SciTegic07110717372D 12 12 0 0 0 0 999 V2000 1.2626 -2.2300 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 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 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 -1.2999 2.2084 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 2.5235 -3.0440 0.0000 O 0 0 2 1 1 6 1 12 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 11 1 1 4 5 1 0 4 10 1 6 5 6 1 0 5 9 1 1 6 7 1 0 6 8 1 1 M END > ZINC03861213 > 1 $$$$ SciTegic07110717372D 17 18 0 0 0 0 999 V2000 2.9761 2.4388 0.0000 C 0 0 1.5656 2.8889 0.0000 C 0 0 2 0 0 0 0.3168 3.8022 0.0000 C 0 0 2 0 0 0 -1.0251 3.1871 0.0000 C 0 0 1 0 0 0 -1.1742 1.6588 0.0000 C 0 0 2 0 0 0 0.0186 0.7828 0.0000 C 0 0 2 0 0 0 1.3979 1.3979 0.0000 O 0 0 1.4351 0.3168 0.0000 C 0 0 2.4072 1.0204 0.0000 O 0 0 1.4351 -1.1556 0.0000 N 0 0 0.0186 -1.6401 0.0000 C 0 0 -0.3446 -2.7838 0.0000 O 0 0 -0.8574 -0.4287 0.0000 N 0 0 -2.3503 2.5572 0.0000 O 0 0 -0.8474 4.6567 0.0000 O 0 0 1.6816 4.3771 0.0000 O 0 0 3.3322 0.9808 0.0000 O 0 0 2 1 1 1 1 17 1 0 2 7 1 0 2 3 1 0 3 4 1 0 3 16 1 6 4 5 1 0 4 15 1 1 5 6 1 0 5 14 1 6 6 13 1 0 6 7 1 1 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 M END > ZINC03833817 > 2 $$$$ SciTegic07110717372D 17 18 0 0 0 0 999 V2000 1.0702 -4.4084 0.0000 C 0 0 1.7554 -5.7428 0.0000 C 0 0 2.4499 -4.5430 0.0000 C 0 0 2 0 0 0 2.5235 -3.0440 0.0000 N 0 0 1.2626 -2.2300 0.0000 C 0 0 0.1950 -2.7780 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 1 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 -1.2990 0.7500 0.0000 C 0 0 1 0 0 0 0.0000 1.5000 0.0000 C 0 0 2 0 0 0 1.2990 0.7500 0.0000 O 0 0 1.2999 2.2084 0.0000 C 0 0 2.6000 1.4586 0.0000 O 0 0 -2.5625 -0.0216 0.0000 O 0 0 -1.2626 -2.2300 0.0000 O 0 0 1.2999 -2.2084 0.0000 O 0 0 1 3 1 0 1 2 1 0 2 3 1 0 3 4 1 1 4 5 1 0 5 6 2 0 7 5 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 17 1 6 9 10 1 0 9 16 1 1 10 11 1 0 10 15 1 6 11 12 1 0 11 13 1 1 13 14 1 0 M END > ZINC04134462 > 3 $$$$ SciTegic07110717372D 18 19 0 0 0 0 999 V2000 0.0000 3.0035 0.0000 C 0 0 -1.2988 2.2729 0.0000 C 0 0 -2.3347 2.8787 0.0000 O 0 0 -1.2988 0.7306 0.0000 N 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 1.2785 -0.7509 0.0000 C 0 0 1 0 0 0 1.2785 -2.2526 0.0000 C 0 0 2 0 0 0 0.0000 -3.0238 0.0000 C 0 0 1 0 0 0 -1.2988 -2.2526 0.0000 C 0 0 2 0 0 0 -1.2988 -0.7509 0.0000 O 0 0 -2.5568 -1.4729 0.0000 C 0 0 -3.8971 -2.1483 0.0000 O 0 0 1.3024 -3.7299 0.0000 O 0 0 2.5333 -1.4683 0.0000 O 0 0 2.5386 -1.5274 0.0000 O 0 0 1.2785 0.7306 0.0000 C 0 0 2.3164 0.1283 0.0000 O 0 0 1.2785 2.2729 0.0000 N 0 0 1 18 1 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 1 6 5 6 1 0 5 16 1 0 6 7 1 0 6 15 1 6 7 8 1 0 7 14 1 1 8 9 1 0 8 13 1 6 9 10 1 0 9 11 1 1 11 12 1 0 16 17 2 0 16 18 1 0 M END > ZINC03833813 > 4 $$$$ SciTegic07110717372D 20 21 0 0 0 0 999 V2000 2.5967 1.4871 0.0000 C 0 0 2.6029 2.9870 0.0000 C 0 0 1.3070 3.7424 0.0000 C 0 0 0.0049 2.9977 0.0000 C 0 0 -0.0013 1.4977 0.0000 C 0 0 1.2946 0.7424 0.0000 C 0 0 -1.2934 3.7508 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 -2.5980 1.8039 0.0000 O 0 0 -3.8933 3.7570 0.0000 C 0 0 1 0 0 0 -5.1548 4.5302 0.0000 C 0 0 1 0 0 0 -6.4553 3.7827 0.0000 C 0 0 2 0 0 0 -6.4581 2.2827 0.0000 C 0 0 1 0 0 0 -5.1605 1.5302 0.0000 C 0 0 2 0 0 0 -3.8600 2.2778 0.0000 O 0 0 -3.8619 0.8193 0.0000 C 0 0 -3.7902 -0.6798 0.0000 O 0 0 -7.7201 3.0566 0.0000 O 0 0 -6.4160 5.2626 0.0000 O 0 0 -6.4446 5.2586 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 2 0 10 8 1 6 10 15 1 0 10 11 1 0 11 12 1 0 11 20 1 1 12 13 1 0 12 19 1 6 13 14 1 0 13 18 1 1 14 15 1 0 14 16 1 6 16 17 1 0 M END > ZINC03833802 > 5 $$$$ SciTegic07110717372D 20 21 0 0 0 0 999 V2000 -2.5762 6.0039 0.0000 C 0 0 -3.8792 5.2609 0.0000 C 0 0 -3.8873 3.7609 0.0000 C 0 0 -2.5923 3.0039 0.0000 C 0 0 -1.2892 3.7469 0.0000 C 0 0 -1.2812 5.2469 0.0000 C 0 0 0.0065 2.9895 0.0000 C 0 0 -0.0006 1.4887 0.0000 O 0 0 -2.5973 1.5031 0.0000 O 0 0 -3.8990 0.7562 0.0000 C 0 0 2 0 0 0 -5.1998 0.0511 0.0000 C 0 0 1 0 0 0 -5.2036 -1.4489 0.0000 C 0 0 2 0 0 0 -3.9065 -2.2021 0.0000 C 0 0 1 0 0 0 -2.6056 -1.4554 0.0000 C 0 0 2 0 0 0 -2.6018 0.0446 0.0000 O 0 0 -1.3401 -0.6871 0.0000 C 0 0 -1.3357 0.8138 0.0000 O 0 0 -5.2082 -2.9073 0.0000 O 0 0 -6.4652 -0.6741 0.0000 O 0 0 -6.4761 -0.7008 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 5 7 1 0 7 8 1 0 10 9 1 1 10 15 1 0 10 11 1 0 11 12 1 0 11 20 1 1 12 13 1 0 12 19 1 6 13 14 1 0 13 18 1 1 14 15 1 0 14 16 1 6 16 17 1 0 M END > ZINC03833798 > 6 $$$$ SciTegic07110717372D 21 23 0 0 0 0 999 V2000 6.5510 5.9849 0.0000 C 0 0 7.8604 5.2633 0.0000 C 0 0 7.8974 3.7440 0.0000 C 0 0 6.6020 2.9799 0.0000 C 0 0 5.2926 3.7015 0.0000 C 0 0 5.2468 5.2048 0.0000 C 0 0 4.2070 2.6760 0.0000 C 0 0 4.8225 1.3376 0.0000 C 0 0 6.3147 1.5144 0.0000 N 0 0 4.0872 0.0320 0.0000 O 0 0 4.8506 -1.2602 0.0000 C 0 0 1 0 0 0 5.6337 -2.5155 0.0000 C 0 0 1 0 0 0 4.8965 -3.8218 0.0000 C 0 0 2 0 0 0 3.3965 -3.8365 0.0000 C 0 0 1 0 0 0 2.6339 -2.5449 0.0000 C 0 0 2 0 0 0 3.3711 -1.2386 0.0000 O 0 0 1.9127 -1.2520 0.0000 C 0 0 2.6498 0.0554 0.0000 O 0 0 4.1804 -5.0924 0.0000 O 0 0 6.3760 -3.7709 0.0000 O 0 0 6.3723 -3.7995 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 11 10 1 1 11 16 1 0 11 12 1 0 12 13 1 0 12 21 1 6 13 14 1 0 13 20 1 1 14 15 1 0 14 19 1 6 15 16 1 0 15 17 1 1 17 18 1 0 M END > ZINC03833805 > 7 $$$$ SciTegic07110717372D 22 23 0 0 0 0 999 V2000 -1.2995 -5.2508 0.0000 C 0 0 -1.2995 -3.7508 0.0000 C 0 0 -2.5985 -3.0008 0.0000 C 0 0 -3.8976 -3.7508 0.0000 C 0 0 -3.8976 -5.2508 0.0000 C 0 0 -2.5985 -6.0008 0.0000 C 0 0 -5.1973 -3.0004 0.0000 C 0 0 -5.1983 -1.4996 0.0000 O 0 0 -6.4980 -0.7492 0.0000 C 0 0 -7.5371 -1.3495 0.0000 O 0 0 -6.4990 0.7516 0.0000 N 0 0 -7.7988 1.5020 0.0000 C 0 0 1 0 0 0 -9.0977 2.2105 0.0000 C 0 0 1 0 0 0 -9.0975 3.7105 0.0000 C 0 0 2 0 0 0 -7.7983 4.4603 0.0000 C 0 0 1 0 0 0 -6.4994 3.7101 0.0000 C 0 0 2 0 0 0 -6.4996 2.2101 0.0000 O 0 0 -5.2360 2.9384 0.0000 C 0 0 -3.9005 3.6231 0.0000 O 0 0 -9.0981 5.1690 0.0000 O 0 0 -10.3611 2.9392 0.0000 O 0 0 -10.3719 2.9659 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 11 1 1 12 17 1 0 12 13 1 0 13 14 1 0 13 22 1 6 14 15 1 0 14 21 1 1 15 16 1 0 15 20 1 6 16 17 1 0 16 18 1 1 18 19 1 0 M END > ZINC03833810 > 8 $$$$ SciTegic07110717372D 28 29 0 0 0 0 999 V2000 3.8990 -0.7508 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 O 0 0 0.0031 3.0008 0.0000 C 0 0 1.0432 3.5994 0.0000 O 0 0 -1.2643 2.2302 0.0000 C 0 0 -2.5453 3.0105 0.0000 C 0 0 -2.5101 4.5101 0.0000 C 0 0 -1.1938 5.2294 0.0000 C 0 0 0.0872 4.4491 0.0000 C 0 0 0.0520 2.9495 0.0000 C 0 0 1.0769 2.3253 0.0000 Cl 0 0 -2.5972 -1.5031 0.0000 C 0 0 -3.6375 -0.9049 0.0000 O 0 0 -2.5951 -3.0039 0.0000 O 0 0 -3.8933 -3.7570 0.0000 C 0 0 1 0 0 0 -3.8912 -5.2578 0.0000 C 0 0 -2.5684 -4.5222 0.0000 C 0 0 0.0000 -3.0008 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 5 -1.0351 3.6026 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 5 2 0 4 26 1 0 5 6 1 0 5 20 1 0 6 7 1 0 6 13 1 1 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 9 27 1 0 11 12 2 0 11 28 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 6 23 25 1 0 M CHG 2 27 -1 28 -1 M END > ZINC03993547 > 9 $$$$ SciTegic07110717372D 30 33 0 0 0 0 999 V2000 4.7574 6.5471 0.0000 C 0 0 4.0233 5.2390 0.0000 C 0 0 4.7891 3.9492 0.0000 C 0 0 6.2890 3.9675 0.0000 C 0 0 7.0231 5.2756 0.0000 C 0 0 6.2573 6.5654 0.0000 C 0 0 7.0552 2.6770 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 1 0 0 0 7.7672 0.8667 0.0000 C 0 0 8.6741 1.6525 0.0000 O 0 0 8.0515 -0.6069 0.0000 N 0 0 7.1987 -1.7968 0.0000 C 0 0 8.4393 -2.6399 0.0000 C 0 0 2 0 0 0 9.2824 -1.3992 0.0000 C 0 0 7.3016 -3.6132 0.0000 C 0 0 6.1682 -3.2191 0.0000 O 0 0 4.8208 1.3475 0.0000 N 0 0 4.0872 0.0382 0.0000 C 0 0 4.7008 -0.9930 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.3560 1.3452 0.0000 Cl 0 0 7.5266 -4.7920 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 8 7 1 1 8 9 1 0 8 17 1 0 9 10 2 0 9 11 1 0 11 14 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 6 15 16 2 0 15 30 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 28 1 0 20 21 2 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 29 1 0 25 26 2 0 26 27 1 0 27 28 1 0 M CHG 1 30 -1 M END > ZINC02046793 > 10 $$$$