SciTegic07110717472D 17 19 0 0 0 0 999 V2000 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 5.0356 -1.3582 0.0000 O 0 0 5.0387 1.5727 0.0000 O 0 0 -2.5225 -2.8202 0.0000 O 0 0 -4.9998 -1.3577 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 17 1 0 4 5 2 0 4 16 1 0 5 13 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 15 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 1 0 M END > ZINC03834105 > 1 $$$$ SciTegic07110717472D 18 20 0 0 0 0 999 V2000 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -5.0029 1.5722 0.0000 O 0 0 -5.0029 -1.3524 0.0000 O 0 0 0.0000 -1.3190 0.0000 N 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 2.4732 -1.3190 0.0000 C 0 0 2.4670 -2.8205 0.0000 O 0 0 5.0356 -1.3582 0.0000 O 0 0 2.4694 2.7388 0.0000 Br 0 0 1 6 2 0 1 2 1 0 2 11 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 5 6 1 0 5 8 1 0 6 7 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 M END > ZINC03834098 > 1 $$$$ SciTegic07110717472D 17 19 0 0 0 0 999 V2000 -6.4967 0.7456 0.0000 C 0 0 -5.1981 1.4978 0.0000 O 0 0 -3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 -1.2989 0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 C 0 0 0.0000 1.5002 0.0000 N 0 0 1.2806 0.7501 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 2.5978 -1.5002 0.0000 C 0 0 2.6015 -2.7002 0.0000 O 0 0 3.8968 -0.7501 0.0000 N 0 0 3.8968 0.7501 0.0000 C 0 0 2.5978 1.5002 0.0000 N 0 0 0.0000 -1.5002 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 17 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 16 1 0 10 11 2 0 11 12 1 0 11 17 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 M END > ZINC04617936 > 2 $$$$ SciTegic07110717472D 19 21 0 0 0 0 999 V2000 -5.1928 3.0040 0.0000 C 0 0 -5.1950 1.5032 0.0000 O 0 0 -3.8968 0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 C 0 0 -1.2989 0.7501 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 -5.1950 -1.5032 0.0000 O 0 0 -5.1928 -3.0040 0.0000 C 0 0 0.0000 -1.5002 0.0000 N 0 0 1.2806 -0.7501 0.0000 C 0 0 1.2806 0.7501 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 2.6015 2.7002 0.0000 O 0 0 3.8968 0.7501 0.0000 N 0 0 3.8968 -0.7501 0.0000 C 0 0 2.5978 -1.5002 0.0000 N 0 0 0.0000 1.5002 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 19 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 19 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 M END > ZINC04617935 > 2 $$$$ SciTegic07110717472D 17 19 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 O 0 0 -3.6187 -1.4919 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 M END > ZINC03832355 > 3 $$$$ SciTegic07110717472D 19 21 0 0 0 0 999 V2000 -2.1332 0.6928 0.0000 C 0 0 -3.4277 0.0000 0.0000 C 0 0 -3.4277 -1.5498 0.0000 C 0 0 -2.1332 -2.2973 0.0000 C 0 0 -0.8205 -1.5498 0.0000 C 0 0 -0.8205 0.0000 0.0000 C 0 0 0.4558 0.6928 0.0000 C 0 0 0.4558 2.1879 0.0000 C 0 0 1.7503 2.9537 0.0000 C 0 0 3.0631 2.1879 0.0000 C 0 0 3.0631 0.6928 0.0000 C 0 0 1.7503 0.0000 0.0000 C 0 0 1.7503 -1.5498 0.0000 N 0 0 0.4558 -2.2973 0.0000 C 0 0 0.4521 -3.4973 0.0000 O 0 0 4.3693 2.9269 0.0000 O 0 0 1.7447 4.4542 0.0000 O 0 0 -2.1451 -3.7981 0.0000 O 0 0 -4.7184 -2.3153 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 4 18 1 0 5 14 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 17 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 M END > ZINC03815814 > 4 $$$$ SciTegic07110717472D 20 22 0 0 0 0 999 V2000 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 2 0 0 0 -3.9086 1.5029 0.0000 C 0 0 1 0 0 0 -5.2071 0.7519 0.0000 C 0 0 2 0 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2063 -0.4481 0.0000 Cl 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 1 0 0 0 -3.9122 -1.4966 0.0000 N 0 0 3.8942 -1.4964 0.0000 N 0 0 -2.8709 3.6035 0.0000 Cl 0 0 -1.2964 -1.4973 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 4 3 1 6 3 19 1 1 4 5 1 0 4 8 1 0 5 6 1 0 5 7 1 1 8 16 1 0 8 9 1 1 10 9 1 4 10 15 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 18 1 4 15 14 1 4 15 20 1 0 16 17 1 6 16 20 1 0 M END > ZINC03834102 > 5 $$$$ SciTegic07110717472D 21 23 0 0 0 0 999 V2000 1.2964 2.9981 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 2 0 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 3.8926 -1.4990 0.0000 C 0 0 2 0 0 0 3.8904 -2.9990 0.0000 C 0 0 2 0 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 3 0 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 10 1 0 3 2 1 6 3 7 1 0 3 4 1 0 4 5 1 0 5 20 1 4 5 21 1 0 7 6 1 1 6 21 1 0 7 8 1 0 8 9 2 0 9 10 1 0 12 9 1 1 10 11 2 0 12 17 1 0 12 13 1 0 13 14 1 0 13 19 1 6 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 4 M END > ZINC03815550 > 5 $$$$ SciTegic07110717472D 21 23 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03834089 > 5 $$$$ SciTegic07110717472D 22 24 0 0 0 0 999 V2000 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 3.8904 -2.9990 0.0000 C 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 13 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 15 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 14 1 0 12 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 16 22 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 M END > ZINC03834104 > 5 $$$$ SciTegic07110717472D 22 24 0 0 0 0 999 V2000 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 2 0 0 0 3.8904 -2.9990 0.0000 C 0 0 2 0 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 3 0 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 1 3 4 1 0 3 22 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 4 6 21 1 0 7 8 2 0 8 9 1 0 13 8 1 1 9 10 2 0 9 11 1 0 11 12 1 0 13 18 1 0 13 14 1 0 14 15 1 0 14 20 1 6 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 4 21 22 1 0 M END > ZINC03815531 > 5 $$$$ SciTegic07110717472D 22 24 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 21 2 0 4 5 1 0 5 6 1 0 5 18 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815557 > 5 $$$$ SciTegic07110717472D 23 25 0 0 0 0 999 V2000 -2.5735 -5.2578 0.0000 C 0 0 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 9 1 0 4 5 1 0 5 22 2 0 5 6 1 0 6 7 1 0 6 19 2 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 11 16 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M END > ZINC03815554 > 5 $$$$ SciTegic07110717472D 23 25 0 0 0 0 999 V2000 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 3.8904 -2.9990 0.0000 C 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 14 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 16 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 15 1 0 13 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 17 23 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC03815571 > 5 $$$$ SciTegic07110717472D 24 26 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 5.1850 -5.2565 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M END > ZINC03834090 > 5 $$$$ SciTegic07110717472D 24 26 0 0 0 0 999 V2000 -3.8683 -6.0168 0.0000 C 0 0 -2.5735 -5.2578 0.0000 C 0 0 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 10 1 0 5 6 1 0 6 23 2 0 6 7 1 0 7 8 1 0 7 20 2 0 8 9 2 0 9 10 1 0 9 12 1 0 10 11 2 0 12 17 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC03815560 > 5 $$$$ SciTegic07110717472D 24 26 0 0 0 0 999 V2000 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2063 -0.4481 0.0000 Cl 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -1.2876 -2.9981 0.0000 C 0 0 0.0161 -3.7416 0.0000 C 0 0 0.0250 -5.2424 0.0000 C 0 0 1.3288 -5.9859 0.0000 O 0 0 3.8911 -1.5017 0.0000 N 0 0 -2.8709 3.6035 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 7 1 0 8 17 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 19 1 0 17 18 2 0 19 20 1 0 20 21 1 0 21 22 1 0 M END > ZINC03815548 > 5 $$$$ SciTegic07110717472D 24 26 0 0 0 0 999 V2000 -2.5735 -5.2578 0.0000 C 0 0 -2.5824 -3.7570 0.0000 C 0 0 1 0 0 0 -3.8867 -3.0148 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 2 1 1 1 2 3 1 0 2 4 1 0 4 5 1 0 5 10 1 0 5 6 1 0 6 23 2 0 6 7 1 0 7 8 1 0 7 20 2 0 8 9 2 0 9 10 1 0 9 12 1 0 10 11 2 0 12 17 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC03815553 > 5 $$$$ SciTegic07110717472D 25 27 0 0 0 0 999 V2000 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -5.2049 3.7560 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -2.8664 3.6008 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 2 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 N 0 0 3.8942 1.4964 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 1 0 0 0 -5.2071 -0.7519 0.0000 C 0 0 1 0 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 2 0 0 0 -2.8709 -3.6035 0.0000 Cl 0 0 -5.2063 0.4481 0.0000 Cl 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 7 6 1 1 7 15 1 0 7 8 1 0 8 9 1 6 17 8 1 6 10 9 1 4 10 14 1 0 10 11 1 0 11 25 1 0 12 13 1 0 12 16 1 4 12 25 1 0 13 14 1 0 14 15 1 4 17 22 1 0 17 18 1 0 18 19 1 0 18 24 1 1 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 M END > ZINC03815522 > 5 $$$$ SciTegic07110717472D 25 27 0 0 0 0 999 V2000 -3.8683 -6.0168 0.0000 C 0 0 -2.5735 -5.2578 0.0000 O 0 0 -2.5824 -3.7570 0.0000 C 0 0 -3.6254 -3.1636 0.0000 O 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 11 1 0 6 7 1 0 7 24 2 0 7 8 1 0 8 9 1 0 8 21 2 0 9 10 2 0 10 11 1 0 10 13 1 0 11 12 2 0 13 18 2 0 13 14 1 0 14 15 2 0 14 20 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M END > ZINC03834091 > 5 $$$$ SciTegic07110717472D 26 28 0 0 0 0 999 V2000 -3.8593 -7.5176 0.0000 C 0 0 -5.1726 -5.2746 0.0000 C 0 0 -2.5735 -5.2578 0.0000 C 0 0 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 -3.8683 -6.0168 0.0000 N 0 3 1 26 1 0 2 26 1 0 3 4 1 0 3 26 1 0 4 5 1 0 5 6 1 0 6 11 1 0 6 7 1 0 7 24 2 0 7 8 1 0 8 9 1 0 8 21 2 0 9 10 2 0 10 11 1 0 10 13 1 0 11 12 2 0 13 18 2 0 13 14 1 0 14 15 2 0 14 20 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M CHG 1 26 1 M END > ZINC03815567 > 5 $$$$ SciTegic07110717472D 26 28 0 0 0 0 999 V2000 -2.6105 3.7541 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -2.8664 -3.6008 0.0000 O 0 0 -5.2049 -3.7560 0.0000 N 0 0 -5.2025 -5.2568 0.0000 C 0 0 1 0 0 0 -6.5006 -6.0101 0.0000 C 0 0 -6.5304 -4.4968 0.0000 C 0 0 -3.9014 -6.0048 0.0000 C 0 0 3.8911 -1.5017 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 10 2 0 10 15 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 26 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 22 21 1 1 22 23 1 0 22 24 1 0 22 25 1 0 M END > ZINC03834094 > 5 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 2 0 0 0 -3.9014 6.0048 0.0000 C 0 0 -5.1975 6.7868 0.0000 C 0 0 -5.2049 3.7560 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -2.8664 3.6008 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.8911 1.5017 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -2.8709 -3.6035 0.0000 F 0 0 -5.2063 0.4481 0.0000 F 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 11 2 0 10 20 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 1 0 20 25 2 0 20 21 1 0 21 22 2 0 21 27 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 M END > ZINC03815511 > 5 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 2 0 0 0 -3.9014 6.0048 0.0000 C 0 0 -5.1975 6.7868 0.0000 C 0 0 -5.2049 3.7560 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -2.8664 3.6008 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 2 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 N 0 0 3.8942 1.4964 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 1 0 0 0 -5.2071 -0.7519 0.0000 C 0 0 1 0 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 2 0 0 0 -2.8709 -3.6035 0.0000 Cl 0 0 -5.2063 0.4481 0.0000 Cl 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 6 1 0 6 7 2 0 6 8 1 0 9 8 1 1 9 17 1 0 9 10 1 0 10 11 1 6 19 10 1 6 12 11 1 4 12 16 1 0 12 13 1 0 13 27 1 0 14 15 1 0 14 18 1 4 14 27 1 0 15 16 1 0 16 17 1 4 19 24 1 0 19 20 1 0 20 21 1 0 20 26 1 1 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 1 M END > ZINC03815515 > 5 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 2 0 0 0 -3.9014 6.0048 0.0000 C 0 0 -5.1975 6.7868 0.0000 C 0 0 -5.2049 3.7560 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -2.8664 3.6008 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.8911 1.5017 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -2.8709 -3.6035 0.0000 Br 0 0 -5.2063 0.4481 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 11 2 0 10 20 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 1 0 20 25 2 0 20 21 1 0 21 22 2 0 21 27 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 M END > ZINC03815526 > 5 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -5.2049 3.7560 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -2.8664 3.6008 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.8911 1.5017 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2072 -5.2527 0.0000 O 0 0 -3.9069 -6.0022 0.0000 C 0 0 -7.8075 -0.7523 0.0000 O 0 0 -9.1067 -1.5036 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 16 2 0 7 8 1 0 8 9 2 0 8 18 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 17 1 0 14 15 1 0 15 16 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 26 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 26 27 1 0 M END > ZINC03815518 > 5 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 2 0 0 0 -3.9014 6.0048 0.0000 C 0 0 -5.1975 6.7868 0.0000 C 0 0 -5.2049 3.7560 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -2.8664 3.6008 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.8911 1.5017 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -2.8709 -3.6035 0.0000 Cl 0 0 -5.2063 0.4481 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 11 2 0 10 20 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 1 0 20 25 2 0 20 21 1 0 21 22 2 0 21 27 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 M END > ZINC03815345 > 5 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 -2.6105 3.7541 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7643 0.0000 C 0 0 -1.3190 -1.5204 0.0000 C 0 0 -1.3281 -3.0174 0.0000 C 0 0 -0.0360 -3.7735 0.0000 N 0 0 1.2651 -3.0326 0.0000 C 0 0 1.2742 -1.5356 0.0000 N 0 0 -0.0179 -0.7795 0.0000 C 0 0 -0.0089 0.7176 0.0000 N 0 0 -1.3100 1.4896 0.0000 C 0 0 -0.7852 2.8955 0.0000 N 0 0 0.6948 3.1450 0.0000 C 0 0 1.4589 2.2198 0.0000 O 0 0 1.2195 4.5511 0.0000 N 0 0 2.6995 4.8006 0.0000 C 0 0 1 0 0 0 3.2242 6.2067 0.0000 C 0 0 1.7274 5.9821 0.0000 C 0 0 3.6551 3.6435 0.0000 C 0 0 2.5620 -3.7881 0.0000 N 0 0 -5.2061 -0.7490 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 27 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 10 2 0 10 15 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 26 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 22 21 1 6 22 23 1 0 22 24 1 0 22 25 1 0 M END > ZINC03815368 > 5 $$$$ SciTegic07110717472D 28 30 0 0 0 0 999 V2000 -3.8593 -7.5176 0.0000 C 0 0 -3.8683 -6.0168 0.0000 C 0 0 2 0 0 0 -5.1726 -5.2746 0.0000 C 0 0 -5.1895 -6.7882 0.0000 C 0 0 -2.5735 -5.2578 0.0000 O 0 0 -2.5824 -3.7570 0.0000 C 0 0 -3.6254 -3.1636 0.0000 O 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 1 0 9 10 1 0 10 27 2 0 10 11 1 0 11 12 1 0 11 24 2 0 12 13 2 0 13 14 1 0 13 16 1 0 14 15 2 0 16 21 2 0 16 17 1 0 17 18 2 0 17 23 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 M END > ZINC03834096 > 5 $$$$ SciTegic07110717472D 28 30 0 0 0 0 999 V2000 -7.8080 3.7505 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2061 -0.7490 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7643 0.0000 C 0 0 -1.3190 -1.5204 0.0000 C 0 0 -1.3281 -3.0174 0.0000 C 0 0 -0.0360 -3.7735 0.0000 N 0 0 1.2651 -3.0326 0.0000 C 0 0 1.2742 -1.5356 0.0000 N 0 0 -0.0179 -0.7795 0.0000 C 0 0 -0.0089 0.7176 0.0000 N 0 0 -1.3100 1.4896 0.0000 C 0 0 -0.7852 2.8955 0.0000 N 0 0 0.6948 3.1450 0.0000 C 0 0 1.4589 2.2198 0.0000 O 0 0 1.2195 4.5511 0.0000 N 0 0 2.6995 4.8006 0.0000 C 0 0 1 0 0 0 3.2242 6.2067 0.0000 C 0 0 1.7274 5.9821 0.0000 C 0 0 3.6551 3.6435 0.0000 C 0 0 2.5620 -3.7881 0.0000 N 0 0 -2.6105 3.7541 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 28 1 0 5 6 2 0 5 9 1 0 6 7 1 0 6 8 1 0 9 18 2 0 9 10 1 0 10 11 2 0 11 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 27 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 23 22 1 6 23 24 1 0 23 25 1 0 23 26 1 0 M END > ZINC03815539 > 5 $$$$ SciTegic07110717472D 29 31 0 0 0 0 999 V2000 -11.7121 1.4840 0.0000 C 0 0 -10.4109 0.7361 0.0000 C 0 0 -9.1145 2.9889 0.0000 C 0 0 -10.4150 3.7381 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 2 0 0 0 3.8904 -2.9990 0.0000 C 0 0 2 0 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 3 0 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 -1.2964 -1.4973 0.0000 C 0 0 -9.1121 1.4882 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 28 1 0 3 4 1 0 3 28 1 0 5 6 1 0 5 28 1 0 6 7 1 0 7 8 1 0 9 8 1 4 9 10 1 0 9 29 1 0 11 10 1 6 11 17 1 0 11 12 1 0 12 13 1 1 12 27 1 0 13 14 2 0 14 15 1 0 19 14 1 1 15 16 2 0 15 17 1 0 17 18 1 0 19 24 1 0 19 20 1 0 20 21 1 0 20 26 1 6 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 4 27 29 1 0 M CHG 1 28 1 M END > ZINC03815521 > 5 $$$$ SciTegic07110717472D 29 31 0 0 0 0 999 V2000 -13.0109 0.7319 0.0000 C 0 0 -11.7121 1.4840 0.0000 C 0 0 -10.4085 -0.7647 0.0000 C 0 0 -9.1080 -1.5138 0.0000 C 0 0 -9.1121 1.4882 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 3.8926 -1.4990 0.0000 C 0 0 2 0 0 0 3.8904 -2.9990 0.0000 C 0 0 2 0 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 3 0 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 -1.2964 -1.4973 0.0000 C 0 0 -10.4109 0.7361 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 28 1 0 3 4 1 0 3 28 1 0 5 6 1 0 5 28 1 0 6 7 1 0 7 8 1 0 8 9 1 0 10 9 1 4 10 11 1 0 10 29 1 0 12 11 1 4 12 18 1 0 12 13 1 0 13 14 1 1 13 27 1 0 14 15 2 0 15 16 1 0 19 15 1 1 16 17 2 0 16 18 1 0 19 24 1 0 19 20 1 0 20 21 1 0 20 26 1 6 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 4 27 29 1 0 M CHG 1 28 1 M END > ZINC02006382 > 5 $$$$ SciTegic07110717472D 29 31 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 6.4832 -6.0096 0.0000 C 0 0 6.4811 -7.5104 0.0000 C 0 0 7.7793 -8.2635 0.0000 C 0 0 7.7776 -9.4635 0.0000 O 0 0 8.8196 -7.6653 0.0000 O 0 5 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 M CHG 1 29 -1 M END > ZINC03815559 > 5 $$$$ SciTegic07110717472D 29 31 0 0 0 0 999 V2000 -11.7121 1.4840 0.0000 C 0 0 -10.4109 0.7361 0.0000 C 0 0 -9.1145 2.9889 0.0000 C 0 0 -10.4150 3.7381 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 3.8904 -2.9990 0.0000 C 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 -9.1121 1.4882 0.0000 N 0 3 1 2 1 0 2 29 1 0 3 4 1 0 3 29 1 0 5 6 1 0 5 29 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 21 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 20 1 0 18 19 1 0 21 26 2 0 21 22 1 0 22 23 2 0 22 28 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 M CHG 1 29 1 M END > ZINC03834108 > 5 $$$$ SciTegic07110717472D 22 24 0 0 0 0 999 V2000 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 1.2995 2.9981 0.0000 O 0 0 -3.9091 -1.5019 0.0000 C 0 0 -4.9494 -0.9039 0.0000 O 0 0 -3.9067 -3.0027 0.0000 N 0 0 -5.2049 -3.7560 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5003 -7.5071 0.0000 O 0 0 1 2 2 0 2 11 1 0 2 3 1 0 3 4 2 0 3 13 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 12 1 0 10 11 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03834086 > 6 $$$$ SciTegic07110717472D 23 25 0 0 0 0 999 V2000 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 3.8911 1.5017 0.0000 O 0 0 1.2995 -2.9981 0.0000 O 0 0 -3.9091 -1.5019 0.0000 C 0 0 -4.9494 -0.9039 0.0000 O 0 0 -3.9067 -3.0027 0.0000 N 0 0 -5.2049 -3.7560 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -9.1009 -6.0097 0.0000 O 0 0 1 2 2 0 2 11 1 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 6 13 1 0 7 8 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 M END > ZINC03834097 > 6 $$$$ SciTegic07110717472D 23 25 0 0 0 0 999 V2000 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 1.2995 2.9981 0.0000 O 0 0 3.8911 1.5017 0.0000 O 0 0 -3.9091 -1.5019 0.0000 C 0 0 -4.9494 -0.9039 0.0000 O 0 0 -3.9067 -3.0027 0.0000 N 0 0 -5.2049 -3.7560 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5003 -7.5071 0.0000 O 0 0 1 2 2 0 2 11 1 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 9 12 1 0 10 11 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M END > ZINC03834101 > 6 $$$$ SciTegic07110717472D 22 25 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC01609260 > 7 $$$$ SciTegic07110717472D 23 26 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 2.6440 -2.3810 0.0000 C 0 0 4.1081 -2.0466 0.0000 C 0 0 5.1250 -3.1493 0.0000 C 0 0 4.6784 -4.5813 0.0000 C 0 0 3.2150 -4.9106 0.0000 C 0 0 2.1981 -3.8079 0.0000 C 0 0 2.8578 -6.0562 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M END > ZINC03815377 > 7 $$$$ SciTegic07110717472D 24 27 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 0.5999 -6.8069 0.0000 C 0 0 1.9329 -7.4965 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 23 24 1 0 M END > ZINC03815376 > 7 $$$$ SciTegic07110717472D 24 27 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 -2.0662 -5.4296 0.0000 C 0 0 -1.9970 -6.9289 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 M END > ZINC03815366 > 7 $$$$ SciTegic07110717472D 24 27 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 -2.2058 -2.4305 0.0000 C 0 0 -2.2751 -0.9313 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 M END > ZINC03832353 > 7 $$$$ SciTegic07110717472D 24 27 0 0 0 0 999 V2000 4.6914 7.4149 0.0000 C 0 0 3.2494 6.9990 0.0000 O 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC01609268 > 7 $$$$ SciTegic07110717472D 24 27 0 0 0 0 999 V2000 0.7272 7.6230 0.0000 C 0 0 0.3664 6.1662 0.0000 O 0 0 1.4470 5.1246 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815351 > 7 $$$$ SciTegic07110717472D 26 29 0 0 0 0 999 V2000 0.7272 7.6230 0.0000 C 0 0 0.3664 6.1662 0.0000 O 0 0 1.4470 5.1246 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 -2.0662 -5.4296 0.0000 C 0 0 -1.9970 -6.9289 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 M END > ZINC03815391 > 7 $$$$ SciTegic07110717472D 27 30 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 0.5999 -6.8069 0.0000 C 0 0 2.0031 -8.9957 0.0000 C 0 0 3.3361 -9.6853 0.0000 C 0 0 3.4063 -11.1845 0.0000 O 0 0 1.9329 -7.4965 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 23 27 1 0 24 25 1 0 24 27 1 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03832343 > 7 $$$$ SciTegic07110717472D 27 30 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 -2.0662 -5.4296 0.0000 C 0 0 -3.2602 -7.7392 0.0000 C 0 0 -3.1910 -9.2385 0.0000 C 0 0 -4.4542 -10.0489 0.0000 O 0 0 -1.9970 -6.9289 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 27 1 0 24 25 1 0 24 27 1 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03832342 > 7 $$$$ SciTegic07110717472D 29 32 0 0 0 0 999 V2000 0.7272 7.6230 0.0000 C 0 0 0.3664 6.1662 0.0000 O 0 0 1.4470 5.1246 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 0.5999 -6.8069 0.0000 C 0 0 2.0031 -8.9957 0.0000 C 0 0 3.3361 -9.6853 0.0000 C 0 0 3.4063 -11.1845 0.0000 O 0 0 1.9329 -7.4965 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 25 29 1 0 26 27 1 0 26 29 1 0 27 28 1 0 M CHG 1 29 1 M END > ZINC03815323 > 7 $$$$ SciTegic07110717472D 31 34 0 0 0 0 999 V2000 3.9646 9.9146 0.0000 C 0 0 2.1643 8.0397 0.0000 C 0 0 3.2464 6.9997 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 2.6440 -2.3810 0.0000 C 0 0 4.1081 -2.0466 0.0000 C 0 0 5.1250 -3.1493 0.0000 C 0 0 4.6784 -4.5813 0.0000 C 0 0 3.2150 -4.9106 0.0000 C 0 0 2.1981 -3.8079 0.0000 C 0 0 2.7653 -6.3425 0.0000 O 0 0 1.3006 -6.6698 0.0000 C 0 0 1.4410 10.5371 0.0000 C 0 0 1.7997 11.9944 0.0000 C 0 0 0.7177 13.0344 0.0000 O 0 0 2.5231 9.4971 0.0000 N 0 3 1 31 1 0 2 3 1 0 2 31 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 28 29 1 0 28 31 1 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03815324 > 7 $$$$ SciTegic07110717472D 31 34 0 0 0 0 999 V2000 0.7272 7.6230 0.0000 C 0 0 0.3664 6.1662 0.0000 O 0 0 1.4470 5.1246 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.2531 1.4471 0.0000 C 0 0 1.6702 0.0342 0.0000 C 0 0 0.4300 -0.8143 0.0000 N 0 0 -0.7504 0.1003 0.0000 C 0 0 -0.2391 1.5052 0.0000 C 0 0 -1.1936 2.6675 0.0000 C 0 0 -2.6890 2.3969 0.0000 N 0 0 -3.2003 0.9921 0.0000 C 0 0 -2.2287 -0.1765 0.0000 N 0 0 -0.6751 4.0756 0.0000 N 0 0 0.3856 -2.3144 0.0000 C 0 0 1.7221 -2.9994 0.0000 C 0 0 1.7922 -4.4978 0.0000 C 0 0 0.5297 -5.3077 0.0000 C 0 0 -0.8030 -4.6193 0.0000 C 0 0 -0.8731 -3.1209 0.0000 C 0 0 0.5999 -6.8069 0.0000 C 0 0 1.9329 -7.4965 0.0000 C 0 0 2.9431 -6.8489 0.0000 O 0 0 2.0031 -8.9957 0.0000 N 0 0 3.3361 -9.6853 0.0000 C 0 0 3.4063 -11.1845 0.0000 C 0 0 4.7392 -11.8742 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 M END > ZINC03815390 > 7 $$$$ SciTegic07110717472D 22 25 0 0 0 0 999 V2000 3.1270 0.0000 0.0000 C 0 0 1.6643 -0.5800 0.0000 C 0 0 0.6052 0.5296 0.0000 C 0 0 -0.8322 0.1513 0.0000 C 0 0 -1.8409 1.2861 0.0000 C 0 0 -3.3035 0.9078 0.0000 C 0 0 -3.7574 -0.5043 0.0000 C 0 0 -2.7487 -1.6391 0.0000 C 0 0 -1.2861 -1.2609 0.0000 C 0 0 0.0000 -2.3956 0.0000 O 0 0 1.2104 -2.0174 0.0000 C 0 0 2.0577 -2.8672 0.0000 O 0 0 -3.1867 -3.0738 0.0000 O 0 0 -5.2274 -0.8077 0.0000 O 0 0 -1.3870 2.7235 0.0000 C 0 0 -2.2146 3.5924 0.0000 O 0 0 0.0504 3.1017 0.0000 O 0 0 1.1096 1.9670 0.0000 C 0 0 2.5722 2.3452 0.0000 C 0 0 3.5809 1.2104 0.0000 C 0 0 5.0665 1.4267 0.0000 O 0 0 3.0102 3.7799 0.0000 O 0 0 1 20 2 0 1 2 1 0 2 11 1 0 2 3 2 0 3 18 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 5 15 1 0 6 7 1 0 7 8 2 0 7 14 1 0 8 9 1 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 2 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 22 1 0 20 21 1 0 M END > ZINC00058174 > 8 $$$$ SciTegic07110717472D 23 26 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 C 0 0 -3.6251 -2.6919 0.0000 O 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.7467 -1.9163 0.0000 C 0 0 6.0413 -2.6606 0.0000 C 0 0 5.7273 -4.1223 0.0000 C 0 0 4.2412 -4.2692 0.0000 N 0 0 6.8321 -5.1428 0.0000 C 0 0 8.2764 -4.6699 0.0000 C 0 0 8.5904 -3.2082 0.0000 C 0 0 7.4678 -2.1838 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 1.7138 1.2033 0.0000 N 0 0 -4.6549 -0.8867 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 22 1 0 3 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 23 1 0 9 10 2 0 9 20 1 0 10 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 20 21 2 0 20 22 1 0 M CHG 1 23 -1 M END > ZINC03815543 > 9 $$$$ SciTegic07110717472D 24 27 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6202 -1.4892 0.0000 S 0 0 1 0 0 0 -3.6279 -2.6892 0.0000 O 0 0 -4.6632 -2.0826 0.0000 O 0 0 -4.9153 -0.7308 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.7467 -1.9163 0.0000 C 0 0 6.0413 -2.6606 0.0000 C 0 0 5.7273 -4.1223 0.0000 C 0 0 4.2412 -4.2692 0.0000 N 0 0 6.8321 -5.1428 0.0000 C 0 0 8.2764 -4.6699 0.0000 C 0 0 8.5904 -3.2082 0.0000 C 0 0 7.4678 -2.1838 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 1.7138 1.2033 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 24 1 0 3 4 1 0 4 5 2 0 4 11 1 0 5 6 1 0 7 6 1 1 7 8 2 0 7 9 2 0 7 10 1 0 11 12 2 0 11 22 1 0 12 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 22 23 2 0 22 24 1 0 M END > ZINC03815533 > 9 $$$$ SciTegic07110717472D 28 31 0 0 0 0 999 V2000 -3.2842 -3.9357 0.0000 C 0 0 -2.3831 -5.1594 0.0000 C 0 0 -0.8910 -4.9701 0.0000 C 0 0 -0.2979 -3.5977 0.0000 C 0 0 -1.1823 -2.3813 0.0000 C 0 0 -2.6911 -2.5634 0.0000 C 0 0 -3.5920 -1.3630 0.0000 C 0 0 -3.1218 -0.2590 0.0000 O 0 0 1.1883 -3.7436 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.7467 -1.9163 0.0000 C 0 0 6.0413 -2.6606 0.0000 C 0 0 5.7273 -4.1223 0.0000 C 0 0 4.2412 -4.2692 0.0000 N 0 0 6.8321 -5.1428 0.0000 C 0 0 8.2764 -4.6699 0.0000 C 0 0 8.5904 -3.2082 0.0000 C 0 0 7.4678 -2.1838 0.0000 C 0 0 4.5766 -0.4278 0.0000 C 0 0 3.2005 0.1711 0.0000 C 0 0 3.0301 1.6622 0.0000 C 0 0 1.9298 2.1410 0.0000 O 0 0 1.5070 -5.2120 0.0000 C 0 0 2.6051 -5.6961 0.0000 O 0 0 0.2335 -5.9527 0.0000 N 0 0 -4.7833 -1.5075 0.0000 O 0 5 3.9947 2.3760 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 26 1 0 3 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 27 1 0 9 10 2 0 9 24 1 0 10 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 28 1 0 24 25 2 0 24 26 1 0 M CHG 2 27 -1 28 -1 M END > ZINC03815532 > 9 $$$$ SciTegic07110717472D 29 32 0 0 0 0 999 V2000 -3.2842 -3.9357 0.0000 C 0 0 -2.3831 -5.1594 0.0000 C 0 0 -0.8910 -4.9701 0.0000 C 0 0 -0.2979 -3.5977 0.0000 C 0 0 -1.1823 -2.3813 0.0000 C 0 0 -2.6911 -2.5634 0.0000 C 0 0 -3.5945 -1.3649 0.0000 S 0 0 1 0 0 0 -3.1255 -0.2603 0.0000 O 0 0 -4.3164 -0.4064 0.0000 O 0 0 -5.0842 -1.5472 0.0000 N 0 0 1.1883 -3.7436 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.7467 -1.9163 0.0000 C 0 0 6.0413 -2.6606 0.0000 C 0 0 5.7273 -4.1223 0.0000 C 0 0 4.2412 -4.2692 0.0000 N 0 0 6.8321 -5.1428 0.0000 C 0 0 8.2764 -4.6699 0.0000 C 0 0 8.5904 -3.2082 0.0000 C 0 0 7.4678 -2.1838 0.0000 C 0 0 4.5766 -0.4278 0.0000 C 0 0 3.2005 0.1711 0.0000 C 0 0 3.0301 1.6622 0.0000 C 0 0 1.9298 2.1410 0.0000 O 0 0 1.5070 -5.2120 0.0000 C 0 0 2.6051 -5.6961 0.0000 O 0 0 0.2335 -5.9527 0.0000 N 0 0 3.9947 2.3760 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 28 1 0 3 4 1 0 4 5 2 0 4 11 1 0 5 6 1 0 7 6 1 6 7 8 2 0 7 9 2 0 7 10 1 0 11 12 2 0 11 26 1 0 12 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 14 22 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 29 1 0 26 27 2 0 26 28 1 0 M CHG 1 29 -1 M END > ZINC03815527 > 9 $$$$ SciTegic07110717472D 24 27 0 0 0 0 999 V2000 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 5.7419 -4.3929 0.0000 O 0 0 2.2295 -1.1280 0.0000 C 0 0 1.0491 -0.2133 0.0000 C 0 0 1.5604 1.1915 0.0000 C 0 0 3.0526 1.1335 0.0000 N 0 0 3.4697 -0.2795 0.0000 N 0 0 0.6059 2.3538 0.0000 N 0 0 -0.8895 2.0832 0.0000 C 0 0 -1.4008 0.6784 0.0000 N 0 0 -0.4292 -0.4902 0.0000 C 0 0 -0.9371 -1.9021 0.0000 N 0 0 -2.4140 -2.1693 0.0000 C 0 0 -3.3810 -1.0225 0.0000 C 0 0 -4.8575 -1.2865 0.0000 C 0 0 -5.3672 -2.6972 0.0000 C 0 0 -4.4003 -3.8440 0.0000 C 0 0 -2.9237 -3.5800 0.0000 C 0 0 -4.8081 -4.9726 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 12 2 0 8 9 1 0 9 16 2 0 9 10 1 0 10 11 1 0 10 13 2 0 11 12 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC03815213 > 10 $$$$ SciTegic07110717472D 25 28 0 0 0 0 999 V2000 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 7.1183 -0.9872 0.0000 O 0 0 2.1855 -2.6254 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 13 2 0 9 10 1 0 10 17 2 0 10 11 1 0 11 12 1 0 11 14 2 0 12 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M END > ZINC03815082 > 11 $$$$ SciTegic07110717472D 25 28 0 0 0 0 999 V2000 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -5.9323 -3.1786 0.0000 Cl 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 8.0641 -3.8351 0.0000 O 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 25 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 23 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 24 2 0 24 25 1 0 M END > ZINC00839396 > 11 $$$$ SciTegic07110717472D 25 28 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 18 2 0 3 4 1 0 4 5 1 0 4 15 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03832250 > 12 $$$$ SciTegic07110717472D 26 29 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 19 2 0 4 5 1 0 5 6 1 0 5 16 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC03832231 > 12 $$$$ SciTegic07110717472D 27 30 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC00601820 > 12 $$$$ SciTegic07110717472D 27 30 0 0 0 0 999 V2000 1.2964 2.9981 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 3.8926 -1.4990 0.0000 C 0 0 3.8904 -2.9990 0.0000 C 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 N 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 1 2 1 0 2 11 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 21 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 13 1 0 11 12 2 0 13 18 2 0 13 14 1 0 14 15 2 0 14 20 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03832359 > 12 $$$$ SciTegic07110717472D 27 30 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC00838734 > 12 $$$$ SciTegic07110717472D 27 30 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 N 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03815354 > 12 $$$$ SciTegic07110717472D 28 31 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4789 -6.0094 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 M END > ZINC03815288 > 12 $$$$ SciTegic07110717472D 28 31 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 21 2 0 4 5 1 0 5 6 1 0 5 18 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03815350 > 12 $$$$ SciTegic07110717472D 28 31 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 3.8765 -7.5035 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M END > ZINC03815520 > 12 $$$$ SciTegic07110717472D 29 32 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4789 -6.0094 0.0000 O 0 0 7.7802 -5.2616 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 M END > ZINC03815223 > 12 $$$$ SciTegic07110717472D 29 32 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4773 -6.0120 0.0000 C 0 0 6.4731 -7.5129 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 M END > ZINC02047503 > 12 $$$$ SciTegic07110717472D 29 32 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 N 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4893 -3.0139 0.0000 O 0 0 7.7853 -3.7707 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > ZINC03815556 > 12 $$$$ SciTegic07110717472D 29 32 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 3.8765 -7.5035 0.0000 O 0 0 5.1747 -8.2565 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 28 29 1 0 M END > ZINC03815309 > 12 $$$$ SciTegic07110717472D 30 33 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4789 -6.0094 0.0000 C 0 0 7.5194 -5.4115 0.0000 O 0 0 6.4768 -7.2094 0.0000 O 0 5 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 28 30 1 0 M CHG 1 30 -1 M END > ZINC03815299 > 12 $$$$ SciTegic07110717472D 32 35 0 0 0 0 999 V2000 -14.3029 -1.5241 0.0000 C 0 0 -13.0041 -0.7721 0.0000 C 0 0 -11.7007 -3.0209 0.0000 C 0 0 -12.9988 -3.7741 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 3.8904 -2.9990 0.0000 C 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 -11.7030 -1.5201 0.0000 N 0 3 1 2 1 0 2 32 1 0 3 4 1 0 3 32 1 0 5 6 1 0 5 32 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 14 24 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 26 1 0 20 21 2 0 20 22 1 0 22 23 1 0 22 25 1 0 23 24 1 0 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC03815545 > 12 $$$$ SciTegic07110717472D 33 36 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 3.8765 -7.5035 0.0000 O 0 0 5.1747 -8.2565 0.0000 C 0 0 6.4708 -10.5104 0.0000 C 0 0 6.4687 -12.0112 0.0000 C 0 0 3.8716 -10.5055 0.0000 C 0 0 3.8681 -12.0063 0.0000 C 0 0 5.1726 -9.7573 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 19 2 0 4 5 1 0 5 6 1 0 5 16 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 27 28 1 0 28 33 1 0 29 30 1 0 29 33 1 0 31 32 1 0 31 33 1 0 M CHG 1 33 1 M END > ZINC03815509 > 12 $$$$ SciTegic07110717472D 26 29 0 0 0 0 999 V2000 -1.2983 -5.0718 0.0000 C 0 0 -2.5969 -5.8226 0.0000 C 0 0 -3.8964 -5.0734 0.0000 C 0 0 -3.8974 -3.5734 0.0000 C 0 0 -2.5988 -2.8226 0.0000 C 0 0 -1.2993 -3.5718 0.0000 C 0 0 0.1786 -3.3102 0.0000 C 0 0 0.6921 -1.8993 0.0000 N 0 0 -0.2169 -0.8081 0.0000 C 0 0 -1.6491 -1.0471 0.0000 C 0 0 -2.5409 0.0378 0.0000 C 0 0 -2.0522 1.3806 0.0000 C 0 0 -0.6716 1.6384 0.0000 C 0 0 0.2718 0.5347 0.0000 C 0 0 2.5786 -0.3049 0.0000 C 0 0 2.0899 -1.6477 0.0000 C 0 0 3.0161 -2.7451 0.0000 C 0 0 4.4483 -2.5061 0.0000 C 0 0 4.9371 -1.1633 0.0000 C 0 0 3.9936 -0.0596 0.0000 C 0 0 5.4154 -3.6544 0.0000 O 0 0 2.4968 -4.1540 0.0000 O 0 0 -3.0155 2.5327 0.0000 O 0 0 -4.0205 -0.2195 0.0000 O 0 0 -5.1957 -5.8247 0.0000 C 0 0 -6.2345 -6.4253 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 24 1 0 12 13 2 0 12 23 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 22 1 0 18 19 2 0 18 21 1 0 19 20 1 0 25 26 3 0 M END > ZINC01916185 > 13 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 6.5075 7.4872 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 6.4868 1.4794 0.0000 C 0 0 1.1219 3.4882 0.0000 N 0 0 0.6057 2.0789 0.0000 C 0 0 -0.8686 1.8188 0.0000 C 0 0 -1.8308 2.9657 0.0000 C 0 0 -3.3222 2.7119 0.0000 C 0 0 -3.8343 1.3049 0.0000 C 0 0 -2.8550 0.1517 0.0000 C 0 0 -1.3807 0.4118 0.0000 C 0 0 -0.4185 -0.7351 0.0000 N 0 0 1.0558 -0.4750 0.0000 C 0 0 1.5679 0.9320 0.0000 C 0 0 3.0460 1.1926 0.0000 C 0 0 4.2277 1.4010 0.0000 N 0 0 -5.3116 1.0410 0.0000 O 0 0 -5.8228 -0.3701 0.0000 C 0 0 -4.2890 3.8597 0.0000 O 0 0 -5.7667 3.5971 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 21 2 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 26 1 0 16 17 2 0 16 24 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 3 0 24 25 1 0 26 27 1 0 M END > ZINC03832365 > 14 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 2.6111 8.2461 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.4972 2.9855 0.0000 O 0 0 7.7985 3.7333 0.0000 C 0 0 1.1219 3.4882 0.0000 N 0 0 0.6057 2.0789 0.0000 C 0 0 -0.8686 1.8188 0.0000 C 0 0 -1.8308 2.9657 0.0000 C 0 0 -3.3222 2.7119 0.0000 C 0 0 -3.8343 1.3049 0.0000 C 0 0 -2.8550 0.1517 0.0000 C 0 0 -1.3807 0.4118 0.0000 C 0 0 -0.4185 -0.7351 0.0000 N 0 0 1.0558 -0.4750 0.0000 C 0 0 1.5679 0.9320 0.0000 C 0 0 3.0460 1.1926 0.0000 C 0 0 4.2277 1.4010 0.0000 N 0 0 -5.3116 1.0410 0.0000 O 0 0 -5.8228 -0.3701 0.0000 C 0 0 -4.2890 3.8597 0.0000 O 0 0 -5.7667 3.5971 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 12 21 2 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 26 1 0 16 17 2 0 16 24 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 3 0 24 25 1 0 26 27 1 0 M END > ZINC03832366 > 14 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 -2.5712 8.2538 0.0000 C 0 0 -3.8739 7.5084 0.0000 O 0 0 -3.8807 6.0076 0.0000 C 0 0 -2.5835 5.2544 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -3.8880 3.0076 0.0000 C 0 0 -5.1852 3.7608 0.0000 C 0 0 -5.1815 5.2608 0.0000 C 0 0 -6.4810 6.0117 0.0000 O 0 0 -7.7815 5.2626 0.0000 C 0 0 -6.4883 3.0162 0.0000 O 0 0 -6.4960 1.5154 0.0000 C 0 0 -1.2907 2.9981 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 23 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 21 26 1 0 22 23 2 0 22 24 1 0 24 25 1 0 26 27 1 0 M END > ZINC03832350 > 14 $$$$ SciTegic07110717472D 27 29 0 0 0 0 999 V2000 2.6111 8.2461 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.5076 5.9810 0.0000 O 0 0 7.8036 5.2242 0.0000 C 0 0 6.4972 2.9855 0.0000 O 0 0 6.4960 1.4847 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -5.2109 0.7445 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 23 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 26 1 0 18 19 2 0 18 24 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 24 25 1 0 26 27 1 0 M END > ZINC03815352 > 14 $$$$ SciTegic07110717472D 28 30 0 0 0 0 999 V2000 7.8083 8.2358 0.0000 C 0 0 6.5075 7.4872 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 6.4868 1.4794 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -5.2109 0.7445 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 2.6111 8.2461 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 5 27 1 0 6 7 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 12 13 1 0 13 22 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 25 1 0 17 18 2 0 17 23 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 23 24 1 0 25 26 1 0 27 28 1 0 M END > ZINC03832354 > 14 $$$$ SciTegic07110717472D 29 31 0 0 0 0 999 V2000 2.6111 8.2461 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.5076 5.9810 0.0000 O 0 0 7.8036 5.2242 0.0000 C 0 0 6.4972 2.9855 0.0000 O 0 0 6.4960 1.4847 0.0000 C 0 0 1.1219 3.4882 0.0000 N 0 0 0.6057 2.0789 0.0000 C 0 0 -0.8686 1.8188 0.0000 C 0 0 -1.8308 2.9657 0.0000 C 0 0 -3.3222 2.7119 0.0000 C 0 0 -3.8343 1.3049 0.0000 C 0 0 -2.8550 0.1517 0.0000 C 0 0 -1.3807 0.4118 0.0000 C 0 0 -0.4185 -0.7351 0.0000 N 0 0 1.0558 -0.4750 0.0000 C 0 0 1.5679 0.9320 0.0000 C 0 0 3.0460 1.1926 0.0000 C 0 0 4.2277 1.4010 0.0000 N 0 0 -5.3116 1.0410 0.0000 O 0 0 -5.8228 -0.3701 0.0000 C 0 0 -4.2890 3.8597 0.0000 O 0 0 -5.7667 3.5971 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 23 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 28 1 0 18 19 2 0 18 26 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 3 0 26 27 1 0 28 29 1 0 M END > ZINC03832344 > 14 $$$$ SciTegic07110717472D 29 31 0 0 0 0 999 V2000 2.6111 8.2461 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.5076 5.9810 0.0000 O 0 0 7.8036 5.2242 0.0000 C 0 0 6.4972 2.9855 0.0000 O 0 0 6.4960 1.4847 0.0000 C 0 0 1.1219 3.4882 0.0000 O 0 0 0.6057 2.0789 0.0000 C 0 0 -0.8686 1.8188 0.0000 C 0 0 -1.8308 2.9657 0.0000 C 0 0 -3.3222 2.7119 0.0000 C 0 0 -3.8343 1.3049 0.0000 C 0 0 -2.8550 0.1517 0.0000 C 0 0 -1.3807 0.4118 0.0000 C 0 0 -0.4185 -0.7351 0.0000 N 0 0 1.0558 -0.4750 0.0000 C 0 0 1.5679 0.9320 0.0000 C 0 0 3.0460 1.1926 0.0000 C 0 0 4.2277 1.4010 0.0000 N 0 0 -5.3116 1.0410 0.0000 O 0 0 -5.8228 -0.3701 0.0000 C 0 0 -4.2890 3.8597 0.0000 O 0 0 -5.7667 3.5971 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 23 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 28 1 0 18 19 2 0 18 26 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 3 0 26 27 1 0 28 29 1 0 M END > ZINC03832352 > 14 $$$$ SciTegic07110717472D 29 31 0 0 0 0 999 V2000 9.1045 5.9835 0.0000 C 0 0 7.8037 5.2349 0.0000 C 0 0 1 0 0 0 7.8020 3.7342 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 6.4868 1.4794 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -5.2109 0.7445 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 2.6111 8.2461 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 6 28 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 1 0 14 23 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 26 1 0 18 19 2 0 18 24 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 24 25 1 0 26 27 1 0 28 29 1 0 M END > ZINC03832362 > 14 $$$$ SciTegic07110717472D 30 32 0 0 0 0 999 V2000 9.1122 10.4852 0.0000 C 0 0 7.8114 9.7366 0.0000 C 0 0 7.8083 8.2358 0.0000 C 0 0 6.5075 7.4872 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 6.4868 1.4794 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -5.2109 0.7445 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 2.6111 8.2461 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 7 29 1 0 8 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 15 1 0 15 24 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 27 1 0 19 20 2 0 19 25 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 25 26 1 0 27 28 1 0 29 30 1 0 M END > ZINC03832357 > 14 $$$$ SciTegic07110717472D 30 32 0 0 0 0 999 V2000 1.3085 6.0017 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 3.9155 7.4930 0.0000 O 0 0 2.6204 8.2514 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 7.8037 5.2349 0.0000 C 0 0 6.4972 2.9855 0.0000 O 0 0 6.4960 1.4847 0.0000 C 0 0 1.1219 3.4882 0.0000 N 0 0 0.6057 2.0789 0.0000 C 0 0 -0.8686 1.8188 0.0000 C 0 0 -1.8308 2.9657 0.0000 C 0 0 -3.3222 2.7119 0.0000 C 0 0 -3.8343 1.3049 0.0000 C 0 0 -2.8550 0.1517 0.0000 C 0 0 -1.3807 0.4118 0.0000 C 0 0 -0.4185 -0.7351 0.0000 N 0 0 1.0558 -0.4750 0.0000 C 0 0 1.5679 0.9320 0.0000 C 0 0 3.0460 1.1926 0.0000 C 0 0 4.2277 1.4010 0.0000 N 0 0 -5.3116 1.0410 0.0000 O 0 0 -5.8228 -0.3701 0.0000 C 0 0 -4.2890 3.8597 0.0000 O 0 0 -5.7667 3.5971 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 5 12 1 0 6 7 1 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 1 0 12 13 1 0 14 15 1 0 15 24 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 29 1 0 19 20 2 0 19 27 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 3 0 27 28 1 0 29 30 1 0 M END > ZINC03832356 > 14 $$$$ SciTegic07110717472D 30 32 0 0 0 0 999 V2000 7.8083 8.2358 0.0000 C 0 0 6.5075 7.4872 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 6.4868 1.4794 0.0000 C 0 0 1.1219 3.4882 0.0000 N 0 0 0.6057 2.0789 0.0000 C 0 0 -0.8686 1.8188 0.0000 C 0 0 -1.8308 2.9657 0.0000 C 0 0 -3.3222 2.7119 0.0000 C 0 0 -3.8343 1.3049 0.0000 C 0 0 -2.8550 0.1517 0.0000 C 0 0 -1.3807 0.4118 0.0000 C 0 0 -0.4185 -0.7351 0.0000 N 0 0 1.0558 -0.4750 0.0000 C 0 0 1.5679 0.9320 0.0000 C 0 0 3.0460 1.1926 0.0000 C 0 0 4.2277 1.4010 0.0000 N 0 0 -5.3116 1.0410 0.0000 O 0 0 -5.8228 -0.3701 0.0000 C 0 0 -4.2890 3.8597 0.0000 O 0 0 -5.7667 3.5971 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 2.6111 8.2461 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 5 29 1 0 6 7 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 12 13 1 0 13 22 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 27 1 0 17 18 2 0 17 25 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 3 0 25 26 1 0 27 28 1 0 29 30 1 0 M END > ZINC03832345 > 14 $$$$ SciTegic07110717472D 31 33 0 0 0 0 999 V2000 9.1045 5.9835 0.0000 C 0 0 7.8037 5.2349 0.0000 C 0 0 1 0 0 0 7.8020 3.7342 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 6.4868 1.4794 0.0000 C 0 0 1.1219 3.4882 0.0000 N 0 0 0.6057 2.0789 0.0000 C 0 0 -0.8686 1.8188 0.0000 C 0 0 -1.8308 2.9657 0.0000 C 0 0 -3.3222 2.7119 0.0000 C 0 0 -3.8343 1.3049 0.0000 C 0 0 -2.8550 0.1517 0.0000 C 0 0 -1.3807 0.4118 0.0000 C 0 0 -0.4185 -0.7351 0.0000 N 0 0 1.0558 -0.4750 0.0000 C 0 0 1.5679 0.9320 0.0000 C 0 0 3.0460 1.1926 0.0000 C 0 0 4.2277 1.4010 0.0000 N 0 0 -5.3116 1.0410 0.0000 O 0 0 -5.8228 -0.3701 0.0000 C 0 0 -4.2890 3.8597 0.0000 O 0 0 -5.7667 3.5971 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 2.6111 8.2461 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 6 30 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 1 0 14 23 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 28 1 0 18 19 2 0 18 26 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 3 0 26 27 1 0 28 29 1 0 30 31 1 0 M END > ZINC03832347 > 14 $$$$ SciTegic07110717472D 27 30 0 0 0 0 999 V2000 -5.1705 -5.2741 0.0000 C 0 0 -3.8666 -6.0155 0.0000 C 0 0 -2.5725 -5.2570 0.0000 C 0 0 -2.5824 -3.7570 0.0000 C 0 0 -3.8863 -3.0156 0.0000 C 0 0 -5.1804 -3.7741 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 13 1 0 8 9 1 0 9 26 2 0 9 10 1 0 10 11 1 0 10 23 2 0 11 12 2 0 12 13 1 0 12 15 1 0 13 14 2 0 15 20 2 0 15 16 1 0 16 17 2 0 16 22 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 M END > ZINC03834088 > 15 $$$$ SciTegic07110717472D 27 30 0 0 0 0 999 V2000 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2063 -0.4481 0.0000 Cl 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -1.2876 -2.9981 0.0000 C 0 0 -2.5825 -3.7569 0.0000 C 0 0 -3.8863 -3.0153 0.0000 C 0 0 -5.1805 -3.7737 0.0000 C 0 0 -5.1708 -5.2736 0.0000 N 0 0 -3.8670 -6.0152 0.0000 C 0 0 -2.5728 -5.2569 0.0000 C 0 0 3.8911 -1.5017 0.0000 N 0 0 -2.8709 3.6035 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 27 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 7 1 0 8 17 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 19 1 0 17 18 2 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815564 > 15 $$$$ SciTegic07110717472D 28 31 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 6.4877 -3.0083 0.0000 C 0 0 7.7852 -3.7610 0.0000 C 0 0 7.7822 -5.2610 0.0000 C 0 0 6.4816 -6.0083 0.0000 C 0 0 5.1841 -5.2557 0.0000 N 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03832361 > 16 $$$$ SciTegic07110717472D 29 32 0 0 0 0 999 V2000 1.7317 -6.0571 0.0000 C 0 0 3.0258 -6.8157 0.0000 C 0 0 4.3298 -6.0743 0.0000 C 0 0 4.3397 -4.5743 0.0000 C 0 0 3.0456 -3.8157 0.0000 C 0 0 1.7417 -4.5571 0.0000 C 0 0 0.4469 -3.7981 0.0000 C 0 0 0.4558 -2.2973 0.0000 N 0 0 -0.8205 -1.5498 0.0000 C 0 0 -2.1332 -2.2973 0.0000 C 0 0 -3.4277 -1.5498 0.0000 C 0 0 -3.4277 0.0000 0.0000 C 0 0 -2.1332 0.6928 0.0000 C 0 0 -0.8205 0.0000 0.0000 C 0 0 0.4558 0.6928 0.0000 C 0 0 0.4558 2.1879 0.0000 C 0 0 1.7503 2.9537 0.0000 C 0 0 3.0631 2.1879 0.0000 C 0 0 3.0631 0.6928 0.0000 C 0 0 1.7503 0.0000 0.0000 C 0 0 1.7503 -1.5498 0.0000 C 0 0 2.7896 -2.1497 0.0000 O 0 0 4.3693 2.9269 0.0000 O 0 0 1.7447 4.4542 0.0000 O 0 0 -4.7022 0.7916 0.0000 O 0 0 -4.7215 -2.3100 0.0000 O 0 0 5.6261 -6.8306 0.0000 N 0 3 6.6684 -6.2360 0.0000 O 0 0 5.6202 -8.0306 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 27 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 21 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 26 1 0 12 13 2 0 12 25 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 24 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 1 0 21 22 2 0 27 28 2 0 27 29 1 0 M CHG 2 27 1 29 -1 M END > ZINC03834106 > 17 $$$$ SciTegic07110717472D 29 32 0 0 0 0 999 V2000 1.2964 2.9981 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 3.8926 -1.4990 0.0000 C 0 0 2 0 0 0 3.8904 -2.9990 0.0000 C 0 0 2 0 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 3 0 0 0 5.1947 0.4490 0.0000 Cl 0 0 2.8503 -3.5975 0.0000 Cl 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -6.5006 6.0101 0.0000 N 0 0 -6.6352 7.4912 0.0000 C 0 0 -8.1017 7.8063 0.0000 C 0 0 -8.8545 6.5089 0.0000 N 0 0 -7.8533 5.3919 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 10 1 0 3 2 1 4 3 7 1 0 3 4 1 0 4 5 1 0 5 20 1 6 5 29 1 0 7 6 1 4 6 29 1 0 7 8 1 0 8 9 2 0 9 10 1 0 12 9 1 1 10 11 2 0 12 17 1 0 12 13 1 0 13 14 1 0 13 19 1 6 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 4 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 M END > ZINC03815530 > 18 $$$$ SciTegic07110717472D 30 33 0 0 0 0 999 V2000 -1.3942 -3.2890 0.0000 C 0 0 -2.3703 -4.4291 0.0000 N 0 0 -1.8642 -5.8380 0.0000 C 0 0 -2.8314 -6.9810 0.0000 C 0 0 -4.3046 -6.7151 0.0000 C 0 0 -4.8247 -5.2944 0.0000 C 0 0 -3.8575 -4.1514 0.0000 C 0 0 -4.2600 -3.0209 0.0000 O 0 0 -6.3023 -5.0321 0.0000 C 0 0 -7.2636 -6.1837 0.0000 C 0 0 -8.7415 -5.9271 0.0000 C 0 0 -9.2581 -4.5188 0.0000 C 0 0 -8.2969 -3.3673 0.0000 C 0 0 -6.8190 -3.6240 0.0000 C 0 0 -6.0500 -2.7027 0.0000 Cl 0 0 -6.8503 -7.3103 0.0000 Cl 0 0 -2.3253 -8.3899 0.0000 C 0 0 -0.8520 -8.6558 0.0000 N 0 0 0.1151 -7.5128 0.0000 C 0 0 -0.3910 -6.1039 0.0000 N 0 0 1.5937 -7.2552 0.0000 N 0 0 1.5978 -5.7544 0.0000 C 0 0 2.8991 -5.0066 0.0000 C 0 0 2.9031 -3.5058 0.0000 C 0 0 3.2294 -1.6451 0.0000 C 0 0 3.7467 -0.2371 0.0000 C 0 0 5.2247 0.0189 0.0000 O 0 0 6.1854 -1.1331 0.0000 C 0 0 5.6681 -2.5411 0.0000 C 0 0 4.2044 -2.7581 0.0000 N 0 3 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 30 1 0 25 26 1 0 25 30 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 M CHG 1 30 1 M END > ZINC03834095 > 19 $$$$ SciTegic07110717472D 31 35 0 0 0 0 999 V2000 -7.7563 -4.4449 0.0000 C 0 0 -7.1581 -3.0693 0.0000 C 0 0 -5.6677 -2.8996 0.0000 C 0 0 -4.7753 -4.1055 0.0000 C 0 0 -5.3737 -5.4810 0.0000 C 0 0 -6.8641 -5.6507 0.0000 C 0 0 -3.3161 -4.4559 0.0000 C 0 0 -2.2893 -3.3692 0.0000 C 0 0 -0.8093 -3.7141 0.0000 C 0 0 -0.3942 -5.1597 0.0000 C 0 0 -1.4210 -6.2464 0.0000 C 0 0 -2.8878 -5.9140 0.0000 C 0 0 -0.7003 -7.5544 0.0000 N 0 0 0.7497 -7.2940 0.0000 C 0 0 1.6160 -8.1244 0.0000 O 0 0 0.9525 -5.8051 0.0000 C 0 0 2.2720 -5.0954 0.0000 C 0 0 3.5491 -5.8837 0.0000 C 0 0 4.9212 -5.3050 0.0000 C 0 0 5.8832 -6.4473 0.0000 C 0 0 5.0882 -7.7134 0.0000 C 0 0 3.6415 -7.3432 0.0000 N 0 0 5.7773 -9.0502 0.0000 C 0 0 7.2962 -9.0998 0.0000 C 0 0 8.0912 -7.8336 0.0000 C 0 0 7.3867 -6.4871 0.0000 C 0 0 5.2705 -3.8481 0.0000 C 0 0 4.1822 -2.8147 0.0000 C 0 0 4.5320 -1.3552 0.0000 C 0 0 3.6619 -0.5289 0.0000 O 0 0 5.6826 -1.0144 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 16 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 22 1 0 18 19 2 0 19 20 1 0 19 27 1 0 20 26 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 M CHG 1 31 -1 M END > ZINC04632533 > 20 $$$$ SciTegic07110717472D 33 37 0 0 0 0 999 V2000 -8.9569 -7.1935 0.0000 C 0 0 -7.4655 -7.0258 0.0000 O 0 0 -6.8641 -5.6507 0.0000 C 0 0 -7.7563 -4.4449 0.0000 C 0 0 -7.1581 -3.0693 0.0000 C 0 0 -5.6677 -2.8996 0.0000 C 0 0 -4.7753 -4.1055 0.0000 C 0 0 -5.3737 -5.4810 0.0000 C 0 0 -3.3161 -4.4559 0.0000 C 0 0 -2.2893 -3.3692 0.0000 C 0 0 -0.8093 -3.7141 0.0000 C 0 0 -0.3942 -5.1597 0.0000 C 0 0 -1.4210 -6.2464 0.0000 C 0 0 -2.8878 -5.9140 0.0000 C 0 0 -0.7003 -7.5544 0.0000 N 0 0 0.7497 -7.2940 0.0000 C 0 0 1.6160 -8.1244 0.0000 O 0 0 0.9525 -5.8051 0.0000 C 0 0 2.2720 -5.0954 0.0000 C 0 0 3.5491 -5.8837 0.0000 C 0 0 4.9212 -5.3050 0.0000 C 0 0 5.8832 -6.4473 0.0000 C 0 0 5.0882 -7.7134 0.0000 C 0 0 3.6415 -7.3432 0.0000 N 0 0 5.7773 -9.0502 0.0000 C 0 0 7.2962 -9.0998 0.0000 C 0 0 8.0912 -7.8336 0.0000 C 0 0 7.3867 -6.4871 0.0000 C 0 0 5.2705 -3.8481 0.0000 C 0 0 4.1822 -2.8147 0.0000 C 0 0 4.5320 -1.3552 0.0000 C 0 0 3.6619 -0.5289 0.0000 O 0 0 5.6826 -1.0144 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 24 1 0 20 21 2 0 21 22 1 0 21 29 1 0 22 28 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 M CHG 1 33 -1 M END > ZINC04632535 > 20 $$$$ SciTegic07110717472D 33 37 0 0 0 0 999 V2000 -10.1388 -3.4039 0.0000 C 0 0 -9.2478 -4.6116 0.0000 O 0 0 -7.7563 -4.4449 0.0000 C 0 0 -7.1581 -3.0693 0.0000 C 0 0 -5.6677 -2.8996 0.0000 C 0 0 -4.7753 -4.1055 0.0000 C 0 0 -5.3737 -5.4810 0.0000 C 0 0 -6.8641 -5.6507 0.0000 C 0 0 -3.3161 -4.4559 0.0000 C 0 0 -2.2893 -3.3692 0.0000 C 0 0 -0.8093 -3.7141 0.0000 C 0 0 -0.3942 -5.1597 0.0000 C 0 0 -1.4210 -6.2464 0.0000 C 0 0 -2.8878 -5.9140 0.0000 C 0 0 -0.7003 -7.5544 0.0000 N 0 0 0.7497 -7.2940 0.0000 C 0 0 1.6160 -8.1244 0.0000 O 0 0 0.9525 -5.8051 0.0000 C 0 0 2.2720 -5.0954 0.0000 C 0 0 3.5491 -5.8837 0.0000 C 0 0 4.9212 -5.3050 0.0000 C 0 0 5.8832 -6.4473 0.0000 C 0 0 5.0882 -7.7134 0.0000 C 0 0 3.6415 -7.3432 0.0000 N 0 0 5.7773 -9.0502 0.0000 C 0 0 7.2962 -9.0998 0.0000 C 0 0 8.0912 -7.8336 0.0000 C 0 0 7.3867 -6.4871 0.0000 C 0 0 5.2705 -3.8481 0.0000 C 0 0 4.1822 -2.8147 0.0000 C 0 0 4.5320 -1.3552 0.0000 C 0 0 3.6619 -0.5289 0.0000 O 0 0 5.6826 -1.0144 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 24 1 0 20 21 2 0 21 22 1 0 21 29 1 0 22 28 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 M CHG 1 33 -1 M END > ZINC04617837 > 20 $$$$ SciTegic07110717472D 33 37 0 0 0 0 999 V2000 -5.9666 -0.3169 0.0000 C 0 0 -5.0721 -1.5220 0.0000 O 0 0 -5.6677 -2.8996 0.0000 C 0 0 -7.1581 -3.0693 0.0000 C 0 0 -7.7563 -4.4449 0.0000 C 0 0 -6.8641 -5.6507 0.0000 C 0 0 -5.3737 -5.4810 0.0000 C 0 0 -4.7753 -4.1055 0.0000 C 0 0 -3.3161 -4.4559 0.0000 C 0 0 -2.2893 -3.3692 0.0000 C 0 0 -0.8093 -3.7141 0.0000 C 0 0 -0.3942 -5.1597 0.0000 C 0 0 -1.4210 -6.2464 0.0000 C 0 0 -2.8878 -5.9140 0.0000 C 0 0 -0.7003 -7.5544 0.0000 N 0 0 0.7497 -7.2940 0.0000 C 0 0 1.6160 -8.1244 0.0000 O 0 0 0.9525 -5.8051 0.0000 C 0 0 2.2720 -5.0954 0.0000 C 0 0 3.5491 -5.8837 0.0000 C 0 0 4.9212 -5.3050 0.0000 C 0 0 5.8832 -6.4473 0.0000 C 0 0 5.0882 -7.7134 0.0000 C 0 0 3.6415 -7.3432 0.0000 N 0 0 5.7773 -9.0502 0.0000 C 0 0 7.2962 -9.0998 0.0000 C 0 0 8.0912 -7.8336 0.0000 C 0 0 7.3867 -6.4871 0.0000 C 0 0 5.2705 -3.8481 0.0000 C 0 0 4.1822 -2.8147 0.0000 C 0 0 4.5320 -1.3552 0.0000 C 0 0 3.6619 -0.5289 0.0000 O 0 0 5.6826 -1.0144 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 24 1 0 20 21 2 0 21 22 1 0 21 29 1 0 22 28 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 M CHG 1 33 -1 M END > ZINC04617831 > 20 $$$$ SciTegic07110717472D 31 34 0 0 0 0 999 V2000 -14.3029 -1.5241 0.0000 C 0 0 -13.0041 -0.7721 0.0000 C 0 0 -11.7007 -3.0209 0.0000 C 0 0 -12.9988 -3.7741 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 4.0282 -2.9800 0.0000 C 0 0 5.4950 -3.2941 0.0000 C 0 0 6.2469 -1.9962 0.0000 S 0 0 5.2449 -0.8800 0.0000 C 0 0 -11.7030 -1.5201 0.0000 N 0 3 1 2 1 0 2 31 1 0 3 4 1 0 3 31 1 0 5 6 1 0 5 31 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 14 24 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 26 1 0 20 21 2 0 20 22 1 0 22 23 1 0 22 25 1 0 23 24 1 0 26 30 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03832229 > 21 $$$$