 0 5 -2.0261 -7.8401 0.0000 O 0 0 1.6281 -2.2462 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 25 1 0 4 5 1 0 5 6 2 0 6 22 1 0 7 8 1 0 7 11 1 0 7 25 2 0 8 9 1 0 8 16 2 0 9 10 2 0 9 14 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 17 1 0 14 15 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 22 23 1 0 22 24 2 0 M CHG 3 9 1 22 1 23 -1 M END > 658293 $$$$ SciTegic05042114222D 34 37 0 0 0 0 999 V2000 4.1903 9.7826 0.0000 S 0 0 2.7032 9.8003 0.0000 C 0 0 2.2268 11.2092 0.0000 N 0 0 3.4403 12.0909 0.0000 C 0 0 4.6539 11.2092 0.0000 C 0 0 1.8185 8.5879 0.0000 N 0 0 0.3261 8.7469 0.0000 N 0 0 -0.5570 7.5366 0.0000 C 0 0 6.0778 11.6751 0.0000 C 0 0 6.3878 13.1436 0.0000 C 0 0 5.4946 13.9450 0.0000 O 0 0 7.8142 13.6103 0.0000 N 0 0 -2.5056 6.1248 0.0000 C 0 0 -3.9359 5.6699 0.0000 C 0 0 -4.2579 4.2041 0.0000 N 0 0 -1.3166 5.2315 0.0000 C 0 0 -1.3287 4.0316 0.0000 O 0 0 -0.0994 6.1081 0.0000 N 0 0 1.3226 5.6363 0.0000 C 0 0 1.5655 4.4611 0.0000 C 0 0 -2.0570 7.5428 0.0000 S 0 0 -7.4425 1.8328 0.0000 C 0 0 -6.0121 2.2845 0.0000 C 0 0 -5.6881 3.7491 0.0000 C 0 0 -6.7945 4.7620 0.0000 C 0 0 -8.2249 4.3103 0.0000 C 0 0 -8.5489 2.8457 0.0000 C 0 0 8.1241 15.0788 0.0000 C 0 0 7.0059 16.0787 0.0000 C 0 0 7.3127 17.5470 0.0000 C 0 0 8.7377 18.0154 0.0000 C 0 0 9.8559 17.0156 0.0000 C 0 0 9.5491 15.5473 0.0000 C 0 0 10.4436 14.7475 0.0000 C 0 0 1 2 1 0 1 5 1 0 2 3 2 0 2 6 1 0 3 4 1 0 4 5 2 0 5 9 1 0 6 7 1 0 7 8 2 0 8 18 1 0 8 21 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 28 1 0 13 14 2 0 13 16 1 0 13 21 1 0 14 15 1 0 15 24 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 28 29 2 0 28 33 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 M END > 658350 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.3115 2.9665 0.0000 N 0 0 -1.8032 3.1233 0.0000 C 0 0 -2.4133 1.7530 0.0000 C 0 0 -2.6838 4.3363 0.0000 C 0 0 -4.1756 4.1795 0.0000 N 0 0 -4.7857 2.8092 0.0000 C 0 0 -3.9040 1.5956 0.0000 C 0 0 -2.1955 5.4324 0.0000 O 0 0 0.4916 3.8582 0.0000 C 0 0 -5.0602 5.3919 0.0000 C 0 0 -6.5526 5.2329 0.0000 C 0 0 -7.4373 6.4452 0.0000 C 0 0 -8.9296 6.2862 0.0000 C 0 0 -9.8143 7.4986 0.0000 N 0 0 -11.0076 7.3714 0.0000 C 0 0 -9.3281 8.5957 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 9 1 0 5 6 2 0 7 8 1 0 7 15 1 0 8 9 2 0 8 10 1 0 9 13 1 0 10 11 1 0 10 14 2 0 11 12 1 0 11 16 1 0 12 13 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 M END > 658388 > 184691-53-0 $$$$ SciTegic05042114222D 32 35 0 0 0 0 999 V2000 3.8056 -3.8679 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 1.3786 -3.8595 0.0000 C 0 0 1.8372 -5.2877 0.0000 N 0 0 3.3372 -5.2929 0.0000 C 0 0 -0.0420 -3.3837 0.0000 N 0 0 4.9460 -3.4943 0.0000 O 0 0 4.2111 -6.5099 0.0000 C 0 0 2.1010 -8.0244 0.0000 C 0 0 3.5939 -7.8779 0.0000 C 0 0 4.4671 -9.0976 0.0000 C 0 0 3.8474 -10.4637 0.0000 C 0 0 2.3546 -10.6101 0.0000 C 0 0 1.4814 -9.3905 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 O 0 0 -1.2990 -0.7500 0.0000 O 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.1671 -4.3770 0.0000 C 0 0 -2.3049 -3.9958 0.0000 O 0 0 -0.9287 -5.5531 0.0000 C 0 0 5.6613 -8.9805 0.0000 Cl 0 0 1.1285 -6.2561 0.0000 C 0 0 1 2 1 0 1 5 1 0 1 7 2 0 2 3 1 0 2 15 1 0 3 4 1 0 3 6 2 0 4 5 1 0 4 32 1 0 5 8 2 0 6 28 1 0 8 10 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 11 31 1 0 12 13 1 0 13 14 2 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 2 0 17 24 1 0 19 20 2 0 19 21 1 0 21 25 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 28 29 2 0 28 30 1 0 M END > 658494 $$$$ SciTegic05042114222D 22 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -3.6375 -0.9049 0.0000 O 0 0 -3.8933 -3.7570 0.0000 C 0 0 -3.8912 -5.2578 0.0000 C 0 0 -2.8509 -5.8560 0.0000 O 0 0 -5.1872 -7.5117 0.0000 C 0 0 -6.4836 -8.2663 0.0000 C 0 0 -6.4784 -9.7663 0.0000 C 0 0 -5.1768 -10.5118 0.0000 C 0 0 -3.8804 -9.7573 0.0000 C 0 0 -3.8856 -8.2573 0.0000 C 0 0 -5.1685 -12.0126 0.0000 O 0 0 -4.1264 -12.6076 0.0000 C 0 0 -4.9336 -3.1588 0.0000 O 0 0 -5.1894 -6.0109 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 9 2 0 8 10 2 0 10 11 1 0 10 21 1 0 11 12 2 0 11 22 1 0 13 14 2 0 13 18 1 0 13 22 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 2 0 19 20 1 0 M END > 658709 $$$$ SciTegic05042114222D 24 23 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 Cl 0 0 1.3000 1.9500 0.0000 F 0 0 0.2609 1.3502 0.0000 F 0 0 2.6000 0.0000 0.0000 C 0 0 2.6000 -1.5007 0.0000 C 0 0 1.5611 -2.1014 0.0000 F 0 0 3.6394 -2.1004 0.0000 F 0 0 2.6006 -2.7007 0.0000 F 0 0 2.6000 1.2000 0.0000 O 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 5.2000 -1.2000 0.0000 O 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 7.7999 -1.2000 0.0000 O 0 0 6.4760 -0.7669 0.0000 C 0 0 6.4770 -1.9669 0.0000 F 0 0 5.4374 -1.3679 0.0000 F 0 0 5.4361 -0.1680 0.0000 F 0 0 9.0999 0.7500 0.0000 C 0 0 9.0999 1.9500 0.0000 F 0 0 10.1391 1.3502 0.0000 F 0 0 10.1394 0.1503 0.0000 Cl 0 0 1 5 1 0 1 3 1 0 1 4 1 0 1 2 1 0 5 6 1 0 5 11 1 0 5 10 1 0 6 7 1 0 6 8 1 0 6 9 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 17 1 0 15 16 1 0 15 21 1 0 17 18 1 0 17 19 1 0 17 20 1 0 21 22 1 0 21 24 1 0 21 23 1 0 M END > 659174 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 -3.7124 4.0029 0.0000 S 0 0 -3.1023 5.3733 0.0000 C 0 0 -1.6105 5.2165 0.0000 N 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 -3.8541 6.6692 0.0000 N 0 0 -0.8075 6.1082 0.0000 C 0 0 -5.0541 6.6675 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 14 1 0 5 6 2 0 7 8 1 0 7 10 2 0 8 9 2 0 8 13 1 0 9 11 1 0 9 14 1 0 11 12 1 0 12 13 1 0 12 16 2 0 13 17 1 0 14 15 2 0 16 18 1 0 M END > 659501 $$$$ SciTegic05042114222D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 -1.2991 3.7500 0.0000 C 0 0 -1.2991 4.9500 0.0000 Cl 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.8994 3.7477 0.0000 O 0 0 -5.1981 2.9955 0.0000 C 0 0 -6.4994 3.7432 0.0000 C 0 0 -7.7981 2.9909 0.0000 O 0 0 -8.8385 3.5888 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 3 9 1 0 4 5 1 0 4 19 1 0 5 6 2 0 5 8 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 20 2 0 M END > 659997 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.3383 -1.3500 0.0000 O 0 0 0.0000 3.0000 0.0000 C 0 0 1.0392 3.6000 0.0000 O 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -3.6373 3.6000 0.0000 Br 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.6373 0.9000 0.0000 O 0 0 -1.2991 5.2507 0.0000 N 0 0 -2.5969 6.0029 0.0000 C 0 0 -2.5945 7.5029 0.0000 C 0 0 -1.2943 8.2509 0.0000 N 0 0 0.0035 7.4988 0.0000 C 0 0 0.0012 5.9988 0.0000 C 0 0 -1.2889 9.7517 0.0000 C 0 0 0.0131 10.4982 0.0000 C 0 0 0.0186 11.9990 0.0000 O 0 0 1.3206 12.7455 0.0000 C 0 0 1.3261 14.2463 0.0000 C 0 0 2.3671 14.8432 0.0000 O 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 2 0 3 9 1 0 4 5 1 0 4 14 1 0 5 6 2 0 5 8 1 0 9 10 2 0 9 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 12 14 1 0 14 15 2 0 16 17 1 0 16 21 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 22 1 0 20 21 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 M END > 659999 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 N 0 0 0.0000 1.7286 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -1.5767 -2.8095 0.0000 N 0 0 -3.0226 -2.4105 0.0000 N 0 0 -3.0899 -0.9120 0.0000 C 0 0 3.1695 -0.6090 0.0000 C 0 0 3.7175 -2.0053 0.0000 C 0 0 2.7822 -3.1780 0.0000 C 0 0 1.2990 -2.9545 0.0000 C 0 0 -4.0914 -0.2509 0.0000 C 0 0 -1.0494 -4.2146 0.0000 C 0 0 0.4031 -4.5689 0.0000 C 0 0 0.8229 -6.0090 0.0000 C 0 0 -0.2142 -7.0926 0.0000 C 0 0 -1.6713 -6.7362 0.0000 C 0 0 -2.0912 -5.2962 0.0000 C 0 0 0.0000 2.9286 0.0000 O 0 0 1 2 1 0 1 7 2 0 1 11 1 0 2 3 1 0 3 4 1 0 3 22 2 0 4 5 1 0 5 6 2 0 5 10 1 0 6 7 1 0 6 8 1 0 7 14 1 0 8 9 1 0 8 16 1 0 9 10 2 0 10 15 1 0 11 12 2 0 12 13 1 0 13 14 2 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 M END > 662553 > 106148-11-2 $$$$ SciTegic05042114222D 15 14 0 0 0 0 999 V2000 3.9000 0.7500 0.0000 C 0 0 2.6000 0.0000 0.0000 C 0 0 2.6000 -1.2000 0.0000 Cl 0 0 3.9239 -0.7669 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 C 0 0 1.3000 1.9500 0.0000 Cl 0 0 3.9229 -1.9669 0.0000 Br 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 6.5000 1.9500 0.0000 Br 0 0 7.7999 0.0000 0.0000 C 0 0 8.8394 0.5997 0.0000 Cl 0 0 7.7999 -1.2000 0.0000 C 0 0 8.8391 -0.6002 0.0000 C 0 0 1 2 1 0 1 9 1 0 2 3 1 0 2 4 1 0 2 5 1 0 4 8 1 0 5 6 2 0 5 7 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 M END > 662825 > 58086-84-3 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -2.5973 1.5031 0.0000 O 0 0 -2.5956 2.7031 0.0000 C 0 0 2.6003 -1.4977 0.0000 N 0 0 3.8990 -0.7455 0.0000 C 0 0 5.2526 -1.3618 0.0000 N 0 0 4.0317 0.7359 0.0000 O 0 0 5.4979 1.0528 0.0000 C 0 0 6.2524 -0.2436 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 13 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 11 1 0 5 6 2 0 5 10 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 15 2 0 14 16 1 0 15 18 1 0 16 17 1 0 17 18 1 0 M END > 663996 $$$$ SciTegic05042114222D 26 26 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.4553 -2.0031 0.0000 O 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.6306 -2.2444 0.0000 C 0 0 -2.8240 -2.1186 0.0000 O 0 0 -1.0211 -3.6159 0.0000 C 0 0 -2.2545 -0.8474 0.0000 C 0 0 -3.4480 -0.7225 0.0000 F 0 0 -1.5499 0.1240 0.0000 F 0 0 -2.7433 0.2486 0.0000 F 0 0 -1.7264 -4.5867 0.0000 F 0 0 0.1723 -3.7417 0.0000 F 0 0 -0.5331 -4.7122 0.0000 F 0 0 2.6384 0.8573 0.0000 C 0 0 2.8875 2.0312 0.0000 O 0 0 3.7544 -0.1462 0.0000 C 0 0 4.8957 0.2246 0.0000 F 0 0 3.5053 -1.3201 0.0000 F 0 0 4.6463 -0.9490 0.0000 F 0 0 1.5026 1.8823 0.0000 C 0 0 1.7526 3.0559 0.0000 F 0 0 0.3610 1.5124 0.0000 F 0 0 0.6113 2.6858 0.0000 F 0 0 1 2 2 0 1 3 1 0 1 6 1 0 3 4 1 0 3 17 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 9 14 1 0 9 15 1 0 9 16 1 0 10 11 1 0 10 12 1 0 10 13 1 0 17 18 1 0 17 19 1 0 17 23 1 0 19 20 1 0 19 21 1 0 19 22 1 0 23 24 1 0 23 25 1 0 23 26 1 0 M END > 664181 $$$$ SciTegic05042114222D 18 20 0 0 0 0 999 V2000 5.4984 -5.5497 0.0000 C 0 0 4.0312 -5.2378 0.0000 N 0 0 3.8933 -3.7570 0.0000 C 0 0 5.2447 -3.1359 0.0000 O 0 0 6.2484 -4.2507 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 2.5973 -1.5031 0.0000 N 0 0 3.6375 -0.9049 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 2 1 0 1 5 1 0 2 3 2 0 3 4 1 0 3 6 1 0 4 5 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 M END > 664286 $$$$ SciTegic05042114222D 15 16 0 0 0 0 999 V2000 -4.2192 7.7859 0.0000 C 0 0 -2.7509 7.4791 0.0000 O 0 0 -2.6078 5.9988 0.0000 C 0 0 -3.9571 5.3730 0.0000 N 0 0 -4.9647 6.4842 0.0000 C 0 0 -1.3070 5.2502 0.0000 N 0 0 -1.3039 3.7494 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3421 3.1476 0.0000 C 0 0 1 2 1 0 1 5 1 0 2 3 1 0 3 4 2 0 3 6 1 0 4 5 1 0 6 7 1 0 7 8 1 0 7 15 1 0 8 11 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 M END > 664298 $$$$ SciTegic05042114222D 20 20 0 0 0 0 999 V2000 1.5548 -3.6021 0.0000 O 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5903 -4.5339 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.5495 -5.1312 0.0000 F 0 0 2.5871 -5.7339 0.0000 F 0 0 3.6278 -5.1368 0.0000 F 0 0 4.9316 -4.3586 0.0000 F 0 0 3.8916 -4.9570 0.0000 F 0 0 4.9336 -3.1588 0.0000 F 0 0 3.8968 -0.7523 0.0000 C 0 0 3.8972 0.4477 0.0000 O 0 0 4.9360 -1.3523 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 10 1 0 3 11 1 0 3 9 1 0 4 6 1 0 4 8 1 0 4 7 1 0 5 12 1 0 5 15 1 0 12 13 2 0 12 14 1 0 15 16 1 0 15 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 M END > 664327 $$$$ SciTegic05042114222D 21 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 Cl 0 0 -2.6003 1.4977 0.0000 C 0 0 -2.6061 2.9986 0.0000 N 0 0 -3.6472 3.5953 0.0000 O 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -5.1982 0.2932 0.0000 O 0 0 -6.4990 0.7409 0.0000 C 0 0 -7.5395 1.3388 0.0000 F 0 0 -7.5371 0.1389 0.0000 F 0 0 -6.4969 -0.4591 0.0000 F 0 0 -5.2029 2.9939 0.0000 C 0 0 -6.2428 3.5928 0.0000 F 0 0 -5.2045 4.1939 0.0000 F 0 0 -4.1646 3.5954 0.0000 F 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 8 1 0 5 6 2 0 6 7 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 1 0 12 13 1 0 12 14 1 0 12 18 1 0 14 15 1 0 14 16 1 0 14 17 1 0 18 19 1 0 18 20 1 0 18 21 1 0 M END > 664329 $$$$ SciTegic05042114222D 17 19 0 0 0 0 999 V2000 -1.4470 5.2297 0.0000 N 0 0 -2.6532 3.1236 0.0000 O 0 0 -0.0031 3.0008 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -3.6607 4.2349 0.0000 C 0 0 -2.9153 5.5365 0.0000 C 0 0 2.7248 1.2135 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 3.0955 -2.3548 0.0000 O 0 0 3.0955 2.3548 0.0000 C 0 0 1 12 1 0 1 10 2 0 2 10 1 0 2 11 1 0 3 6 1 0 3 10 1 0 4 5 2 0 4 9 1 0 4 15 1 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 8 9 2 0 11 12 1 0 13 14 2 0 13 17 1 0 14 15 1 0 15 16 2 0 M END > 664331 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 1.5098 0.0000 0.0000 C 0 0 0.0000 0.0000 0.0000 C 0 0 -0.4529 1.4343 0.0000 C 0 0 0.7549 2.3100 0.0000 C 0 0 1.9627 1.4343 0.0000 C 0 0 2.5062 -1.1172 0.0000 C 0 0 3.9858 -0.8002 0.0000 C 0 0 4.4539 0.6190 0.0000 C 0 0 3.4272 1.6910 0.0000 C 0 0 -0.9965 -1.1172 0.0000 C 0 0 -2.4760 -0.8002 0.0000 C 0 0 -2.9441 0.6190 0.0000 C 0 0 -1.9325 1.6910 0.0000 C 0 0 2.0533 3.0498 0.0000 C 0 0 3.0908 2.4468 0.0000 O 0 0 0.7549 5.3295 0.0000 C 0 0 -0.5435 4.5747 0.0000 N 0 0 0.7580 6.8303 0.0000 N 0 0 3.0989 8.1774 0.0000 N 0 5 2.0588 7.5788 0.0000 N 0 3 -0.5435 3.0498 0.0000 N 0 0 2.0533 4.5747 0.0000 N 0 0 1 2 1 0 1 5 2 0 1 6 1 0 2 3 2 0 2 10 1 0 3 4 1 0 3 13 1 0 4 5 1 0 4 14 1 0 4 21 1 0 5 9 1 0 6 7 2 0 7 8 1 0 8 9 2 0 10 11 2 0 11 12 1 0 12 13 2 0 14 15 2 0 14 22 1 0 16 17 2 0 16 18 1 0 16 22 1 0 17 21 1 0 18 20 2 0 19 20 2 0 M CHG 2 19 -1 20 1 M END > 666168 $$$$ SciTegic05042114222D 13 13 0 0 0 0 999 V2000 3.6513 -7.6525 0.0000 C 0 0 2.6112 -7.0540 0.0000 C 0 0 2.6080 -5.5532 0.0000 C 0 0 1.3072 -4.8047 0.0000 C 0 0 1.3040 -3.3039 0.0000 C 0 0 0.0032 -2.5554 0.0000 C 0 0 0.0000 -1.0607 0.0000 C 0 0 1.0607 0.0000 0.0000 C 0 0 0.0000 1.0607 0.0000 C 0 0 0.0000 2.2607 0.0000 O 0 0 -1.0607 0.0000 0.0000 C 0 0 -1.6571 1.0413 0.0000 Cl 0 0 -1.6573 -1.0412 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 M END > 666526 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 -1.2990 -3.7500 0.0000 C 0 0 -2.5981 -3.0000 0.0000 C 0 0 -2.5981 -1.5000 0.0000 O 0 0 1.2982 -3.7531 0.0000 C 0 0 1.2961 -5.2539 0.0000 C 0 0 0.2558 -5.8521 0.0000 O 0 0 2.5943 -6.0070 0.0000 O 0 0 2.5922 -7.5078 0.0000 C 0 0 3.6302 -8.1100 0.0000 C 0 0 -3.6373 -3.6000 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 5 10 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 1 0 9 17 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 M END > 667235 $$$$ SciTegic05042114222D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8983 -0.7549 0.0000 C 0 0 4.9386 -0.1567 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 7.7897 -3.0040 0.0000 N 0 0 7.7880 -1.8040 0.0000 C 0 0 8.8300 -3.6022 0.0000 C 0 0 1 2 1 0 1 6 2 0 1 7 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 7 8 1 0 7 10 2 0 8 9 3 0 10 11 1 0 11 12 1 0 11 16 2 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 M END > 667251 $$$$ SciTegic05042114222D 21 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 1.2990 3.7500 0.0000 S 0 0 1.2990 5.2500 0.0000 C 0 0 0.0000 6.0000 0.0000 C 0 0 0.0000 7.2000 0.0000 S 0 0 -1.2991 5.2500 0.0000 N 0 0 5.1969 5.9963 0.0000 C 0 0 5.1992 7.4964 0.0000 C 0 0 3.9014 8.2484 0.0000 C 0 0 2.6012 7.5004 0.0000 C 0 0 2.5987 6.0004 0.0000 C 0 0 3.8966 5.2484 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 10 1 0 5 6 2 0 7 8 2 0 7 11 1 0 8 9 1 0 8 15 1 0 9 10 2 0 11 12 1 0 12 13 1 0 12 20 1 0 13 14 2 0 13 15 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 M END > 667467 $$$$ SciTegic05042114222D 29 32 0 0 0 0 999 V2000 2.4911 -4.4637 0.0000 O 0 0 1.0234 -4.7733 0.0000 C 0 0 0.2755 -3.4730 0.0000 C 0 0 1.2809 -2.3599 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8939 -3.7568 0.0000 C 0 0 3.8913 -5.2568 0.0000 C 0 0 5.1890 -6.0090 0.0000 C 0 0 6.4894 -5.2613 0.0000 C 0 0 6.4920 -3.7613 0.0000 C 0 0 5.1943 -3.0091 0.0000 C 0 0 0.5336 -5.8687 0.0000 O 0 0 -2.3383 -1.3500 0.0000 Br 0 0 7.7878 -6.0139 0.0000 C 0 0 7.7876 -7.5140 0.0000 C 0 0 9.0865 -8.2642 0.0000 C 0 0 10.3857 -7.5144 0.0000 C 0 0 10.3859 -6.0144 0.0000 C 0 0 9.0870 -5.2642 0.0000 C 0 0 -0.9178 -3.3457 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 1 2 1 0 1 5 1 0 2 3 1 0 2 20 2 0 3 4 1 0 3 28 2 0 4 5 1 0 5 6 1 0 5 14 1 0 6 7 1 0 7 8 1 0 7 13 1 0 8 9 2 0 8 29 1 0 10 11 2 0 10 12 1 0 10 29 1 0 12 13 2 0 12 21 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 22 1 0 18 19 2 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 M END > 668260 $$$$ SciTegic05042114222D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -2.5981 1.5000 0.0000 O 0 0 -3.6373 3.6000 0.0000 O 0 0 1.2982 3.7531 0.0000 O 0 0 1.2961 5.2539 0.0000 C 0 0 2.5943 6.0070 0.0000 C 0 0 3.9082 6.6514 0.0000 O 0 0 4.9141 5.5386 0.0000 C 0 0 4.1665 4.2382 0.0000 C 0 0 2.6987 4.5472 0.0000 C 0 0 4.6567 3.1428 0.0000 C 0 0 6.1072 5.6663 0.0000 O 0 0 2.5916 7.5082 0.0000 C 0 0 1.2913 8.2560 0.0000 C 0 0 1.2887 9.7560 0.0000 C 0 0 2.5864 10.5082 0.0000 C 0 0 3.8868 9.7605 0.0000 C 0 0 3.8894 8.2605 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 10 1 0 5 6 2 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 1 0 9 11 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 18 1 0 14 21 1 0 15 16 1 0 16 17 1 0 16 20 2 0 17 18 1 0 17 19 2 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > 668270 $$$$ SciTegic05042114222D 46 48 0 0 0 0 999 V2000 5.1017 -6.1219 0.0000 N 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 4.9336 -3.1588 0.0000 O 0 0 4.6332 -7.5468 0.0000 C 0 0 3.1332 -7.5416 0.0000 C 0 0 2.6747 -6.1134 0.0000 C 0 0 9.0945 -6.3295 0.0000 N 0 0 7.6437 -6.6570 0.0000 C 0 0 6.5256 -5.6559 0.0000 C 0 0 6.7722 -4.4815 0.0000 O 0 0 9.8454 -7.6280 0.0000 C 0 0 8.8425 -8.7434 0.0000 C 0 0 7.4717 -8.1343 0.0000 C 0 0 11.7884 -3.4148 0.0000 N 0 0 11.1867 -4.7897 0.0000 C 0 0 9.6952 -4.9570 0.0000 C 0 0 8.9834 -3.9909 0.0000 O 0 0 12.0744 -5.9999 0.0000 C 0 0 11.5921 -7.0987 0.0000 C 0 0 13.2672 -5.8685 0.0000 C 0 0 13.8816 -1.8726 0.0000 C 0 0 13.2799 -3.2475 0.0000 C 0 0 13.9917 -4.2136 0.0000 O 0 0 12.9938 -0.6625 0.0000 C 0 0 13.4762 0.4363 0.0000 C 0 0 11.8010 -0.7938 0.0000 C 0 0 17.4663 -0.1631 0.0000 C 0 0 15.9748 -0.3304 0.0000 C 0 0 15.2630 0.6357 0.0000 O 0 0 18.0680 1.2118 0.0000 C 0 0 19.2605 1.3456 0.0000 C 0 0 17.3562 2.1779 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 15.3731 -1.7053 0.0000 N 0 0 18.3590 -1.3696 0.0000 N 0 0 19.5514 -1.2345 0.0000 C 0 0 17.8801 -2.4699 0.0000 C 0 0 11.0766 -2.4487 0.0000 C 0 0 1 2 1 0 1 5 1 0 1 10 1 0 2 3 1 0 2 7 1 0 3 4 2 0 3 34 1 0 5 6 1 0 6 7 1 0 8 9 1 0 8 12 1 0 8 17 1 0 9 10 1 0 9 14 1 0 10 11 2 0 12 13 1 0 13 14 1 0 15 16 1 0 15 23 1 0 15 46 1 0 16 17 1 0 16 19 1 0 17 18 2 0 19 20 1 0 19 21 1 0 22 23 1 0 22 25 1 0 22 42 1 0 23 24 2 0 25 26 1 0 25 27 1 0 28 29 1 0 28 31 1 0 28 43 1 0 29 30 2 0 29 42 1 0 31 32 1 0 31 33 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 41 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 43 44 1 0 43 45 1 0 M END > 669356 $$$$ SciTegic05042114222D 27 30 0 0 0 0 999 V2000 4.2194 0.1938 0.0000 C 0 0 3.1198 -0.8265 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 3.8856 1.6562 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -1.2990 -2.9545 0.0000 C 0 0 -2.7822 -3.1781 0.0000 C 0 0 -3.7175 -2.0053 0.0000 C 0 0 -3.1695 -0.6090 0.0000 C 0 0 1.3993 -2.9127 0.0000 N 0 0 0.5521 -4.1515 0.0000 O 0 0 -1.3515 1.0777 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 1.2005 -5.5050 0.0000 C 0 0 2.3970 -5.5968 0.0000 O 0 0 0.9994 -8.0976 0.0000 C 0 0 0.1502 -9.3341 0.0000 C 0 0 -1.3452 -9.2168 0.0000 C 0 0 -1.9914 -7.8632 0.0000 C 0 0 -1.1422 -6.6267 0.0000 C 0 0 0.3533 -6.7439 0.0000 C 0 0 0.0000 2.9286 0.0000 Br 0 0 -2.2897 1.8259 0.0000 Br 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 17 1 0 5 6 2 0 7 14 2 0 7 8 1 0 8 9 2 0 8 10 1 0 9 13 1 0 9 16 1 0 10 11 2 0 11 12 1 0 12 13 2 0 14 15 1 0 15 18 1 0 16 17 1 0 16 27 1 0 17 26 1 0 18 25 1 0 18 19 2 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > 670140 $$$$ SciTegic05042114222D 25 26 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5387 -4.4828 0.0000 C 0 0 -2.5619 -2.9817 0.0000 C 0 0 -3.8730 -2.2535 0.0000 C 0 0 -5.1601 -3.0239 0.0000 C 0 0 -5.1365 -4.5237 0.0000 C 0 0 -3.8258 -5.2532 0.0000 C 0 0 -1.2627 -2.2304 0.0000 C 0 0 -6.1662 -5.1400 0.0000 Cl 0 0 -2.5625 0.0216 0.0000 O 0 0 -2.5632 1.5224 0.0000 C 0 0 -3.8628 2.2731 0.0000 C 0 0 -3.8634 3.7739 0.0000 N 0 0 -4.9025 4.3741 0.0000 C 0 0 -2.8242 4.3740 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 3.6384 0.9011 0.0000 C 0 0 2.5984 2.7004 0.0000 C 0 0 3.6377 2.1009 0.0000 C 0 0 -1.4903 -5.0665 0.0000 Cl 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 21 1 6 3 4 1 0 4 5 1 0 5 6 1 0 5 13 1 1 5 15 1 0 7 8 2 0 7 12 1 0 7 25 1 0 8 9 1 0 8 13 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 21 22 1 0 21 23 1 0 21 24 1 0 M END > 670224 $$$$ SciTegic05042114222D 24 25 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5387 -4.4828 0.0000 C 0 0 -2.5619 -2.9817 0.0000 C 0 0 -3.8730 -2.2535 0.0000 C 0 0 -5.1601 -3.0239 0.0000 C 0 0 -5.1365 -4.5237 0.0000 C 0 0 -3.8258 -5.2532 0.0000 C 0 0 -1.2627 -2.2304 0.0000 C 0 0 -6.1662 -5.1400 0.0000 C 0 0 -2.5625 0.0216 0.0000 O 0 0 -2.5632 1.5224 0.0000 C 0 0 -3.8628 2.2731 0.0000 C 0 0 -3.8634 3.7739 0.0000 N 0 0 -4.9025 4.3741 0.0000 C 0 0 -2.8242 4.3740 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 3.6384 0.9011 0.0000 C 0 0 2.5984 2.7004 0.0000 C 0 0 3.6377 2.1009 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 21 1 1 3 4 1 0 4 5 1 0 5 6 1 0 5 13 1 6 5 15 1 0 7 8 2 0 7 12 1 0 8 9 1 0 8 13 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 21 22 1 0 21 23 1 0 21 24 1 0 M END > 670225 $$$$ SciTegic05042114222D 24 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -5.1516 0.0428 0.0000 C 0 0 -3.8632 -0.7279 0.0000 C 0 0 -3.8881 -2.2274 0.0000 C 0 0 -5.1988 -2.9569 0.0000 C 0 0 -6.4859 -2.1865 0.0000 C 0 0 -6.4623 -0.6867 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 3.6384 0.9011 0.0000 C 0 0 2.5984 2.7004 0.0000 C 0 0 3.6377 2.1009 0.0000 C 0 0 -2.5629 0.0216 0.0000 C 0 0 -1.2626 -2.2300 0.0000 O 0 0 0.0369 -2.9809 0.0000 C 0 0 0.0372 -4.4818 0.0000 C 0 0 1.3366 -5.2327 0.0000 N 0 0 1.3369 -6.4327 0.0000 C 0 0 2.3759 -4.6328 0.0000 C 0 0 -7.5344 -2.7701 0.0000 F 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 13 1 6 3 4 1 0 4 5 1 0 5 6 1 0 5 17 1 0 18 5 1 0 7 8 2 0 7 12 1 0 8 9 1 0 8 17 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 24 1 0 13 14 1 0 13 15 1 0 13 16 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 M END > 670226 $$$$ SciTegic05042114222D 24 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -5.1516 0.0428 0.0000 C 0 0 -3.8632 -0.7279 0.0000 C 0 0 -3.8881 -2.2274 0.0000 C 0 0 -5.1988 -2.9569 0.0000 C 0 0 -6.4859 -2.1865 0.0000 C 0 0 -6.4623 -0.6867 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 3.6384 0.9011 0.0000 C 0 0 2.5984 2.7004 0.0000 C 0 0 3.6377 2.1009 0.0000 C 0 0 -2.5629 0.0216 0.0000 C 0 0 -1.2626 -2.2300 0.0000 O 0 0 0.0369 -2.9809 0.0000 C 0 0 0.0372 -4.4818 0.0000 C 0 0 1.3366 -5.2327 0.0000 N 0 0 1.3369 -6.4327 0.0000 C 0 0 2.3759 -4.6328 0.0000 C 0 0 -7.5344 -2.7701 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 13 1 1 3 4 1 0 4 5 1 0 5 6 1 0 5 17 1 0 18 5 1 0 7 8 2 0 7 12 1 0 8 9 1 0 8 17 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 24 1 0 13 14 1 0 13 15 1 0 13 16 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 M END > 670229 $$$$ SciTegic05042114222D 37 41 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 S 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 C 0 0 2.3383 1.3500 0.0000 S 0 0 0.0000 -2.7000 0.0000 O 0 0 -5.1047 0.0031 0.0000 C 0 0 -3.1904 -2.6376 0.0000 O 0 0 -5.7065 -1.0351 0.0000 C 0 0 -5.7032 1.0432 0.0000 O 0 0 -4.6588 -2.9478 0.0000 C 0 0 -5.4604 -2.0548 0.0000 O 0 0 -5.1253 -4.3743 0.0000 C 0 0 -6.5925 -4.6865 0.0000 C 0 0 -7.0558 -6.1132 0.0000 C 0 0 -6.0519 -7.2277 0.0000 C 0 0 -4.5847 -6.9156 0.0000 C 0 0 -4.1214 -5.4890 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -7.3956 -3.7949 0.0000 Cl 0 0 -6.4225 -8.3691 0.0000 Cl 0 0 1 2 1 0 1 6 1 0 1 24 1 0 2 3 1 0 2 10 2 0 3 4 1 0 3 30 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 9 1 0 6 11 2 0 7 8 1 0 8 9 2 0 8 12 1 0 9 13 1 0 12 15 2 0 12 14 1 0 13 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 18 23 2 0 19 20 2 0 19 36 1 0 20 21 1 0 21 22 2 0 21 37 1 0 22 23 1 0 24 25 1 0 24 29 2 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 30 31 1 0 30 35 2 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 M END > 671136 $$$$ SciTegic05042114222D 41 45 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 4.1955 0.2934 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 1.6096 -3.9713 0.0000 N 0 0 4.8054 -4.6666 0.0000 N 0 0 6.4458 -1.8433 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 7.1563 -0.5278 0.0000 C 0 0 8.6557 -0.4861 0.0000 C 0 0 9.4415 -1.7638 0.0000 C 0 0 8.7279 -3.0832 0.0000 C 0 0 7.2285 -3.1249 0.0000 C 0 0 10.9419 -1.7251 0.0000 O 0 0 11.5691 -2.7482 0.0000 C 0 0 -2.6003 1.4977 0.0000 N 0 0 -3.6387 0.8962 0.0000 C 0 0 -2.6024 2.6977 0.0000 C 0 0 3.9195 -5.8781 0.0000 C 0 0 4.5226 -7.2516 0.0000 C 0 0 3.6348 -8.4606 0.0000 C 0 0 2.1438 -8.2963 0.0000 C 0 0 1.5407 -6.9229 0.0000 C 0 0 2.4285 -5.7138 0.0000 C 0 0 1.9041 -5.4429 0.0000 C 0 0 0.7796 -6.4356 0.0000 C 0 0 1.0769 -7.9058 0.0000 C 0 0 2.4988 -8.3835 0.0000 C 0 0 3.6234 -7.3909 0.0000 C 0 0 3.3261 -5.9206 0.0000 C 0 0 1.2531 -9.5042 0.0000 O 0 0 0.0605 -9.3710 0.0000 C 0 0 2.7993 -9.8539 0.0000 O 0 0 3.9374 -10.2344 0.0000 C 0 0 1 2 1 0 1 5 1 0 1 6 2 0 2 3 1 0 2 10 1 0 3 4 1 0 3 9 2 0 4 5 1 0 4 8 2 0 5 7 1 0 7 11 1 0 7 15 2 0 8 32 1 0 9 26 1 0 10 16 1 0 10 20 2 0 11 12 2 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 1 0 23 24 1 0 23 25 1 0 26 27 2 0 26 31 1 0 27 28 1 0 28 29 2 0 29 30 1 0 29 38 1 0 30 31 2 0 32 33 2 0 32 37 1 0 33 34 1 0 34 35 2 0 35 36 1 0 35 40 1 0 36 37 2 0 38 39 1 0 40 41 1 0 M END > 671394 > 128944-81-0 $$$$ SciTegic05042114222D 27 30 0 0 0 0 999 V2000 -1.8499 -0.3499 0.0000 C 0 0 -1.2999 0.1999 0.0000 C 0 0 -1.2999 0.7500 0.0000 C 0 0 -1.8499 1.2999 0.0000 C 0 0 -2.3999 0.7500 0.0000 C 0 0 -2.3999 0.1999 0.0000 C 0 0 -0.7500 -0.3499 0.0000 N 0 0 -0.1999 0.1999 0.0000 C 0 0 -0.1999 0.7500 0.0000 C 0 0 -0.7500 1.2999 0.0000 O 0 0 0.3499 1.2999 0.0000 N 0 0 0.8999 1.2999 0.0000 C 0 0 1.4499 1.8499 0.0000 C 0 0 2.0000 1.8499 0.0000 C 0 0 2.5499 1.2999 0.0000 C 0 0 2.0000 0.7500 0.0000 C 0 0 1.4499 0.7500 0.0000 C 0 0 0.3499 -0.3499 0.0000 N 0 0 0.8999 -0.3499 0.0000 C 0 0 1.4499 0.1999 0.0000 C 0 0 2.0000 0.1999 0.0000 C 0 0 2.5499 -0.3499 0.0000 C 0 0 2.0000 -0.8999 0.0000 C 0 0 1.4499 -0.8999 0.0000 C 0 0 -2.9500 -0.3499 0.0000 N 0 3 -2.9500 -0.8999 0.0000 O 0 5 -3.5000 0.1999 0.0000 O 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 7 1 0 3 4 1 0 3 10 1 0 4 5 2 0 5 6 1 0 6 25 1 0 7 8 1 0 8 9 1 0 8 18 2 0 9 10 1 0 9 11 2 0 11 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 25 26 1 0 25 27 2 0 M CHG 2 25 1 26 -1 M END > 671424 $$$$ SciTegic05042114222D 25 28 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 -1.5000 0.0000 O 0 0 2.5981 -3.0000 0.0000 C 0 0 1.2990 -3.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 N 0 0 3.8971 -3.7500 0.0000 C 0 0 3.8971 -5.2500 0.0000 C 0 0 2.5981 -6.0000 0.0000 C 0 0 1.2991 -5.2500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 2.5950 -7.5008 0.0000 C 0 0 1.2942 -8.2494 0.0000 C 0 0 2 0 0 0 0.2560 -7.6476 0.0000 N 0 0 1.2911 -9.7502 0.0000 C 0 0 0.2510 -10.3487 0.0000 O 0 0 2.3293 -10.3520 0.0000 O 0 0 1 2 2 0 1 4 1 0 1 5 1 0 2 3 1 0 3 14 1 0 3 19 2 0 4 8 2 0 4 13 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 7 12 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 20 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 20 21 1 0 21 22 1 1 21 23 1 0 23 24 2 0 23 25 1 0 M END > 672425 $$$$ SciTegic05042114222D 21 20 0 0 0 0 999 V2000 2.6000 0.0000 0.0000 N 0 3 2.6000 -1.2000 0.0000 C 0 0 1.5608 -0.6002 0.0000 C 0 0 1.3000 0.7500 0.0000 C 0 0 0.2606 0.1503 0.0000 Cl 0 0 3.9000 0.7500 0.0000 C 0 0 5.2000 0.0000 0.0000 C 0 0 6.5000 0.7500 0.0000 C 0 0 7.7999 0.0000 0.0000 C 0 0 9.0999 0.7500 0.0000 C 0 0 10.3999 0.0000 0.0000 C 0 0 11.6999 0.7500 0.0000 C 0 0 12.9999 0.0000 0.0000 C 0 0 14.2999 0.7500 0.0000 C 0 0 15.5999 0.0000 0.0000 C 0 0 16.8999 0.7500 0.0000 C 0 0 18.1999 0.0000 0.0000 C 0 0 19.4998 0.7500 0.0000 C 0 0 20.7998 0.0000 0.0000 C 0 0 22.0998 0.7500 0.0000 C 0 0 23.1393 0.1503 0.0000 C 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 6 1 0 4 5 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M CHG 1 1 1 M END > 672904 $$$$ SciTegic05042114222D 32 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5972 -1.5031 0.0000 C 0 0 -3.1405 1.5238 0.0000 O 0 0 -3.8915 -3.7585 0.0000 C 0 0 -2.5951 -3.0039 0.0000 C 0 0 -1.2935 -3.7495 0.0000 C 0 0 -1.2883 -5.2495 0.0000 C 0 0 -4.0367 0.7258 0.0000 C 0 0 -3.8982 -0.7550 0.0000 N 0 0 -5.2494 -1.3765 0.0000 C 0 0 -6.2536 -0.2622 0.0000 C 0 0 -5.5041 1.0371 0.0000 C 0 0 -3.8863 -5.2585 0.0000 C 0 0 -2.5847 -6.0040 0.0000 C 0 0 -4.4919 -2.0294 0.0000 H 0 0 2.5972 1.5031 0.0000 O 0 0 2.5955 2.7031 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -1.0432 3.5993 0.0000 C 0 0 -6.6687 -1.8233 0.0000 C 0 0 -6.9106 -2.9986 0.0000 O 0 0 -7.7907 -0.8266 0.0000 O 0 0 -8.9297 -1.2043 0.0000 C 0 0 -2.5826 -7.5048 0.0000 O 0 0 -3.6206 -8.1069 0.0000 C 0 0 1 2 1 0 1 6 2 0 1 23 1 0 2 3 2 0 2 21 1 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 10 1 0 7 14 1 0 8 13 2 0 9 10 1 0 9 18 2 0 10 11 2 0 11 12 1 0 12 19 2 0 13 14 1 0 13 17 1 0 14 15 1 0 15 16 1 0 20 15 1 0 15 27 1 0 16 17 1 0 18 19 1 0 19 31 1 0 21 22 1 0 23 24 1 0 25 26 1 0 27 28 2 0 27 29 1 0 29 30 1 0 31 32 1 0 M END > 673622 $$$$ SciTegic05042114222D 14 17 0 0 0 0 999 V2000 -2.3600 4.2800 0.0000 C 0 0 -1.7800 1.7700 0.0000 C 0 0 -2.9200 1.1200 0.0000 C 0 0 -2.9200 2.4700 0.0000 C 0 0 -0.6300 2.4700 0.0000 C 0 0 -1.7700 3.1300 0.0000 C 0 0 -0.6300 1.1200 0.0000 C 0 0 -0.9500 0.0000 0.0000 C 0 0 -2.5000 0.0000 0.0000 C 0 0 0.0156 -1.1471 0.0000 N 0 0 -0.4927 -2.5592 0.0000 N 0 0 0.4754 -3.7061 0.0000 C 0 0 0.0691 -4.8352 0.0000 O 0 0 1.6565 -3.4938 0.0000 N 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 1 0 3 9 1 0 4 5 1 0 4 6 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 M END > 673912 $$$$ SciTegic05042114222D 17 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 S 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 N 0 0 -5.1072 0.0000 0.0000 C 0 0 -5.9493 -1.2353 0.0000 C 0 0 -7.4450 -1.1225 0.0000 C 0 0 -8.0952 0.2293 0.0000 C 0 0 -7.2496 1.4682 0.0000 C 0 0 -5.7538 1.3554 0.0000 C 0 0 -9.2918 0.3196 0.0000 N 0 0 -8.1215 -2.1136 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 9 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 17 1 0 13 14 1 0 13 16 1 0 14 15 2 0 M END > 674495 $$$$ SciTegic05042114222D 46 48 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0031 -3.0008 0.0000 S 0 0 -2.5972 -1.5031 0.0000 N 0 3 -3.6375 -0.9049 0.0000 O 0 5 -2.5955 -2.7031 0.0000 O 0 0 -3.9015 3.7484 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -9.0984 5.2446 0.0000 N 0 0 -7.7993 5.9946 0.0000 C 0 0 -6.5003 5.2446 0.0000 N 0 0 -6.5002 3.7446 0.0000 C 0 0 -7.7993 2.9946 0.0000 C 0 0 -9.0984 3.7446 0.0000 C 0 0 -10.3996 2.9969 0.0000 S 0 0 -5.1993 2.9963 0.0000 N 0 0 -7.8024 1.4938 0.0000 N 0 3 -6.7643 0.8920 0.0000 O 0 5 -8.8426 0.8953 0.0000 O 0 0 -7.7993 7.1946 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 1.3039 -3.7494 0.0000 C 0 0 2.3421 -3.1476 0.0000 S 0 0 -11.6983 3.7491 0.0000 C 0 0 -11.6963 4.9491 0.0000 S 0 0 1.3070 -5.2502 0.0000 N 0 0 2.6078 -5.9988 0.0000 C 0 0 2.6109 -7.4996 0.0000 C 0 0 3.6510 -8.0981 0.0000 C 0 0 0.0101 -6.0056 0.0000 C 0 0 0.0149 -7.5064 0.0000 C 0 0 -1.0221 -8.1103 0.0000 C 0 0 -12.9996 3.0014 0.0000 N 0 0 -14.2983 3.7536 0.0000 C 0 0 -15.5996 3.0059 0.0000 C 0 0 -16.6380 3.6074 0.0000 C 0 0 -13.0053 1.5006 0.0000 C 0 0 -14.3074 0.7542 0.0000 C 0 0 -14.3120 -0.4457 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 28 1 0 3 4 2 0 4 5 1 0 4 13 1 0 5 6 2 0 5 8 1 0 6 7 1 0 7 29 1 0 8 9 1 0 8 10 2 0 11 12 1 0 11 23 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 23 1 0 16 17 2 0 16 21 1 0 17 18 1 0 17 27 1 0 18 19 2 0 19 20 1 0 19 23 1 0 20 21 2 0 20 24 1 0 21 22 1 0 22 31 1 0 24 25 1 0 24 26 2 0 29 30 2 0 29 33 1 0 31 32 2 0 31 40 1 0 33 34 1 0 33 37 1 0 34 35 1 0 35 36 1 0 37 38 1 0 38 39 1 0 40 41 1 0 40 44 1 0 41 42 1 0 42 43 1 0 44 45 1 0 45 46 1 0 M CHG 4 8 1 9 -1 24 1 25 -1 M END > 675593 $$$$ SciTegic05042114222D 17 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 3.0008 0.0000 S 0 0 1.0351 3.6026 0.0000 O 0 0 2.6003 1.4978 0.0000 O 0 0 3.6387 0.8963 0.0000 C 0 0 -1.3039 3.7494 0.0000 N 0 0 -1.3070 5.2502 0.0000 C 0 0 -2.6061 6.0003 0.0000 C 0 0 -2.6061 7.5003 0.0000 C 0 0 -1.3071 8.2503 0.0000 C 0 0 -0.0080 7.5003 0.0000 C 0 0 -0.0080 6.0003 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 9 1 0 3 4 2 0 3 7 1 0 4 5 1 0 5 6 2 0 7 8 2 0 7 11 1 0 9 10 1 0 11 12 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 M END > 676561 $$$$ SciTegic05042114222D 42 47 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -2.5981 -1.5000 0.0000 S 0 0 -3.8971 -0.7500 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -7.7934 -1.5031 0.0000 N 0 0 -7.7913 -3.0039 0.0000 N 0 3 -7.7895 -4.2039 0.0000 N 0 5 -6.5081 9.7496 0.0000 C 0 0 -6.5081 8.2496 0.0000 C 0 0 -5.2090 7.4996 0.0000 N 0 0 -3.9100 8.2497 0.0000 C 0 0 -3.9100 9.7497 0.0000 C 0 0 -5.2091 10.4997 0.0000 N 0 0 -2.6012 3.0008 0.0000 C 0 0 -3.9020 3.7494 0.0000 C 0 0 -3.9051 5.2502 0.0000 C 0 0 -5.2059 5.9988 0.0000 C 0 0 -5.2060 12.0005 0.0000 C 0 0 -3.9052 12.7491 0.0000 C 0 0 -3.9000 14.2491 0.0000 C 0 0 -2.6087 11.9947 0.0000 C 0 0 -1.3071 12.7402 0.0000 C 0 0 -1.3019 14.2402 0.0000 C 0 0 -2.5984 14.9947 0.0000 C 0 0 -0.0011 14.9888 0.0000 C 0 0 1.0371 14.3871 0.0000 O 0 0 0.0019 16.4897 0.0000 C 0 0 1.3009 17.2398 0.0000 C 0 0 -1.2972 17.2397 0.0000 C 0 0 1.3008 18.7398 0.0000 C 0 0 0.0018 19.4897 0.0000 C 0 0 -1.2972 18.7397 0.0000 C 0 0 1 2 1 0 1 4 2 0 2 3 2 0 3 6 1 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 7 10 1 0 7 24 1 0 8 9 1 0 9 10 1 0 9 14 2 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 2 0 18 19 1 0 18 23 1 0 19 20 1 0 20 21 1 0 20 27 1 0 21 22 1 0 22 23 1 0 23 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 28 29 1 0 29 30 2 0 29 31 1 0 30 34 1 0 31 32 2 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 37 39 2 0 38 40 2 0 39 42 1 0 40 41 1 0 41 42 2 0 M CHG 2 16 1 17 -1 M END > 676963 $$$$ SciTegic05042114222D 61 66 0 0 0 0 999 V2000 7.7388 -4.0972 0.0000 C 0 0 8.2288 -3.0018 0.0000 O 0 0 8.6192 -5.3126 0.0000 C 0 0 0.3288 13.2536 0.0000 C 0 0 1.5226 13.1311 0.0000 O 0 0 -0.2844 14.6235 0.0000 C 0 0 6.2484 -4.2507 0.0000 N 0 0 5.4984 -5.5497 0.0000 N 0 0 4.0312 -5.2378 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.2447 -3.1359 0.0000 C 0 0 -0.5485 12.0392 0.0000 N 0 0 -0.0841 10.6129 0.0000 C 0 0 -1.2971 9.7523 0.0000 C 0 0 -2.5111 10.6113 0.0000 C 0 0 -2.0485 12.0382 0.0000 N 0 0 5.4872 -1.9607 0.0000 O 0 0 1.0552 10.2360 0.0000 O 0 0 2.5951 -3.0039 0.0000 N 0 0 -1.2992 8.2514 0.0000 N 0 0 2.5973 -1.5031 0.0000 N 0 0 -2.5995 7.5021 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 -2.6017 6.0012 0.0000 C 0 0 -3.9002 5.2504 0.0000 C 0 0 -3.8993 3.7504 0.0000 C 0 0 -2.5998 3.0012 0.0000 C 0 0 -1.3012 3.7521 0.0000 C 0 0 -1.3022 5.2521 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 -3.6378 0.9001 0.0000 O 0 0 -2.5986 0.3004 0.0000 O 0 0 -3.6499 10.2330 0.0000 C 0 0 3.1347 -6.0355 0.0000 C 0 0 10.1121 -5.1589 0.0000 C 0 0 10.6021 -4.0635 0.0000 O 0 0 12.4855 -6.2205 0.0000 C 0 0 13.3672 -7.4341 0.0000 C 0 0 14.8590 -7.2774 0.0000 C 0 0 15.4691 -5.9071 0.0000 C 0 0 14.5875 -4.6935 0.0000 C 0 0 13.0957 -4.8502 0.0000 C 0 0 0.5944 15.8400 0.0000 C 0 0 1.7882 15.7174 0.0000 O 0 0 0.8600 18.4264 0.0000 C 0 0 0.2491 19.7964 0.0000 C 0 0 1.1299 21.0105 0.0000 C 0 0 2.6218 20.8547 0.0000 C 0 0 3.2328 19.4848 0.0000 C 0 0 2.3520 18.2707 0.0000 C 0 0 10.9925 -6.3743 0.0000 N 0 0 -0.0188 17.2098 0.0000 N 0 0 16.9614 -5.7472 0.0000 O 0 0 17.4480 -4.6503 0.0000 C 0 0 3.5057 22.0677 0.0000 O 0 0 4.6990 21.9414 0.0000 C 0 0 1 2 2 0 1 3 1 0 1 7 1 0 3 40 1 0 4 5 2 0 4 6 1 0 4 12 1 0 6 48 1 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 9 39 1 0 10 11 1 0 10 19 1 0 11 17 2 0 12 13 1 0 12 16 1 0 13 14 1 0 13 18 2 0 14 15 1 0 14 20 1 0 15 16 2 0 15 38 1 0 19 21 2 0 20 22 2 0 21 23 1 0 22 29 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 26 35 1 0 27 28 2 0 29 30 2 0 29 34 1 0 30 31 1 0 31 32 2 0 32 33 1 0 32 35 1 0 33 34 2 0 35 36 2 0 35 37 2 0 40 41 2 0 40 56 1 0 42 43 2 0 42 47 1 0 42 56 1 0 43 44 1 0 44 45 2 0 45 46 1 0 45 58 1 0 46 47 2 0 48 49 2 0 48 57 1 0 50 51 2 0 50 55 1 0 50 57 1 0 51 52 1 0 52 53 2 0 53 54 1 0 53 60 1 0 54 55 2 0 58 59 1 0 60 61 1 0 M END > 677392 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 -5.1993 3.0008 0.0000 C 0 0 -4.1611 3.6026 0.0000 O 0 0 0.0031 -3.0008 0.0000 O 0 0 1.0432 -3.5993 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.0432 3.5994 0.0000 C 0 0 -6.5032 5.2502 0.0000 C 0 0 -7.8040 5.9987 0.0000 C 0 0 -6.5001 3.7494 0.0000 N 0 0 -7.8071 7.4996 0.0000 N 0 0 -8.8472 8.0981 0.0000 C 0 0 -6.7689 8.1014 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 19 1 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 6 17 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 9 14 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 16 2 0 15 23 1 0 17 18 1 0 19 20 1 0 21 22 1 0 21 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 M END > 678917 $$$$ SciTegic05042114222D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 5.1072 0.0000 0.0000 C 0 0 5.9493 1.2353 0.0000 C 0 0 7.4450 1.1225 0.0000 C 0 0 8.0952 -0.2293 0.0000 N 0 0 7.2496 -1.4682 0.0000 C 0 0 5.7538 -1.3554 0.0000 C 0 0 2.7248 -1.2135 0.0000 N 0 0 -0.0031 3.0008 0.0000 C 0 0 1.0351 3.6026 0.0000 O 0 0 -1.3070 5.2502 0.0000 C 0 0 -2.6078 5.9988 0.0000 C 0 0 -2.6109 7.4996 0.0000 N 0 0 -3.6510 8.0981 0.0000 C 0 0 -1.5728 8.1014 0.0000 C 0 0 -1.3039 3.7494 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 15 1 0 2 3 1 0 2 8 1 0 3 4 2 0 3 16 1 0 4 5 1 0 5 6 2 0 7 9 1 0 7 15 1 0 7 8 2 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 16 17 2 0 16 23 1 0 18 19 1 0 18 23 1 0 19 20 1 0 20 21 1 0 20 22 1 0 M END > 678932 > 124341-23-7 $$$$ SciTegic05042114222D 38 42 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.7248 -1.2135 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 -2.4133 -1.7530 0.0000 N 0 0 -1.8032 -3.1233 0.0000 C 0 0 -0.3114 -2.9665 0.0000 C 0 0 3.1905 -2.6376 0.0000 C 0 0 2.3889 -3.5306 0.0000 O 0 0 4.6589 -2.9478 0.0000 O 0 0 5.0318 -4.0883 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 0.0000 2.7000 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 -2.5496 -4.4224 0.0000 C 0 0 -3.7496 -4.4245 0.0000 O 0 0 -1.7974 -5.7210 0.0000 O 0 0 -2.5451 -7.0223 0.0000 C 0 0 -1.7928 -8.3210 0.0000 C 0 0 -2.5382 -9.6227 0.0000 C 0 0 -1.7837 -10.9191 0.0000 C 0 0 -0.2837 -10.9139 0.0000 C 0 0 0.4618 -9.6123 0.0000 C 0 0 -0.2927 -8.3159 0.0000 C 0 0 -4.3432 -0.0140 0.0000 C 0 0 -5.8105 0.2972 0.0000 C 0 0 -6.2747 1.7236 0.0000 C 0 0 -5.2715 2.8387 0.0000 C 0 0 -3.8041 2.5275 0.0000 C 0 0 -3.3400 1.1011 0.0000 C 0 0 -5.6428 3.9799 0.0000 C 0 0 -3.8788 -1.4412 0.0000 S 0 0 -4.6816 -2.3331 0.0000 O 0 0 -3.5080 -2.5825 0.0000 O 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 16 1 0 3 4 1 0 3 17 2 0 4 5 1 0 4 18 2 0 5 6 2 0 5 9 1 0 6 11 1 0 7 8 2 0 7 12 1 0 8 16 1 0 9 10 1 0 9 36 1 0 10 11 2 0 10 19 1 0 12 13 2 0 12 14 1 0 14 15 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 29 30 2 0 29 34 1 0 29 36 1 0 30 31 1 0 31 32 2 0 32 33 1 0 32 35 1 0 33 34 2 0 36 37 2 0 36 38 2 0 M END > 679524 $$$$ SciTegic05042114222D 34 37 0 0 0 0 999 V2000 8.5702 -1.6492 0.0000 C 0 0 10.0088 -1.2245 0.0000 C 0 0 8.6359 0.7769 0.0000 C 0 0 7.7468 -0.4165 0.0000 C 0 0 6.2543 -0.2587 0.0000 C 0 0 5.2499 -1.3728 0.0000 C 0 0 3.8990 -0.7508 0.0000 N 0 0 4.0377 0.7299 0.0000 C 0 0 5.5052 1.0408 0.0000 C 0 0 2.9194 1.7268 0.0000 C 0 0 1.7801 1.3499 0.0000 O 0 0 3.2231 3.1966 0.0000 O 0 0 2.3273 3.9950 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2.5984 -2.7004 0.0000 O 0 0 3.6377 -2.1009 0.0000 O 0 0 10.0494 0.2750 0.0000 N 0 0 8.0597 -3.0578 0.0000 C 0 0 6.8782 -3.2673 0.0000 O 0 0 9.0252 -4.2068 0.0000 O 0 0 8.5138 -5.6178 0.0000 C 0 0 9.4793 -6.7669 0.0000 C 0 0 8.9701 -8.1778 0.0000 C 0 0 9.9374 -9.3243 0.0000 C 0 0 11.4139 -9.0598 0.0000 C 0 0 11.9231 -7.6489 0.0000 C 0 0 10.9558 -6.5024 0.0000 C 0 0 1 2 2 0 1 4 1 0 1 25 1 0 2 24 1 0 3 4 2 0 3 24 1 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 7 21 1 0 8 9 2 0 8 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 14 15 2 0 14 19 1 0 14 21 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 20 1 0 18 19 2 0 21 22 2 0 21 23 2 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 34 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 M END > 679527 > 106674-01-5 $$$$ SciTegic05042114222D 22 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 2.5925 6.0081 0.0000 N 0 0 2.5879 7.5089 0.0000 O 0 0 3.8849 8.2641 0.0000 C 0 0 3.8804 9.7649 0.0000 C 0 0 2.8392 10.3614 0.0000 O 0 0 4.9174 10.3687 0.0000 O 0 0 -2.3428 5.8471 0.0000 C 0 0 -1.0432 -3.5994 0.0000 C 0 0 1.0351 -3.6026 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 12 1 0 4 5 1 0 5 6 2 0 6 13 1 0 7 8 1 0 7 12 1 0 8 9 1 0 8 14 2 0 9 10 2 0 10 11 1 0 10 20 1 0 11 12 1 0 13 21 1 0 13 22 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 M END > 680506 $$$$ SciTegic05042114222D 26 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2999 -2.2084 0.0000 C 0 0 2.6000 -1.4586 0.0000 C 0 0 5.2000 -1.4588 0.0000 C 0 0 5.2001 -0.2588 0.0000 O 0 0 6.4999 -2.2090 0.0000 C 0 0 7.8004 -1.4614 0.0000 C 0 0 9.0980 -2.2138 0.0000 C 0 0 9.0953 -3.7138 0.0000 C 0 0 7.7949 -4.4614 0.0000 C 0 0 6.4972 -3.7090 0.0000 C 0 0 3.8999 -2.2087 0.0000 N 0 0 -1.0536 -2.0744 0.0000 N 0 0 -0.0031 3.0008 0.0000 C 0 0 1.0351 3.6026 0.0000 O 0 0 -1.3039 3.7494 0.0000 C 0 0 -1.3092 5.2494 0.0000 C 0 0 -2.6108 5.9949 0.0000 C 0 0 -3.9073 5.2404 0.0000 C 0 0 -3.9021 3.7404 0.0000 C 0 0 -2.6005 2.9949 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 3 4 1 0 3 19 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 18 1 0 7 8 1 0 8 17 1 0 9 10 2 0 9 11 1 0 9 17 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 19 20 2 0 19 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > 680509 $$$$ SciTegic05042114222D 22 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1953 -1.5031 0.0000 N 0 0 -5.1932 -3.0039 0.0000 N 0 0 -6.4914 -3.7570 0.0000 C 0 0 -6.4914 -5.2571 0.0000 C 0 0 -7.7905 -6.0071 0.0000 C 0 0 -9.0895 -5.2571 0.0000 C 0 0 -9.0896 -3.7571 0.0000 C 0 0 -7.7905 -3.0071 0.0000 C 0 0 -5.4522 -5.8571 0.0000 C 0 0 -10.3908 -6.0049 0.0000 N 0 0 -11.4292 -5.4034 0.0000 C 0 0 -10.3929 -7.2049 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 16 20 1 0 17 18 2 0 20 21 1 0 20 22 1 0 M END > 680516 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6003 1.4977 0.0000 C 0 0 -5.2003 1.4932 0.0000 C 0 0 -6.4990 0.7409 0.0000 C 0 0 -7.8007 1.4864 0.0000 C 0 0 -9.0971 0.7319 0.0000 C 0 0 -9.0919 -0.7681 0.0000 C 0 0 -7.7903 -1.5136 0.0000 C 0 0 -6.4939 -0.7591 0.0000 C 0 0 -10.4010 1.4751 0.0000 C 0 0 -13.0010 1.4616 0.0000 C 0 0 -14.2970 0.7048 0.0000 C 0 0 -15.6013 1.4457 0.0000 C 0 0 -16.8951 0.6867 0.0000 C 0 0 -16.8847 -0.8132 0.0000 C 0 0 -15.5805 -1.5542 0.0000 C 0 0 -14.2867 -0.7952 0.0000 C 0 0 -2.6030 2.9986 0.0000 C 0 0 -2.6051 4.1986 0.0000 N 0 0 -13.0088 2.9624 0.0000 C 0 0 -13.0150 4.1623 0.0000 N 0 0 -3.8990 0.7455 0.0000 N 0 0 -11.6971 0.7183 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 7 23 1 0 7 27 1 0 8 9 1 0 8 27 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 28 1 0 16 17 1 0 16 25 1 0 16 28 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 23 24 3 0 25 26 3 0 M END > 681730 $$$$ SciTegic05042114222D 28 30 0 0 0 0 999 V2000 3.8912 -5.2578 0.0000 C 0 0 2.5902 -6.0059 0.0000 C 0 0 1.5499 -6.6041 0.0000 N 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 5.1929 -3.0062 0.0000 C 0 0 6.2321 -3.6062 0.0000 O 0 0 5.1894 -6.0109 0.0000 C 0 0 5.1863 -7.5109 0.0000 C 0 0 6.4838 -8.2636 0.0000 C 0 0 7.7844 -7.5162 0.0000 C 0 0 7.7875 -6.0162 0.0000 C 0 0 6.4900 -5.2636 0.0000 C 0 0 2.5665 -4.4924 0.0000 C 0 0 1.5267 -5.0914 0.0000 C 0 0 5.1933 -1.5053 0.0000 C 0 0 6.4911 -0.7530 0.0000 C 0 0 6.4885 0.7470 0.0000 C 0 0 5.1881 1.4948 0.0000 C 0 0 3.8904 0.7425 0.0000 C 0 0 3.8930 -0.7575 0.0000 C 0 0 1 2 1 0 1 4 1 0 1 15 1 0 1 21 1 0 2 3 3 0 4 5 1 0 4 13 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 13 14 2 0 13 23 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 21 22 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 M END > 681741 $$$$ SciTegic05042114222D 42 45 0 0 0 0 999 V2000 7.7815 -10.5187 0.0000 N 0 0 2.5951 -3.0039 0.0000 N 0 0 6.4833 -9.7656 0.0000 C 0 0 6.4855 -8.2648 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 1.2941 -3.7520 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8976 -0.7553 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2898 -5.2529 0.0000 C 0 0 -0.0095 -6.0024 0.0000 C 0 0 -0.0102 -7.5024 0.0000 C 0 0 1.2884 -8.2530 0.0000 C 0 0 2.5878 -7.5036 0.0000 C 0 0 2.5886 -6.0036 0.0000 C 0 0 -0.0032 -2.9972 0.0000 C 0 0 -1.2996 -2.2428 0.0000 N 0 0 7.7794 -12.0195 0.0000 C 0 0 9.0825 -9.7706 0.0000 C 0 0 6.4791 -12.7673 0.0000 O 0 0 9.0776 -12.7726 0.0000 C 0 0 9.0777 -14.2726 0.0000 C 0 0 10.3767 -15.0227 0.0000 C 0 0 11.6758 -14.2727 0.0000 C 0 0 11.6758 -12.7727 0.0000 C 0 0 10.3768 -12.0227 0.0000 C 0 0 9.0827 -8.2697 0.0000 C 0 0 9.0828 -6.7697 0.0000 N 0 0 10.3819 -10.5219 0.0000 C 0 0 11.6832 -9.7758 0.0000 C 0 0 12.9800 -10.5297 0.0000 C 0 0 12.9755 -12.0297 0.0000 C 0 0 11.6742 -12.7758 0.0000 C 0 0 10.3774 -12.0219 0.0000 C 0 0 1 3 1 0 1 26 1 0 1 27 1 0 2 8 1 0 2 10 1 0 2 9 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 9 18 1 0 9 24 1 0 10 11 2 0 10 12 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 24 25 3 0 26 28 2 0 26 29 1 0 27 35 1 0 27 37 1 0 29 30 2 0 29 34 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 35 36 3 0 37 38 2 0 37 42 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 M END > 681744 $$$$ SciTegic05042114222D 32 36 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 3.1198 -0.8265 0.0000 C 0 0 4.2194 0.1938 0.0000 C 0 0 3.8856 1.6562 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 0.1115 3.2255 0.0000 N 0 0 -1.1278 4.0705 0.0000 C 0 0 -2.4793 3.4197 0.0000 C 0 0 -2.5914 1.9238 0.0000 C 0 0 0.7500 -1.5574 0.0000 N 0 0 -1.2707 -2.6386 0.0000 O 0 0 -3.9436 1.2730 0.0000 C 0 0 -4.0583 -0.2227 0.0000 C 0 0 -5.4108 -0.8713 0.0000 C 0 0 -6.6488 -0.0243 0.0000 C 0 0 -6.5342 1.4713 0.0000 C 0 0 -5.1817 2.1199 0.0000 C 0 0 -8.0007 -0.6760 0.0000 O 0 0 -8.0907 -1.8727 0.0000 C 0 0 -7.7711 2.3214 0.0000 O 0 0 -7.6778 3.5177 0.0000 C 0 0 -1.0157 5.5670 0.0000 C 0 0 -2.2537 6.4141 0.0000 C 0 0 -2.1392 7.9097 0.0000 C 0 0 -0.7868 8.5584 0.0000 C 0 0 0.4513 7.7115 0.0000 C 0 0 0.3368 6.2158 0.0000 C 0 0 1 2 2 0 1 7 1 0 1 15 1 0 2 10 1 0 2 3 1 0 3 4 2 0 3 11 1 0 4 5 1 0 4 14 1 0 5 6 1 0 6 15 1 0 6 16 2 0 7 8 2 0 8 9 1 0 9 10 2 0 11 12 2 0 12 13 1 0 12 27 1 0 13 14 2 0 14 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 23 1 0 21 22 2 0 21 25 1 0 23 24 1 0 25 26 1 0 27 28 2 0 27 32 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 M END > 682769 $$$$ SciTegic05042114222D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 N 0 0 -3.8971 -0.7500 0.0000 C 0 0 0.0000 -3.0000 0.0000 C 0 0 1.2990 -3.7500 0.0000 C 0 0 2.5981 -3.0000 0.0000 C 0 0 2.5981 -1.5000 0.0000 C 0 0 -2.5981 3.0007 0.0000 C 0 0 -3.8959 3.7529 0.0000 C 0 0 -3.8936 5.2529 0.0000 C 0 0 -2.5933 6.0009 0.0000 C 0 0 -1.2955 5.2488 0.0000 C 0 0 -1.2979 3.7488 0.0000 C 0 0 -2.5981 -1.5000 0.0000 N 0 0 -2.5914 7.2009 0.0000 Cl 0 0 -4.9363 -1.3500 0.0000 N 0 0 1 2 1 0 1 6 2 0 1 13 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 20 1 0 6 10 1 0 7 14 1 0 7 8 2 0 8 9 1 0 9 20 1 0 9 22 1 0 10 11 2 0 11 12 1 0 12 13 2 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 21 1 0 18 19 2 0 M END > 682864 $$$$ SciTegic05042114222D 38 43 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1953 -1.5031 0.0000 C 0 0 -5.1932 -3.0039 0.0000 N 0 0 -6.4896 -3.7585 0.0000 C 0 0 -6.4844 -5.2585 0.0000 C 0 0 -3.8863 -5.2495 0.0000 C 0 0 -3.8915 -3.7495 0.0000 C 0 0 -5.1828 -6.0040 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 2.5955 2.7031 0.0000 C 0 0 -5.1776 -7.5047 0.0000 C 0 0 -6.4728 -8.2614 0.0000 C 0 0 -6.4652 -9.7614 0.0000 C 0 0 -5.1624 -10.5048 0.0000 N 0 0 -3.8672 -9.7483 0.0000 C 0 0 -3.8748 -8.2483 0.0000 C 0 0 -3.8472 -12.7476 0.0000 C 0 0 -3.8343 -14.2476 0.0000 C 0 0 -2.5290 -14.9865 0.0000 C 0 0 -1.2364 -14.2255 0.0000 C 0 0 -1.2491 -12.7255 0.0000 C 0 0 -2.5545 -11.9866 0.0000 C 0 0 0.0690 -14.9644 0.0000 C 0 0 1.3616 -14.2034 0.0000 C 0 0 1.3489 -12.7034 0.0000 C 0 0 0.0435 -11.9645 0.0000 C 0 0 -5.1518 -12.0056 0.0000 C 0 0 2.6692 -14.9400 0.0000 O 0 0 3.7025 -14.3297 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 2 18 1 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 5 10 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 16 1 0 13 14 1 0 14 17 1 0 15 16 1 0 15 17 1 0 17 20 1 0 18 19 1 0 20 21 1 0 20 25 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 36 1 0 24 25 1 0 26 27 2 0 26 31 1 0 26 36 1 0 27 28 1 0 28 29 2 0 29 30 1 0 29 32 1 0 30 31 2 0 30 35 1 0 32 33 2 0 33 34 1 0 33 37 1 0 34 35 2 0 37 38 1 0 M END > 683792 $$$$ SciTegic05042114222D 29 33 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 0.1115 3.2255 0.0000 N 0 0 -1.1278 4.0705 0.0000 C 0 0 -2.4793 3.4197 0.0000 C 0 0 -2.5914 1.9238 0.0000 C 0 0 0.7500 -1.5574 0.0000 N 0 0 -1.2707 -2.6386 0.0000 O 0 0 3.1198 -0.8265 0.0000 C 0 0 4.2194 0.1938 0.0000 C 0 0 3.8856 1.6562 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 -1.0157 5.5670 0.0000 C 0 0 -2.2537 6.4141 0.0000 C 0 0 -2.1392 7.9097 0.0000 C 0 0 -0.7868 8.5584 0.0000 C 0 0 0.4513 7.7115 0.0000 C 0 0 0.3368 6.2158 0.0000 C 0 0 1.5332 8.2304 0.0000 Cl 0 0 -3.9436 1.2730 0.0000 C 0 0 -4.0583 -0.2227 0.0000 C 0 0 -5.4108 -0.8713 0.0000 C 0 0 -6.6488 -0.0243 0.0000 C 0 0 -6.5342 1.4713 0.0000 C 0 0 -5.1817 2.1199 0.0000 C 0 0 1 2 2 0 1 11 1 0 1 13 1 0 2 3 1 0 2 16 1 0 3 4 2 0 3 7 1 0 4 5 1 0 4 10 1 0 5 6 1 0 6 11 1 0 6 12 2 0 7 8 2 0 8 9 1 0 8 17 1 0 9 10 2 0 10 24 1 0 13 14 2 0 14 15 1 0 15 16 2 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 M END > 684480 $$$$ SciTegic05042114222D 24 24 0 0 0 0 999 V2000 -0.3499 0.0049 0.0000 C 0 0 1.2500 0.0049 0.0000 C 0 0 1.6499 -0.6899 0.0000 C 0 0 2.4500 -0.6899 0.0000 C 0 0 2.8499 0.0000 0.0000 C 0 0 2.4500 0.6999 0.0000 C 0 0 1.6499 0.6999 0.0000 C 0 0 3.6499 0.0000 0.0000 F 0 0 0.4499 0.0049 0.0000 N 0 0 -0.3499 -0.7949 0.0000 C 0 0 -1.1599 -0.7949 0.0000 F 0 0 -0.3499 -1.6050 0.0000 F 0 0 0.4599 -0.7949 0.0000 F 0 0 -0.3499 0.8050 0.0000 C 0 0 -1.0514 1.2099 0.0000 O 0 0 0.3514 1.2099 0.0000 O 0 0 1.0529 0.8050 0.0000 C 0 0 1.7544 1.2099 0.0000 C 0 0 -1.1499 0.0049 0.0000 N 0 0 -2.0499 0.0049 0.0000 C 0 0 -2.4549 0.7064 0.0000 O 0 0 -2.4549 -0.6964 0.0000 O 0 0 -3.2649 -0.6964 0.0000 C 0 0 -3.6699 0.0049 0.0000 C 0 0 1 9 1 0 1 10 1 0 1 14 1 0 1 19 1 0 2 3 2 0 2 7 1 0 2 9 1 0 3 4 1 0 4 5 2 0 5 6 1 0 5 8 1 0 6 7 2 0 10 11 1 0 10 12 1 0 10 13 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 M END > 684845 $$$$ SciTegic05042114222D 30 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 S 0 0 -2.7248 -1.2135 0.0000 S 0 0 -3.6065 0.0000 0.0000 S 0 0 -2.7248 1.2135 0.0000 C 0 0 2.6003 -1.4977 0.0000 C 0 0 2.6024 -2.6977 0.0000 O 0 0 3.8990 -0.7455 0.0000 O 0 0 4.9395 -1.3433 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 0 2.5951 3.0039 0.0000 O 0 0 3.6331 3.6061 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.5753 -2.9306 0.0000 S 0 0 0.5394 -3.9343 0.0000 C 0 0 1.8384 -3.1842 0.0000 C 0 0 1.5266 -1.7170 0.0000 S 0 0 -3.0955 2.3548 0.0000 O 0 0 3.2084 -3.7908 0.0000 C 0 0 3.3360 -4.9840 0.0000 O 0 0 4.4213 -2.9069 0.0000 O 0 0 5.5186 -3.3927 0.0000 C 0 0 0.3797 -5.4240 0.0000 C 0 0 1.3493 -6.1310 0.0000 O 0 0 -0.9922 -6.0324 0.0000 O 0 0 -1.1201 -7.2256 0.0000 C 0 0 1 2 2 0 1 9 1 0 1 17 1 0 2 5 1 0 2 13 1 0 3 4 2 0 3 6 1 0 3 17 1 0 4 5 1 0 4 8 1 0 6 7 1 0 7 8 1 0 8 22 2 0 9 10 2 0 9 11 1 0 11 12 1 0 13 14 2 0 13 15 1 0 15 16 1 0 17 18 1 0 17 21 1 0 18 19 1 0 19 20 2 0 19 27 1 0 20 21 1 0 20 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 27 28 2 0 27 29 1 0 29 30 1 0 M END > 686349 $$$$ SciTegic05042114222D 34 37 0 0 0 0 999 V2000 1.9598 0.0000 0.0000 C 0 0 3.4566 0.1183 0.0000 C 0 0 3.8068 1.5768 0.0000 C 0 0 2.5278 2.3606 0.0000 O 0 0 1.3858 1.3858 0.0000 C 0 0 1.3858 -1.3858 0.0000 O 0 0 4.2361 -0.7941 0.0000 N 0 0 0.0000 1.9598 0.0000 C 0 0 -1.3858 1.3858 0.0000 O 0 0 -1.9598 0.0000 0.0000 Si 0 0 0.0000 -1.9598 0.0000 Si 0 0 -1.3858 -1.3858 0.0000 O 0 0 -1.2999 -2.6487 0.0000 C 0 0 -2.3394 -2.0492 0.0000 C 0 0 -1.2997 -3.8487 0.0000 C 0 0 -2.6488 1.2999 0.0000 C 0 0 -2.0492 2.3394 0.0000 C 0 0 -3.8488 1.2997 0.0000 C 0 0 1.3002 -2.6490 0.0000 C 0 0 1.3011 -3.8490 0.0000 C 0 0 2.3391 -2.0485 0.0000 C 0 0 7.5660 2.5222 0.0000 C 0 0 6.5049 1.4619 0.0000 C 0 0 6.8926 0.0129 0.0000 N 0 0 8.3414 -0.3759 0.0000 C 0 0 9.4024 0.6844 0.0000 N 0 0 9.0148 2.1334 0.0000 C 0 0 6.8861 3.8583 0.0000 N 0 0 5.4045 3.6243 0.0000 C 0 0 5.1933 2.1512 0.0000 N 0 0 9.8636 2.9816 0.0000 N 0 0 -2.6490 -1.3002 0.0000 C 0 0 -3.8490 -1.3011 0.0000 C 0 0 -2.0485 -2.3391 0.0000 C 0 0 1 2 1 0 1 5 1 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 1 0 3 30 1 0 4 5 1 0 5 8 1 0 6 11 1 0 8 9 1 0 9 10 1 0 10 12 1 0 10 16 1 0 10 32 1 0 11 12 1 0 11 13 1 0 11 19 1 0 13 14 1 0 13 15 1 0 16 17 1 0 16 18 1 0 19 20 1 0 19 21 1 0 22 23 2 0 22 27 1 0 22 28 1 0 23 24 1 0 23 30 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 31 1 0 28 29 2 0 29 30 1 0 32 33 1 0 32 34 1 0 M END > 687330 > 160056-49-5 $$$$ SciTegic05042114222D 21 23 0 0 0 0 999 V2000 3.8856 1.6562 0.0000 C 0 0 4.2194 0.1938 0.0000 C 0 0 3.1198 -0.8265 0.0000 C 0 0 1.6852 -0.3846 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 2.4522 2.0983 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 1.2707 -2.6386 0.0000 O 0 0 -1.4048 -2.9100 0.0000 C 0 0 -2.9016 -3.0201 0.0000 C 0 0 -3.5571 -4.3693 0.0000 C 0 0 -5.0533 -4.4762 0.0000 C 0 0 -5.8940 -3.2340 0.0000 C 0 0 -5.2386 -1.8848 0.0000 C 0 0 -3.7424 -1.7778 0.0000 C 0 0 -7.3913 -3.3379 0.0000 O 0 0 -8.0624 -2.3431 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 11 1 0 7 8 1 0 7 12 2 0 8 9 1 0 8 13 2 0 9 10 1 0 10 11 1 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 20 1 0 18 19 2 0 20 21 1 0 M END > 687667 $$$$ SciTegic05042114222D 16 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 O 0 0 -4.9363 -1.3500 0.0000 O 0 0 -2.5981 2.7000 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.0432 3.5994 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 13 1 0 2 3 1 0 3 4 2 0 3 15 1 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 1 0 9 11 2 0 13 14 1 0 15 16 1 0 M END > 688795 $$$$ SciTegic05042114222D 29 29 0 0 1 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1 0 0 0 1.2135 0.3943 0.0000 C 0 0 1.6332 -2.2426 0.0000 C 0 0 3.1255 -2.0835 0.0000 C 0 0 4.0102 -3.2959 0.0000 C 0 0 3.4050 -4.6693 0.0000 C 0 0 4.2911 -5.8807 0.0000 C 0 0 3.6859 -7.2541 0.0000 C 0 0 4.5719 -8.4654 0.0000 C 0 0 4.0880 -9.5635 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 1 0 0 0 0.0000 2.4760 0.0000 O 0 0 -1.6281 -2.2462 0.0000 O 0 0 -1.0157 -3.6164 0.0000 Si 0 0 0.1779 -3.7398 0.0000 C 0 0 -0.3119 -2.6445 0.0000 C 0 0 -1.8953 -4.8324 0.0000 C 0 0 -1.4057 -5.9280 0.0000 C 0 0 -3.0890 -4.7091 0.0000 C 0 0 -2.5991 -5.8044 0.0000 C 0 0 5.5026 -3.1368 0.0000 O 0 0 6.3873 -4.3492 0.0000 C 0 0 7.8797 -4.1902 0.0000 O 0 0 8.7644 -5.4025 0.0000 C 0 0 10.2567 -5.2435 0.0000 C 0 0 11.1414 -6.4558 0.0000 O 0 0 12.3347 -6.3287 0.0000 C 0 0 1 2 1 0 1 3 1 1 1 13 1 0 2 11 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 23 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 11 14 2 0 12 13 1 0 13 15 1 6 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > 689228 $$$$ SciTegic05042114222D 30 34 0 0 0 0 999 V2000 -11.3388 -8.5624 0.0000 C 0 0 -11.0958 -10.0426 0.0000 C 0 0 -9.6924 -10.5723 0.0000 C 0 0 -8.5320 -9.6217 0.0000 C 0 0 -8.7750 -8.1414 0.0000 C 0 0 -10.1785 -7.6119 0.0000 C 0 0 -7.6121 -7.1927 0.0000 C 0 0 -10.3729 -6.4278 0.0000 O 0 0 -9.4980 -11.7564 0.0000 O 0 0 -6.2087 -7.7246 0.0000 N 0 0 -5.0457 -6.7759 0.0000 C 0 0 -3.6423 -7.3055 0.0000 C 0 0 -2.4820 -6.3549 0.0000 C 0 0 -2.7250 -4.8746 0.0000 C 0 0 -4.1285 -4.3451 0.0000 C 0 0 -5.2888 -5.2957 0.0000 C 0 0 -1.5659 -3.9212 0.0000 C 0 0 -0.4425 -4.3429 0.0000 O 0 0 -1.8112 -2.4405 0.0000 O 0 0 -0.6522 -1.4871 0.0000 C 0 0 -0.8987 0.0000 0.0000 C 0 0 -2.0541 -1.3755 0.0000 C 0 0 -0.6052 -0.9721 0.0000 C 0 0 -0.6052 0.5686 0.0000 C 0 0 0.4035 1.7790 0.0000 C 0 0 1.7790 1.2105 0.0000 C 0 0 0.3852 -0.6052 0.0000 C 0 0 1.7607 -0.2751 0.0000 C 0 0 -0.8987 1.3205 0.0000 C 0 0 0.7703 -1.5223 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 9 1 0 4 5 1 0 5 6 2 0 5 7 1 0 6 8 1 0 7 10 1 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 2 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 27 1 0 21 29 1 0 22 23 1 0 23 24 1 0 23 30 1 0 24 25 1 0 25 26 1 0 25 29 1 0 26 28 1 0 27 28 1 0 28 30 1 0 M END > 689857 $$$$ SciTegic05042114222D 27 30 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 N 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -6.4952 0.7500 0.0000 C 0 0 -6.4952 -0.7500 0.0000 C 0 0 -5.1961 -1.5000 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 3 3.6375 0.9049 0.0000 O 0 5 2.5955 2.7031 0.0000 O 0 0 -2.6012 -3.0008 0.0000 N 0 0 -7.7934 -1.5031 0.0000 O 0 0 -7.7917 -2.7031 0.0000 C 0 0 -3.9051 -5.2502 0.0000 C 0 0 -5.2041 -6.0003 0.0000 C 0 0 -5.2041 -7.5003 0.0000 C 0 0 -3.9051 -8.2503 0.0000 C 0 0 -2.6060 -7.5003 0.0000 C 0 0 -2.6060 -6.0003 0.0000 C 0 0 -3.9020 -3.7494 0.0000 N 0 0 1 2 2 0 1 6 1 0 2 3 1 0 2 15 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 10 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 9 14 1 0 10 18 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 15 16 1 0 15 17 2 0 18 27 1 0 19 20 1 0 21 22 2 0 21 26 1 0 21 27 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M CHG 2 15 1 16 -1 M END > 689872 $$$$ SciTegic05042114222D 39 44 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5981 -1.5000 0.0000 C 0 0 3.8971 -0.7500 0.0000 C 0 0 3.8971 0.7500 0.0000 C 0 0 2.5981 1.5000 0.0000 C 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -3.8971 -0.7500 0.0000 C 0 0 -2.5981 -1.5000 0.0000 C 0 0 -3.9170 -9.7482 0.0000 C 0 0 -5.2186 -10.4937 0.0000 C 0 0 -6.5150 -9.7392 0.0000 N 0 0 -6.5099 -8.2392 0.0000 C 0 0 -5.2082 -7.4937 0.0000 C 0 0 -3.9117 -8.2482 0.0000 C 0 0 -2.6205 -10.5027 0.0000 C 0 0 -2.6257 -12.0027 0.0000 C 0 0 -3.9273 -12.7482 0.0000 C 0 0 -5.2238 -11.9937 0.0000 C 0 0 -7.8063 -7.4847 0.0000 C 0 0 -7.8011 -5.9847 0.0000 C 0 0 -6.4995 -5.2392 0.0000 C 0 0 -5.2030 -5.9937 0.0000 C 0 0 -0.0031 -3.0008 0.0000 N 0 0 -2.6109 -7.4996 0.0000 N 0 0 -2.6012 -3.0008 0.0000 N 0 3 -1.5630 -3.6026 0.0000 O 0 5 -3.6412 -3.5994 0.0000 O 0 0 -3.9022 -5.2451 0.0000 N 0 3 -2.8640 -5.8469 0.0000 O 0 5 -3.8998 -4.0451 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 1 2 2 0 1 6 1 0 1 7 1 0 2 3 1 0 2 10 1 0 3 4 2 0 4 5 1 0 4 11 1 0 5 6 2 0 5 14 1 0 6 29 1 0 7 8 2 0 8 9 1 0 9 10 2 0 11 12 2 0 12 13 1 0 13 14 2 0 14 31 1 0 15 16 2 0 15 20 1 0 15 21 1 0 16 17 1 0 16 24 1 0 17 18 2 0 18 19 1 0 18 25 1 0 19 20 2 0 19 28 1 0 20 30 1 0 21 22 2 0 22 23 1 0 23 24 2 0 25 26 2 0 26 27 1 0 27 28 2 0 28 34 1 0 29 37 1 0 30 39 1 0 31 32 1 0 31 33 2 0 34 35 1 0 34 36 2 0 37 38 1 0 38 39 1 0 M CHG 4 31 1 32 -1 34 1 35 -1 M END > 690634 $$$$ SciTegic05042114222D 16 17 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 C 0 0 1.2135 0.3943 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -3.1909 2.2347 0.0000 C 0 0 -2.6408 0.8580 0.0000 C 0 0 -3.7580 -0.1251 0.0000 O 0 0 -5.0368 0.6589 0.0000 N 0 0 -4.6863 2.1174 0.0000 C 0 0 0.0000 1.2760 0.0000 N 0 0 -5.4654 3.0300 0.0000 C 0 0 2.6375 0.8603 0.0000 C 0 0 3.5307 0.0589 0.0000 O 0 0 2.9474 2.3287 0.0000 O 0 0 4.3738 2.7955 0.0000 C 0 0 4.6216 3.9696 0.0000 C 0 0 1 2 2 0 1 4 1 0 2 10 1 0 2 12 1 0 3 4 2 0 3 6 1 0 3 10 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 11 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 M END > 693053 $$$$ SciTegic05042114222D 27 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.3039 -3.7494 0.0000 N 0 3 -0.0031 -3.0008 0.0000 C 0 0 0.0000 2.7000 0.0000 F 0 0 -2.3421 -3.1476 0.0000 C 0 0 -1.3020 -2.5494 0.0000 C 0 0 -1.3070 -5.2502 0.0000 C 0 0 -2.6078 -5.9988 0.0000 C 0 0 -2.6109 -7.4996 0.0000 C 0 0 -3.9117 -8.2482 0.0000 C 0 0 -3.9148 -9.7490 0.0000 C 0 0 -5.2156 -10.4976 0.0000 C 0 0 -5.2187 -11.9984 0.0000 C 0 0 -6.5195 -12.7469 0.0000 C 0 0 -6.5226 -14.2478 0.0000 C 0 0 -7.8234 -14.9963 0.0000 C 0 0 -7.8265 -16.4971 0.0000 C 0 0 -9.1273 -17.2457 0.0000 C 0 0 -9.1304 -18.7465 0.0000 C 0 0 -10.4312 -19.4951 0.0000 C 0 0 -10.4343 -20.9959 0.0000 C 0 0 -11.4744 -21.5944 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 9 1 0 4 5 1 0 5 6 2 0 6 8 1 0 7 8 1 0 7 10 1 0 7 11 1 0 7 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 M CHG 1 7 1 M END > 693172 $$$$ SciTegic05042114222D 19 21 0 0 0 0 999 V2000 9.5936 5.2113 0.0000 N 0 0 10.3481 3.9149 0.0000 C 0 0 9.6026 2.6133 0.0000 N 0 0 8.1026 2.6079 0.0000 C 0 0 7.3481 3.9045 0.0000 C 0 0 8.0936 5.2061 0.0000 C 0 0 7.3541 1.3071 0.0000 C 0 0 5.8532 1.3040 0.0000 N 0 0 5.1047 0.0031 0.0000 N 0 0 7.9559 0.2689 0.0000 C 0 0 3.6065 0.0000 0.0000 C 0 0 2.7248 -1.2135 0.0000 S 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7248 1.2135 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 7 8 2 0 7 10 1 0 8 9 1 0 9 11 1 0 11 12 1 0 11 15 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 14 19 1 0 16 17 2 0 17 18 1 0 18 19 2 0 M END > 693632 $$$$ SciTegic05042114222D 11 11 0 0 0 0 999 V2000 0.7500 -1.0323 0.0000 O 0 0 1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.6332 -2.2426 0.0000 C 0 0 -3.1255 -2.0835 0.0000 N 0 0 -1.1470 -3.3397 0.0000 O 0 0 -4.0102 -3.2959 0.0000 O 0 0 -3.6117 -0.9864 0.0000 C 0 0 -5.2035 -3.1688 0.0000 C 0 0 1 2 1 0 1 5 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 2 0 7 9 1 0 7 10 1 0 9 11 1 0 M END > 695218 $$$$ SciTegic05042114222D 29 31 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.6003 1.4978 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.8990 0.7455 0.0000 C 0 0 -5.2007 1.4909 0.0000 C 0 0 -6.4972 0.7364 0.0000 C 0 0 -6.4920 -0.7636 0.0000 C 0 0 -5.1903 -1.5091 0.0000 C 0 0 -3.8939 -0.7546 0.0000 C 0 0 -7.7876 -1.5212 0.0000 O 0 0 -7.7802 -3.0220 0.0000 C 0 0 -9.0758 -3.7796 0.0000 C 0 0 -6.7379 -3.6166 0.0000 O 0 0 -9.0685 -5.2804 0.0000 C 0 0 3.8990 0.7455 0.0000 N 0 0 4.9395 1.3434 0.0000 C 0 0 3.8969 -0.4545 0.0000 C 0 0 -10.3641 -6.0379 0.0000 C 0 0 -10.3589 -7.5380 0.0000 C 0 0 -11.6554 -8.2925 0.0000 C 0 0 -12.9570 -7.5470 0.0000 C 0 0 -12.9622 -6.0470 0.0000 C 0 0 -11.6658 -5.2925 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 7 1 0 3 4 1 0 3 8 2 0 4 5 1 0 4 9 2 0 5 6 1 0 7 21 1 0 9 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 16 1 0 14 15 2 0 16 17 1 0 17 18 1 0 17 19 2 0 18 20 2 0 20 24 1 0 21 22 1 0 21 23 1 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 M END > 697443 $$$$ SciTegic05042114222D 66 70 0 0 0 0 999 V2000 11.6569 -23.2807 0.0000 C 0 0 12.9533 -24.0352 0.0000 O 0 0 14.2549 -23.2897 0.0000 C 0 0 14.2601 -21.7897 0.0000 C 0 0 12.9637 -21.0352 0.0000 C 0 0 11.6620 -21.7808 0.0000 C 0 0 15.5505 -24.0473 0.0000 C 0 0 12.9658 -19.5343 0.0000 O 0 0 11.6882 -24.7609 0.0000 O 0 0 10.8052 -22.7567 0.0000 H 0 0 10.3664 -21.0232 0.0000 N 0 0 10.3737 -19.5224 0.0000 C 0 0 9.3378 -18.9167 0.0000 O 0 0 11.4160 -18.9278 0.0000 C 0 0 12.9850 -25.5163 0.0000 C 0 0 12.9802 -27.0171 0.0000 C 0 0 14.2752 -27.7741 0.0000 C 0 0 14.2673 -29.2740 0.0000 C 0 0 12.9643 -30.0172 0.0000 C 0 0 11.6692 -29.2603 0.0000 C 0 0 11.6772 -27.7603 0.0000 C 0 0 15.5447 -25.2473 0.0000 O 0 0 15.3014 -21.1934 0.0000 O 0 0 11.6676 -18.7813 0.0000 C 0 0 12.7100 -16.6822 0.0000 O 0 0 11.6698 -17.2804 0.0000 C 0 0 10.3737 -15.0265 0.0000 C 0 0 9.0755 -14.2734 0.0000 C 0 0 8.0352 -14.8716 0.0000 O 0 0 7.7794 -12.0195 0.0000 C 0 0 9.0776 -12.7726 0.0000 N 0 0 7.7815 -10.5187 0.0000 C 0 0 6.4768 -12.7650 0.0000 C 0 0 5.4395 -12.1617 0.0000 O 0 0 6.4833 -9.7656 0.0000 C 0 0 6.4855 -8.2648 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 -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 -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 1.2982 -3.7531 0.0000 N 0 3 2.3385 -3.1549 0.0000 O 0 5 1.2965 -4.9531 0.0000 O 0 0 7.5257 -7.6666 0.0000 O 0 0 5.1894 -6.0109 0.0000 C 0 0 5.1873 -7.5117 0.0000 N 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 N 0 0 6.4726 -13.9650 0.0000 N 0 0 10.6274 -19.3794 0.0000 C 0 0 11.6763 -14.2810 0.0000 C 0 0 12.7136 -14.8843 0.0000 C 0 0 11.6805 -13.0811 0.0000 C 0 0 10.3716 -16.5273 0.0000 N 0 0 1 2 1 0 1 6 1 0 1 9 1 0 1 10 1 0 2 3 1 0 3 4 1 0 3 7 1 0 4 5 1 0 4 23 1 0 5 6 1 0 5 8 1 0 6 11 1 0 7 22 1 0 8 24 1 0 9 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 15 16 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 24 26 1 0 24 62 1 0 25 26 2 0 26 66 1 0 27 28 1 0 27 63 1 0 27 66 1 0 28 29 2 0 28 31 1 0 30 31 1 0 30 32 1 0 30 33 1 0 32 35 1 0 33 34 2 0 33 61 1 0 35 36 1 0 36 54 2 0 36 56 1 0 37 38 2 0 37 42 1 0 37 60 1 0 38 39 1 0 38 43 1 0 39 40 2 0 39 46 1 0 40 41 1 0 41 42 2 0 41 47 1 0 42 50 1 0 43 44 2 0 44 45 1 0 45 46 2 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 2 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 63 64 1 0 63 65 1 0 M CHG 2 51 1 52 -1 M END > 697468 $$$$ SciTegic05042114222D 17 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 -2.7000 0.0000 O 0 0 0.0000 2.7000 0.0000 O 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.6387 0.8962 0.0000 O 0 0 2.3383 -1.3500 0.0000 C 0 0 -2.5987 -1.5004 0.0000 N 0 0 -4.0196 -1.4569 0.0000 C 0 0 -3.2676 -2.7548 0.0000 C 0 0 4.0196 1.4570 0.0000 C 0 0 3.2676 2.7548 0.0000 C 0 0 2.5987 1.5004 0.0000 N 0 0 1 2 2 0 1 6 1 0 1 11 1 0 2 3 1 0 2 17 1 0 3 4 1 0 3 8 2 0 4 5 2 0 4 9 1 0 5 6 1 0 5 12 1 0 6 7 2 0 9 10 1 0 12 13 1 0 12 14 1 0 13 14 1 0 15 16 1 0 15 17 1 0 16 17 1 0 M END > 697726 > 221635-42-3 $$$$ SciTegic05042114222D 18 19 0 0 0 0 999 V2000 5.2499 -1.3728 0.0000 O 0 0 5.5052 1.0408 0.0000 C 0 0 4.0377 0.7299 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2.5984 -2.7004 0.0000 O 0 0 3.6377 -2.1009 0.0000 O 0 0 3.8990 -0.7508 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.2543 -0.2587 0.0000 C 0 0 7.7446 -0.4131 0.0000 N 0 3 8.2339 -1.5088 0.0000 O 0 5 8.4492 0.5583 0.0000 O 0 0 -2.3383 1.3500 0.0000 C 0 0 1 7 1 0 1 14 1 0 2 3 1 0 2 14 2 0 3 7 2 0 4 5 2 0 4 6 2 0 4 7 1 0 4 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 18 1 0 12 13 2 0 14 15 1 0 15 16 1 0 15 17 2 0 M CHG 2 15 1 16 -1 M END > 697923 > 343351-67-7 $$$$ SciTegic05042114222D 33 36 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 7.7928 -6.0048 0.0000 N 0 0 8.8311 -5.4034 0.0000 C 0 0 7.7948 -7.2048 0.0000 C 0 0 -2.5987 -1.5004 0.0000 N 0 0 -3.8991 -0.7525 0.0000 C 0 0 -5.1969 -1.5046 0.0000 C 0 0 -5.1945 -3.0046 0.0000 C 0 0 -3.8943 -3.7525 0.0000 N 0 0 -2.5964 -3.0004 0.0000 C 0 0 -1.5563 -3.5988 0.0000 S 0 0 -3.8919 -5.2533 0.0000 C 0 0 -5.1885 -6.0075 0.0000 C 0 0 -5.1838 -7.5075 0.0000 C 0 0 -3.8824 -8.2534 0.0000 C 0 0 -2.5857 -7.4992 0.0000 C 0 0 -2.5905 -5.9992 0.0000 C 0 0 -6.2328 -3.6062 0.0000 O 0 0 -3.9010 0.4475 0.0000 O 0 0 1 6 1 0 1 14 1 0 1 2 2 0 2 3 1 0 3 4 2 0 3 19 1 0 4 5 1 0 5 6 2 0 6 7 1 0 8 9 2 0 8 13 1 0 8 15 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 16 1 0 12 13 2 0 14 15 2 0 16 17 1 0 16 18 1 0 19 20 1 0 19 24 1 0 20 21 2 0 20 33 1 0 21 22 1 0 22 23 1 0 22 32 2 0 23 24 1 0 23 26 1 0 24 25 2 0 26 27 2 0 26 31 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 M END > 698031 $$$$ SciTegic05042114222D 30 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.7248 1.2135 0.0000 N 0 0 -3.6065 0.0000 0.0000 C 0 0 -2.7248 -1.2135 0.0000 C 0 0 -3.6048 2.4258 0.0000 N 0 3 -5.0313 1.9623 0.0000 C 0 0 -5.0313 0.4623 0.0000 C 0 0 -3.1904 -2.6376 0.0000 C 0 0 -4.6588 -2.9478 0.0000 C 0 0 -5.1271 -4.3729 0.0000 C 0 0 -6.5954 -4.6799 0.0000 C 0 0 -7.5954 -3.5619 0.0000 C 0 0 -7.1272 -2.1369 0.0000 C 0 0 -5.6590 -1.8298 0.0000 C 0 0 -3.2337 3.5670 0.0000 C 0 0 -9.0651 -3.8661 0.0000 N 0 0 -9.8639 -2.9706 0.0000 C 0 0 -9.4416 -5.0055 0.0000 C 0 0 -6.2455 2.8444 0.0000 C 0 0 -7.6528 2.3399 0.0000 C 0 0 -8.7966 3.3104 0.0000 C 0 0 -8.5280 4.7862 0.0000 C 0 0 -7.1157 5.2915 0.0000 C 0 0 -5.9719 4.3210 0.0000 C 0 0 -9.4430 5.5626 0.0000 Cl 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 5 9 1 0 7 8 1 0 7 10 1 0 8 9 1 0 8 12 2 0 9 13 2 0 10 11 2 0 10 20 1 0 11 12 1 0 11 24 1 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 21 1 0 18 19 2 0 21 22 1 0 21 23 1 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 27 28 1 0 27 30 1 0 28 29 2 0 M CHG 1 10 1 M END > 699479 $$$$ SciTegic05042114222D 32 34 0 0 0 0 999 V2000 1.9598 0.0000 0.0000 S 0 0 1.3858 1.3858 0.0000 S 0 0 0.0000 1.9598 0.0000 C 0 0 -1.3858 1.3858 0.0000 C 0 0 0.0000 -1.9598 0.0000 S 0 0 1.3858 -1.3858 0.0000 S 0 0 -0.1183 3.4566 0.0000 N 0 0 -1.5768 3.8068 0.0000 C 0 0 -2.3606 2.5278 0.0000 N 0 0 -3.8545 2.4139 0.0000 C 0 0 -4.7023 3.6523 0.0000 C 0 0 -6.1988 3.5382 0.0000 C 0 0 -2.0361 4.9154 0.0000 S 0 0 1.0186 4.4324 0.0000 C 0 0 0.7424 5.9076 0.0000 C 0 0 1.8813 6.8851 0.0000 C 0 0 -6.8767 4.5283 0.0000 C 0 0 1.6605 8.0646 0.0000 C 0 0 -1.3858 -1.3858 0.0000 C 0 0 -1.9598 0.0000 0.0000 C 0 0 -2.5278 -2.3606 0.0000 N 0 0 -3.8068 -1.5768 0.0000 C 0 0 -3.4566 -0.1183 0.0000 N 0 0 -4.4324 1.0186 0.0000 C 0 0 -5.9076 0.7425 0.0000 C 0 0 -6.8851 1.8813 0.0000 C 0 0 -4.9154 -2.0361 0.0000 S 0 0 -2.4139 -3.8545 0.0000 C 0 0 -3.6523 -4.7023 0.0000 C 0 0 -3.5382 -6.1988 0.0000 C 0 0 -8.0646 1.6605 0.0000 C 0 0 -4.5283 -6.8767 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 9 1 0 4 20 1 0 5 6 1 0 5 19 1 0 7 8 1 0 7 14 1 0 8 9 1 0 8 13 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 1 0 14 15 1 0 15 16 1 0 16 18 1 0 19 20 2 0 19 21 1 0 20 23 1 0 21 22 1 0 21 28 1 0 22 23 1 0 22 27 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 31 1 0 28 29 1 0 29 30 1 0 30 32 1 0 M END > 700582 $$$$ SciTegic05042114222D 38 40 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 1.0351 3.6026 0.0000 O 0 0 -1.3039 3.7494 0.0000 N 0 0 -1.3070 5.2502 0.0000 N 0 0 -2.1691 3.2479 0.0000 H 0 0 -2.6078 5.9988 0.0000 C 0 0 -3.9070 5.2473 0.0000 N 0 0 -5.2078 5.9959 0.0000 N 0 0 -6.5070 5.2444 0.0000 C 0 0 -7.8082 5.9907 0.0000 C 0 0 -9.1051 5.2370 0.0000 C 0 0 -9.1009 3.7370 0.0000 C 0 0 -7.7997 2.9907 0.0000 C 0 0 -6.5028 3.7444 0.0000 C 0 0 -2.6095 7.4995 0.0000 C 0 0 -1.3103 8.2493 0.0000 C 0 0 -1.3099 9.7493 0.0000 C 0 0 -2.6088 10.4996 0.0000 C 0 0 -3.9080 9.7500 0.0000 C 0 0 -3.9084 8.2500 0.0000 C 0 0 -2.6115 12.0005 0.0000 N 0 0 -3.9121 12.7494 0.0000 C 0 0 -1.3144 12.7555 0.0000 C 0 0 -1.3188 14.2563 0.0000 C 0 0 -0.0217 15.0113 0.0000 C 0 0 1.0154 15.6150 0.0000 N 0 0 -3.9148 14.2502 0.0000 C 0 0 -5.2155 14.9991 0.0000 C 0 0 -6.2554 15.5978 0.0000 N 0 0 0.0000 -2.7000 0.0000 C 0 0 -4.9478 7.6503 0.0000 C 0 0 -10.1384 3.1341 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 3 7 1 0 4 5 1 0 5 6 2 0 6 36 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 10 12 2 0 12 13 1 0 12 21 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 38 1 0 19 20 2 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 27 1 0 25 26 2 0 26 37 1 0 27 28 1 0 27 29 1 0 28 33 1 0 29 30 1 0 30 31 1 0 31 32 3 0 33 34 1 0 34 35 3 0 M END > 703550 $$$$ SciTegic05042114222D 27 29 0 0 0 0 999 V2000 2.5866 -7.2047 0.0000 O 0 0 2.5894 -6.0047 0.0000 C 0 0 1.2912 -5.2516 0.0000 N 0 0 1.2917 -3.7508 0.0000 C 0 0 0.2530 -3.1498 0.0000 C 0 0 5.1873 -7.5117 0.0000 S 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 1.2926 -2.5508 0.0000 C 0 0 2.3313 -3.1515 0.0000 C 0 0 4.1470 -8.1099 0.0000 O 0 0 -0.0105 -5.9986 0.0000 C 0 0 -1.3088 -5.2455 0.0000 C 0 0 -2.6109 -5.9901 0.0000 C 0 0 -3.9068 -5.2348 0.0000 C 0 0 -3.9006 -3.7348 0.0000 C 0 0 -2.5985 -2.9901 0.0000 C 0 0 -1.3026 -3.7455 0.0000 C 0 0 -5.3345 -5.6924 0.0000 O 0 0 -6.2111 -4.4753 0.0000 C 0 0 -5.3245 -3.2654 0.0000 O 0 0 6.4855 -8.2648 0.0000 C 0 0 6.4855 -9.7648 0.0000 C 0 0 7.7846 -10.5149 0.0000 C 0 0 9.0836 -9.7649 0.0000 C 0 0 9.0836 -8.2649 0.0000 C 0 0 7.7846 -7.5149 0.0000 C 0 0 1 2 2 0 2 3 1 0 2 8 1 0 3 4 1 0 3 12 1 0 4 5 1 0 4 9 1 0 4 10 1 0 6 7 1 0 6 22 1 0 6 11 2 0 7 8 2 0 12 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 16 21 1 0 17 18 2 0 19 20 1 0 20 21 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 M END > 705330 > 207350-09-2 $$$$