SciTegic07110717232D 14 15 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 S 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 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 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 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 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 11 13 1 0 M END > ZINC03814995 > 1 $$$$ SciTegic07110717232D 16 17 0 0 0 0 999 V2000 -3.9112 2.6992 0.0000 C 0 0 -3.9106 1.4992 0.0000 C 0 0 1 0 0 0 -4.9497 0.8990 0.0000 C 0 0 -2.8715 2.0994 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 2 5 1 0 5 16 1 6 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 9 16 1 0 10 11 1 0 10 15 1 0 11 12 2 0 12 13 1 0 12 14 1 0 M END > ZINC03814902 > 1 $$$$ SciTegic07110717232D 20 21 0 0 0 0 999 V2000 -4.9447 3.6050 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 1 0 0 0 -2.8664 3.6008 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 C 0 0 1 0 0 0 -4.9447 -3.6050 0.0000 C 0 0 -2.8664 -3.6008 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 6 17 1 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 13 15 1 0 17 18 1 0 18 19 1 6 18 20 1 0 M END > ZINC00006616 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 17 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 16 18 1 0 M END > ZINC03814933 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 8 7 1 6 8 19 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 12 19 1 0 13 14 1 0 13 18 1 0 14 15 2 0 15 16 1 0 15 17 1 0 M END > ZINC03814891 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -8.8414 -1.3675 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 17 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 16 18 1 0 M END > ZINC03814935 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814936 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -6.5165 2.6901 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 9 8 1 6 9 20 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 20 1 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03814892 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -6.4987 -2.7098 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 6 9 20 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 20 1 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03814893 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.5627 3.5860 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814934 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.5627 3.5860 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC00023462 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.5389 -3.6126 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814895 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -10.1433 -0.9181 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814896 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -10.1433 -0.9181 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 S 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814942 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.5627 3.5860 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 S 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814941 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -10.1433 -0.9181 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 11 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814937 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -7.5389 -3.6126 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -7.5626 3.5860 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 22 1 0 7 8 1 0 7 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 22 23 1 0 M END > ZINC00007330 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -10.1433 -0.9181 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -6.4946 -3.0107 0.0000 O 0 0 -5.4526 -3.6058 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 12 11 1 6 12 23 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 16 23 1 0 17 18 1 0 17 22 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC00023463 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.4977 -3.0107 0.0000 C 0 0 1 0 0 0 -5.4569 -3.6079 0.0000 F 0 0 -7.5352 -3.6137 0.0000 F 0 0 -6.4943 -4.2107 0.0000 F 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 11 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 1 7 9 1 0 7 10 1 0 12 11 1 6 12 23 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 16 23 1 0 17 18 1 0 17 22 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03814897 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -10.1433 -0.9181 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -6.4946 -3.0107 0.0000 O 0 0 -5.4526 -3.6058 0.0000 C 0 0 -3.9122 1.4966 0.0000 S 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M END > ZINC03814943 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -7.5627 3.5860 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -7.5389 -3.6126 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 23 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 23 24 1 0 M END > ZINC00000640 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1098 1.4847 0.0000 O 0 0 -9.1120 2.6847 0.0000 C 0 0 -9.0999 -1.5215 0.0000 O 0 0 -9.0942 -2.7215 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 13 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC00007519 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -7.5627 3.5860 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -7.5389 -3.6126 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 15 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 11 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 23 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 23 24 1 0 M END > ZINC03814938 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1098 1.4847 0.0000 O 0 0 -9.1120 2.6847 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -7.5389 -3.6126 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 23 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 23 24 1 0 M END > ZINC03814837 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -4.9571 8.0989 0.0000 C 0 0 -3.9167 7.5009 0.0000 O 0 0 -3.9129 6.0001 0.0000 C 0 0 -5.2115 5.2494 0.0000 C 0 0 -5.2108 3.7494 0.0000 C 0 0 -3.9114 3.0001 0.0000 C 0 0 -2.6127 3.7507 0.0000 C 0 0 -2.6135 5.2507 0.0000 C 0 0 -1.3125 5.9991 0.0000 O 0 0 -0.2739 5.3982 0.0000 C 0 0 -3.9106 1.4992 0.0000 S 0 0 1 0 0 0 -4.9497 0.8990 0.0000 O 0 0 -2.8715 2.0994 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 11 6 1 1 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 2 0 11 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 22 24 1 0 M END > ZINC03814944 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1098 1.4847 0.0000 O 0 0 -9.1120 2.6847 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -10.1433 -0.9181 0.0000 C 0 0 -6.4946 -3.0107 0.0000 O 0 0 -5.4526 -3.6058 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 15 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 11 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 25 1 0 18 19 2 0 18 23 1 0 19 20 1 0 19 21 1 0 21 22 1 0 23 24 1 0 25 26 1 0 M END > ZINC03814940 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -0.2593 -5.3859 0.0000 C 0 0 -1.2955 -5.9911 0.0000 O 0 0 -2.5995 -5.2481 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -3.8958 -6.0028 0.0000 C 0 0 -3.8935 -7.5036 0.0000 O 0 0 -4.9314 -8.1059 0.0000 C 0 0 -6.4931 -6.0153 0.0000 O 0 0 -6.4870 -7.2153 0.0000 C 0 0 -6.2444 -3.1613 0.0000 Br 0 0 -3.9091 -1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 3.6321 1.3486 0.0000 N 0 0 1.2964 -2.6973 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 14 1 0 6 7 2 0 6 13 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 14 26 1 0 15 16 1 0 15 26 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 18 25 1 0 19 20 1 0 19 24 1 0 20 21 2 0 21 22 1 0 21 23 1 0 25 26 1 0 M CHG 1 26 1 M END > ZINC03814988 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814918 > 3 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814922 > 3 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814839 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814833 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 9 8 1 6 9 20 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 20 1 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03814879 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8109 4.9426 0.0000 Br 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814881 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814928 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -5.2047 5.2560 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -8.8419 5.8566 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 11 2 0 11 16 1 0 11 12 1 0 12 13 2 0 12 20 1 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815020 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03815022 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 21 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814905 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814999 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814907 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814996 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814840 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9494 0.9039 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 10 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 10 19 2 0 10 11 1 0 11 12 2 0 12 17 1 0 12 13 1 0 13 14 2 0 13 21 1 0 14 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03814959 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815005 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -10.1493 3.5928 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03815001 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8109 4.9426 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03815000 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC03814859 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC03814906 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -9.0990 7.2097 0.0000 C 0 0 -9.1009 6.0097 0.0000 O 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 1 0 11 20 2 0 11 12 1 0 12 13 2 0 13 18 1 0 13 14 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03814982 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 21 1 0 5 6 1 0 6 7 1 0 7 8 1 0 9 8 1 6 9 20 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 20 1 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03814890 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.4728 3.5924 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 7 1 0 8 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814878 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 4 3 1 6 4 15 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 11 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC03814880 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814877 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -8.8548 -1.3566 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814929 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -11.4498 3.1392 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814903 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -8.8540 5.8420 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814931 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03814972 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814913 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC03814973 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03814860 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8115 -0.4574 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 22 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03815023 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC00007637 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814915 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 21 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814917 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC03815006 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -10.4133 4.9406 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -11.4498 3.1392 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M END > ZINC03814835 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 20 22 1 0 M END > ZINC03814945 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 M END > ZINC03814932 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 4 3 1 6 4 15 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 11 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 20 22 1 0 M END > ZINC03814876 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 M END > ZINC03815002 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 1 0 M END > ZINC03815003 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 1 0 M END > ZINC03814904 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 M END > ZINC03814976 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 21 22 1 0 M END > ZINC03814914 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 20 22 1 0 M END > ZINC03814854 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -10.4133 4.9406 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -11.4498 3.1392 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M END > ZINC03814923 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 M END > ZINC03814979 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 M END > ZINC03814978 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 M END > ZINC03814977 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 M END > ZINC03814930 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -7.8109 4.9426 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8115 -0.4574 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 23 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03815013 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 -7.8109 4.9426 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC03814916 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -11.4498 3.1392 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814911 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -7.8115 -0.4574 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 23 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC00007486 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.4064 4.9459 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814908 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -8.8540 5.8420 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 23 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC03814858 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -11.4498 3.1392 0.0000 O 0 0 -10.4133 4.9406 0.0000 O 0 5 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 2 0 22 24 1 0 M CHG 1 24 -1 M END > ZINC03814829 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -8.8540 5.8420 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 23 1 0 7 8 1 0 7 9 1 0 9 10 1 0 11 10 1 6 11 22 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 15 22 1 0 16 17 1 0 16 21 1 0 17 18 2 0 18 19 1 0 18 20 1 0 23 24 1 0 M END > ZINC03814886 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -11.7082 1.7885 0.0000 C 0 0 -11.7101 2.9885 0.0000 C 0 0 -12.7505 3.5864 0.0000 O 0 0 -10.4114 3.7406 0.0000 N 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814834 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 24 1 0 21 22 1 0 21 23 1 0 M END > ZINC03814855 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.4070 -0.4602 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814867 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.1427 3.6105 0.0000 C 0 0 -9.1044 3.0089 0.0000 O 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9064 6.0090 0.0000 O 0 0 -3.9080 7.2089 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 23 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 20 2 0 11 12 1 0 12 13 2 0 13 18 1 0 13 14 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 23 24 1 0 M END > ZINC03815024 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -7.8109 4.9426 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 23 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC03815015 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -7.8115 -0.4574 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 23 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC03815014 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -7.8115 -0.4574 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.2138 3.7454 0.0000 O 0 0 -5.2154 4.9454 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 23 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC03815008 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.4070 -0.4602 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814998 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -9.0990 7.2097 0.0000 C 0 0 -9.1009 6.0097 0.0000 O 0 0 -7.8028 5.2564 0.0000 C 0 0