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 $$$$ SciTegic07110717232D 16 17 0 0 0 0 999 V2000 -3.9112 2.6992 0.0000 C 0 0 -3.9106 1.4992 0.0000 C 0 0 1 0 0 0 -4.9497 0.8990 0.0000 C 0 0 -2.8715 2.0994 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 2 5 1 0 5 16 1 6 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 9 16 1 0 10 11 1 0 10 15 1 0 11 12 2 0 12 13 1 0 12 14 1 0 M END > ZINC03814902 > 1 $$$$ SciTegic07110717232D 20 21 0 0 0 0 999 V2000 -4.9447 3.6050 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 1 0 0 0 -2.8664 3.6008 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 C 0 0 1 0 0 0 -4.9447 -3.6050 0.0000 C 0 0 -2.8664 -3.6008 0.0000 C 0 0 2 1 1 1 2 3 1 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 6 17 1 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 13 15 1 0 17 18 1 0 18 19 1 6 18 20 1 0 M END > ZINC00006616 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 17 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 16 18 1 0 M END > ZINC03814933 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 8 7 1 6 8 19 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 12 19 1 0 13 14 1 0 13 18 1 0 14 15 2 0 15 16 1 0 15 17 1 0 M END > ZINC03814891 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -8.8414 -1.3675 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 17 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 16 18 1 0 M END > ZINC03814935 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814936 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -6.5165 2.6901 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 9 8 1 6 9 20 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 20 1 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03814892 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -6.4987 -2.7098 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 9 8 1 6 9 20 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 20 1 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03814893 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.5627 3.5860 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814934 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.5627 3.5860 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC00023462 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.5389 -3.6126 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814895 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -10.1433 -0.9181 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814896 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -10.1433 -0.9181 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 S 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814942 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.5627 3.5860 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -6.5125 1.4901 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 S 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814941 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -10.1433 -0.9181 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 11 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814937 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -7.5389 -3.6126 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -7.5626 3.5860 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 22 1 0 7 8 1 0 7 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 22 23 1 0 M END > ZINC00007330 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -10.1433 -0.9181 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -6.4946 -3.0107 0.0000 O 0 0 -5.4526 -3.6058 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 12 11 1 6 12 23 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 16 23 1 0 17 18 1 0 17 22 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC00023463 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -6.4977 -3.0107 0.0000 C 0 0 1 0 0 0 -5.4569 -3.6079 0.0000 F 0 0 -7.5352 -3.6137 0.0000 F 0 0 -6.4943 -4.2107 0.0000 F 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 11 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 1 7 9 1 0 7 10 1 0 12 11 1 6 12 23 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 16 23 1 0 17 18 1 0 17 22 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03814897 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -10.1433 -0.9181 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -6.4946 -3.0107 0.0000 O 0 0 -5.4526 -3.6058 0.0000 C 0 0 -3.9122 1.4966 0.0000 S 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M END > ZINC03814943 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -7.5627 3.5860 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -7.5389 -3.6126 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 23 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 23 24 1 0 M END > ZINC00000640 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1098 1.4847 0.0000 O 0 0 -9.1120 2.6847 0.0000 C 0 0 -9.0999 -1.5215 0.0000 O 0 0 -9.0942 -2.7215 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 13 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC00007519 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -6.5206 2.9910 0.0000 O 0 0 -7.5627 3.5860 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -7.5389 -3.6126 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 15 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 11 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 23 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 23 24 1 0 M END > ZINC03814938 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1098 1.4847 0.0000 O 0 0 -9.1120 2.6847 0.0000 C 0 0 -6.5008 -3.0107 0.0000 O 0 0 -7.5389 -3.6126 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 23 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 23 24 1 0 M END > ZINC03814837 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -4.9571 8.0989 0.0000 C 0 0 -3.9167 7.5009 0.0000 O 0 0 -3.9129 6.0001 0.0000 C 0 0 -5.2115 5.2494 0.0000 C 0 0 -5.2108 3.7494 0.0000 C 0 0 -3.9114 3.0001 0.0000 C 0 0 -2.6127 3.7507 0.0000 C 0 0 -2.6135 5.2507 0.0000 C 0 0 -1.3125 5.9991 0.0000 O 0 0 -0.2739 5.3982 0.0000 C 0 0 -3.9106 1.4992 0.0000 S 0 0 1 0 0 0 -4.9497 0.8990 0.0000 O 0 0 -2.8715 2.0994 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 11 6 1 1 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 13 2 0 11 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 22 24 1 0 M END > ZINC03814944 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -9.1098 1.4847 0.0000 O 0 0 -9.1120 2.6847 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -10.1433 -0.9181 0.0000 C 0 0 -6.4946 -3.0107 0.0000 O 0 0 -5.4526 -3.6058 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 15 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 11 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 25 1 0 18 19 2 0 18 23 1 0 19 20 1 0 19 21 1 0 21 22 1 0 23 24 1 0 25 26 1 0 M END > ZINC03814940 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -0.2593 -5.3859 0.0000 C 0 0 -1.2955 -5.9911 0.0000 O 0 0 -2.5995 -5.2481 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -3.8958 -6.0028 0.0000 C 0 0 -3.8935 -7.5036 0.0000 O 0 0 -4.9314 -8.1059 0.0000 C 0 0 -6.4931 -6.0153 0.0000 O 0 0 -6.4870 -7.2153 0.0000 C 0 0 -6.2444 -3.1613 0.0000 Br 0 0 -3.9091 -1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 3.6321 1.3486 0.0000 N 0 0 1.2964 -2.6973 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 14 1 0 6 7 2 0 6 13 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 14 26 1 0 15 16 1 0 15 26 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 18 25 1 0 19 20 1 0 19 24 1 0 20 21 2 0 21 22 1 0 21 23 1 0 25 26 1 0 M CHG 1 26 1 M END > ZINC03814988 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814918 > 3 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814922 > 3 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814839 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814833 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 9 8 1 6 9 20 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 20 1 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03814879 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8109 4.9426 0.0000 Br 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814881 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814928 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -5.2047 5.2560 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -8.8419 5.8566 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 11 2 0 11 16 1 0 11 12 1 0 12 13 2 0 12 20 1 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815020 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03815022 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 21 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814905 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814999 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814907 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814996 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814840 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9494 0.9039 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 10 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 10 19 2 0 10 11 1 0 11 12 2 0 12 17 1 0 12 13 1 0 13 14 2 0 13 21 1 0 14 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03814959 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815005 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -10.1493 3.5928 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03815001 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8109 4.9426 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03815000 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC03814859 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC03814906 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -9.0990 7.2097 0.0000 C 0 0 -9.1009 6.0097 0.0000 O 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 1 0 11 20 2 0 11 12 1 0 12 13 2 0 13 18 1 0 13 14 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03814982 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 21 1 0 5 6 1 0 6 7 1 0 7 8 1 0 9 8 1 6 9 20 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 13 20 1 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03814890 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.4728 3.5924 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 7 1 0 8 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814878 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 4 3 1 6 4 15 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 11 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC03814880 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 9 1 0 10 9 1 6 10 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 14 21 1 0 15 16 1 0 15 20 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03814877 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -8.8548 -1.3566 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814929 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -11.4498 3.1392 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814903 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -8.8540 5.8420 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814931 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03814972 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814913 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC03814973 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03814860 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8115 -0.4574 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 22 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03815023 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC00007637 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 18 20 1 0 M END > ZINC03814915 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8109 4.9426 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 4 21 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03814917 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC03815006 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -10.4133 4.9406 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -11.4498 3.1392 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M END > ZINC03814835 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 20 22 1 0 M END > ZINC03814945 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 M END > ZINC03814932 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 4 3 1 6 4 15 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 11 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 20 22 1 0 M END > ZINC03814876 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 M END > ZINC03815002 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 1 0 M END > ZINC03815003 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 1 0 M END > ZINC03814904 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 M END > ZINC03814976 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 21 22 1 0 M END > ZINC03814914 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 20 22 1 0 M END > ZINC03814854 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -10.4133 4.9406 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -11.4498 3.1392 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M END > ZINC03814923 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 M END > ZINC03814979 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 M END > ZINC03814978 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 M END > ZINC03814977 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 M END > ZINC03814930 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -7.8109 4.9426 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8115 -0.4574 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 23 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03815013 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Cl 0 0 -7.8109 4.9426 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC03814916 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -11.4498 3.1392 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814911 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -7.8115 -0.4574 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 23 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC00007486 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.4064 4.9459 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814908 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -8.8540 5.8420 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 23 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC03814858 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -11.4498 3.1392 0.0000 O 0 0 -10.4133 4.9406 0.0000 O 0 5 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 2 0 22 24 1 0 M CHG 1 24 -1 M END > ZINC03814829 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -8.8540 5.8420 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 23 1 0 7 8 1 0 7 9 1 0 9 10 1 0 11 10 1 6 11 22 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 15 22 1 0 16 17 1 0 16 21 1 0 17 18 2 0 18 19 1 0 18 20 1 0 23 24 1 0 M END > ZINC03814886 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -11.7082 1.7885 0.0000 C 0 0 -11.7101 2.9885 0.0000 C 0 0 -12.7505 3.5864 0.0000 O 0 0 -10.4114 3.7406 0.0000 N 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814834 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 24 1 0 21 22 1 0 21 23 1 0 M END > ZINC03814855 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.4070 -0.4602 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814867 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.1427 3.6105 0.0000 C 0 0 -9.1044 3.0089 0.0000 O 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9064 6.0090 0.0000 O 0 0 -3.9080 7.2089 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 23 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 20 2 0 11 12 1 0 12 13 2 0 13 18 1 0 13 14 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 23 24 1 0 M END > ZINC03815024 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -7.8109 4.9426 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 23 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC03815015 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -7.8115 -0.4574 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 23 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC03815014 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -7.8115 -0.4574 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.2138 3.7454 0.0000 O 0 0 -5.2154 4.9454 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 23 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 20 1 0 13 14 2 0 14 15 1 0 14 17 1 0 15 16 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 23 24 1 0 M END > ZINC03815008 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.4070 -0.4602 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814998 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -9.0990 7.2097 0.0000 C 0 0 -9.1009 6.0097 0.0000 O 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -9.1013 3.0035 0.0000 O 0 0 -9.0998 1.8035 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 13 1 0 13 22 2 0 13 14 1 0 14 15 2 0 15 20 1 0 15 16 1 0 16 17 2 0 16 24 1 0 17 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03814981 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 23 24 1 0 M END > ZINC03814975 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 M END > ZINC03814974 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.1427 3.6105 0.0000 C 0 0 -9.1044 3.0089 0.0000 O 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9064 6.0090 0.0000 O 0 0 -3.9080 7.2089 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 23 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 20 2 0 11 12 1 0 12 13 2 0 13 18 1 0 13 14 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 23 24 1 0 M END > ZINC03814963 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -10.4133 4.9406 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -11.4498 3.1392 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814924 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03814949 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03814948 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 14 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 12 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 22 24 1 0 M END > ZINC03814862 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -8.8540 5.8420 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 24 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 21 1 0 14 15 2 0 15 16 1 0 15 18 1 0 16 17 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 22 1 0 24 25 1 0 M END > ZINC03814856 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -8.8540 5.8420 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 24 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 21 1 0 14 15 2 0 15 16 1 0 15 18 1 0 16 17 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 22 1 0 24 25 1 0 M END > ZINC03814851 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03814997 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 S 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03815004 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03815012 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -4.9494 0.9039 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -3.9064 6.0090 0.0000 O 0 0 -3.9080 7.2090 0.0000 C 0 0 -9.1044 3.0089 0.0000 O 0 0 -10.1427 3.6105 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 14 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 12 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 12 13 1 0 14 23 2 0 14 15 1 0 15 16 2 0 16 21 1 0 16 17 1 0 17 18 2 0 17 25 1 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC00006585 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03814912 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03814910 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03814909 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 4 3 1 6 4 15 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 11 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03814887 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -10.4133 4.9406 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -11.4498 3.1392 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.2085 -0.7564 0.0000 C 0 0 -5.2066 -1.9563 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 10 24 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 20 22 1 0 24 25 3 0 M END > ZINC03814925 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2054 -0.7564 0.0000 C 0 0 -4.1644 -1.3532 0.0000 O 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.1496 0.8928 0.0000 Cl 0 0 -10.1493 3.5928 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 18 1 0 16 17 2 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 25 1 0 22 23 1 0 22 24 1 0 M END > ZINC03814947 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03814950 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 1 0 M END > ZINC03814951 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 14 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 22 24 1 0 M END > ZINC03814864 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 14 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 12 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 22 24 1 0 M END > ZINC03814863 > 3 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -4.9494 0.9039 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5003 7.5071 0.0000 O 0 0 -5.4601 8.1054 0.0000 C 0 0 -9.1044 3.0089 0.0000 O 0 0 -10.1427 3.6105 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 14 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 12 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 12 13 1 0 14 23 2 0 14 15 1 0 15 16 2 0 16 21 1 0 16 17 1 0 17 18 2 0 17 25 1 0 18 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03814962 > 3 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -10.4070 -0.4602 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 15 14 1 6 15 26 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 19 26 1 0 20 21 1 0 20 25 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC03814875 > 3 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 21 23 1 0 23 24 1 0 25 26 1 0 M END > ZINC03815016 > 3 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -15.3505 3.5822 0.0000 C 0 0 -14.3101 2.9842 0.0000 C 0 0 -13.0113 3.7363 0.0000 C 0 0 -11.7101 2.9885 0.0000 N 0 0 -10.4114 3.7406 0.0000 C 0 0 -10.4133 4.9406 0.0000 O 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 24 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 23 25 1 0 M END > ZINC03814836 > 3 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 1 0 23 24 1 0 25 26 1 0 M END > ZINC03814954 > 3 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -5.4601 8.1054 0.0000 C 0 0 -6.5003 7.5071 0.0000 O 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -9.1040 6.0044 0.0000 O 0 0 -10.1424 5.4030 0.0000 C 0 0 -9.1013 3.0035 0.0000 O 0 0 -9.0998 1.8035 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 15 1 0 15 24 2 0 15 16 1 0 16 17 2 0 17 22 1 0 17 18 1 0 18 19 2 0 18 26 1 0 19 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815021 > 3 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -7.8115 -0.4574 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.4728 3.5924 0.0000 C 0 0 -10.4083 3.7459 0.0000 C 0 0 -10.4064 4.9459 0.0000 O 0 0 -11.4486 3.1479 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 24 1 0 5 6 2 0 6 7 1 0 6 23 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 24 25 2 0 24 26 1 0 M CHG 1 26 -1 M END > ZINC03814830 > 3 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 25 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 25 26 1 0 M END > ZINC03814953 > 3 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -4.1644 -1.3532 0.0000 C 0 0 -5.2054 -0.7564 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8139 5.2434 0.0000 O 0 0 -8.8540 5.8420 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 17 1 0 5 4 1 6 5 16 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 9 16 1 0 10 11 1 0 10 15 1 0 11 12 2 0 12 13 1 0 12 14 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 25 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 25 26 1 0 M END > ZINC03814888 > 3 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -10.4070 -0.4602 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 24 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 23 25 1 0 M END > ZINC03814868 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8109 5.2434 0.0000 C 0 0 1 0 0 0 -6.7719 5.8440 0.0000 F 0 0 -8.8502 5.8432 0.0000 F 0 0 -7.8113 6.4434 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 6 24 26 1 0 24 27 1 0 M END > ZINC01489187 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 26 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 1 0 26 27 1 0 M END > ZINC00598852 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -10.4133 4.9406 0.0000 O 0 0 -11.7101 2.9885 0.0000 C 0 0 1 0 0 0 -12.7505 3.5864 0.0000 F 0 0 -12.7483 2.3866 0.0000 F 0 0 -11.7082 1.7885 0.0000 F 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 2 0 22 24 1 0 24 25 1 1 24 26 1 0 24 27 1 0 M END > ZINC03814926 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -9.1170 7.1921 0.0000 C 0 0 -9.1147 5.9921 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -7.8146 -0.7583 0.0000 O 0 0 -9.1155 -1.5066 0.0000 C 0 0 -9.1182 -2.7066 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 25 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 22 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 25 26 1 0 26 27 1 0 M END > ZINC03814952 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -10.4070 -0.4602 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 25 1 0 18 19 2 0 19 20 1 0 19 22 1 0 20 21 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 24 26 1 0 M END > ZINC03814852 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 14 1 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 12 13 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 25 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 24 26 1 0 M END > ZINC03814865 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -6.7676 5.8418 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 -10.4117 0.7451 0.0000 O 0 0 -11.4500 1.3467 0.0000 C 0 0 -7.8115 -0.4574 0.0000 Br 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 14 1 0 6 7 2 0 6 13 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 25 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 24 26 1 0 M END > ZINC03814869 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 4 3 1 6 4 15 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 11 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 26 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 1 0 26 27 1 0 M END > ZINC03814883 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -7.8109 5.2434 0.0000 C 0 0 1 0 0 0 -6.7719 5.8440 0.0000 F 0 0 -8.8502 5.8432 0.0000 F 0 0 -7.8113 6.4434 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 1 6 24 26 1 0 24 27 1 0 M END > ZINC03815010 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -4.9494 0.9039 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -3.9064 6.0090 0.0000 O 0 0 -3.9080 7.2090 0.0000 C 0 0 -6.5003 7.5071 0.0000 O 0 0 -5.4601 8.1054 0.0000 C 0 0 -9.1040 6.0044 0.0000 O 0 0 -10.1424 5.4030 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 14 1 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 12 13 1 0 14 15 1 0 16 25 2 0 16 17 1 0 17 18 2 0 18 23 1 0 18 19 1 0 19 20 2 0 19 27 1 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03814961 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -2.8664 3.6008 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5003 7.5071 0.0000 O 0 0 -5.4601 8.1054 0.0000 C 0 0 -9.1009 6.0097 0.0000 O 0 0 -9.0990 7.2097 0.0000 C 0 0 -9.1013 3.0035 0.0000 O 0 0 -9.0998 1.8035 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 13 2 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 2 0 7 15 1 0 8 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 26 1 0 19 20 2 0 19 24 1 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 1 0 26 27 1 0 M END > ZINC03814983 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -4.9494 0.9039 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5003 7.5071 0.0000 O 0 0 -5.4601 8.1054 0.0000 C 0 0 -9.1009 6.0097 0.0000 O 0 0 -9.0990 7.2097 0.0000 C 0 0 -9.1013 3.0035 0.0000 O 0 0 -9.0998 1.8035 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 14 1 0 7 8 2 0 7 12 1 0 8 9 1 0 8 10 1 0 10 11 1 0 12 13 1 0 14 15 1 0 16 25 2 0 16 17 1 0 17 18 2 0 18 23 1 0 18 19 1 0 19 20 2 0 19 27 1 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03814960 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -9.1170 7.1921 0.0000 C 0 0 -9.1147 5.9921 0.0000 C 0 0 -7.8140 5.2434 0.0000 O 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -9.1155 -1.5066 0.0000 C 0 0 -9.1182 -2.7066 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 25 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 13 12 1 6 13 24 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 17 24 1 0 18 19 1 0 18 23 1 0 19 20 2 0 20 21 1 0 20 22 1 0 25 26 1 0 26 27 1 0 M END > ZINC03814889 > 3 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -10.4070 -0.4602 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 25 1 0 18 19 2 0 19 20 1 0 19 22 1 0 20 21 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 24 26 1 0 M END > ZINC03814857 > 3 $$$$ SciTegic07110717232D 28 30 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8109 5.2434 0.0000 C 0 0 1 0 0 0 -6.7719 5.8440 0.0000 F 0 0 -8.8502 5.8432 0.0000 F 0 0 -7.8113 6.4434 0.0000 F 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 25 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 25 26 1 6 25 27 1 0 25 28 1 0 M END > ZINC03815017 > 3 $$$$ SciTegic07110717232D 28 30 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 14 1 0 7 8 2 0 7 12 1 0 8 9 1 0 8 10 1 0 10 11 1 0 12 13 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 26 1 0 19 20 2 0 20 21 1 0 20 23 1 0 21 22 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC03814853 > 3 $$$$ SciTegic07110717232D 28 30 0 0 0 0 999 V2000 -5.2066 -1.9563 0.0000 C 0 0 -5.2085 -0.7564 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4114 3.7406 0.0000 C 0 0 -10.4133 4.9406 0.0000 O 0 0 -11.7101 2.9885 0.0000 C 0 0 1 0 0 0 -12.7505 3.5864 0.0000 F 0 0 -12.7483 2.3866 0.0000 F 0 0 -11.7082 1.7885 0.0000 F 0 0 1 2 3 0 2 3 1 0 3 4 1 0 3 17 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 13 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 23 24 2 0 23 25 1 0 25 26 1 1 25 27 1 0 25 28 1 0 M END > ZINC03814927 > 3 $$$$ SciTegic07110717232D 28 30 0 0 0 0 999 V2000 -1.5668 3.1446 0.0000 C 0 0 -2.6040 3.7480 0.0000 C 0 0 -3.9067 3.0027 0.0000 N 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -6.5003 7.5071 0.0000 O 0 0 -5.4601 8.1054 0.0000 C 0 0 -9.1009 6.0097 0.0000 O 0 0 -9.0990 7.2097 0.0000 C 0 0 -9.1013 3.0035 0.0000 O 0 0 -9.0998 1.8035 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 17 1 0 4 5 1 0 5 14 2 0 5 6 1 0 6 7 2 0 7 12 1 0 7 8 1 0 8 9 2 0 8 16 1 0 9 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 27 1 0 20 21 2 0 20 25 1 0 21 22 1 0 21 23 1 0 23 24 1 0 25 26 1 0 27 28 1 0 M END > ZINC03814984 > 3 $$$$ SciTegic07110717232D 28 30 0 0 0 0 999 V2000 -10.4070 -0.4602 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -10.4083 3.7459 0.0000 O 0 0 -10.4064 4.9459 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -5.2085 -0.7564 0.0000 C 0 0 -5.2066 -1.9563 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 13 27 1 0 15 14 1 6 15 26 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 19 26 1 0 20 21 1 0 20 25 1 0 21 22 2 0 22 23 1 0 22 24 1 0 27 28 3 0 M END > ZINC03814885 > 3 $$$$ SciTegic07110717232D 28 30 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 17 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 14 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 13 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 27 1 0 20 21 2 0 20 25 1 0 21 22 1 0 21 23 1 0 23 24 1 0 25 26 1 0 27 28 1 0 M END > ZINC03814850 > 3 $$$$ SciTegic07110717232D 29 31 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2054 -0.7564 0.0000 C 0 0 -4.1644 -1.3532 0.0000 O 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 18 1 0 16 17 2 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 28 1 0 21 22 2 0 21 26 1 0 22 23 1 0 22 24 1 0 24 25 1 0 26 27 1 0 28 29 1 0 M END > ZINC03814946 > 3 $$$$ SciTegic07110717232D 29 31 0 0 0 0 999 V2000 -4.1644 -1.3532 0.0000 C 0 0 -5.2054 -0.7564 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 18 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 15 1 0 8 9 2 0 9 10 1 0 9 12 1 0 10 11 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 2 0 14 16 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 28 1 0 21 22 2 0 21 26 1 0 22 23 1 0 22 24 1 0 24 25 1 0 26 27 1 0 28 29 1 0 M END > ZINC03814956 > 3 $$$$ SciTegic07110717232D 30 32 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2054 -0.7564 0.0000 C 0 0 -3.9034 -1.5028 0.0000 C 0 0 -2.8624 -2.0997 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -10.4086 0.7398 0.0000 O 0 0 -10.4070 -0.4602 0.0000 C 0 0 -10.4114 3.7406 0.0000 O 0 0 -11.4498 3.1392 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 19 1 0 16 17 1 0 17 18 3 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 29 1 0 22 23 2 0 22 27 1 0 23 24 1 0 23 25 1 0 25 26 1 0 27 28 1 0 29 30 1 0 M END > ZINC03814955 > 3 $$$$ SciTegic07110717232D 31 33 0 0 0 0 999 V2000 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -10.4083 3.7459 0.0000 C 0 0 -11.4486 3.1479 0.0000 O 0 0 -10.4060 5.2468 0.0000 N 0 0 -11.7041 6.0000 0.0000 C 0 0 1 0 0 0 -11.7018 7.5008 0.0000 C 0 0 -12.9999 8.2540 0.0000 C 0 0 -12.9981 9.4540 0.0000 O 0 0 -13.0068 5.2547 0.0000 C 0 0 -14.0440 5.8581 0.0000 O 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -14.0403 7.6560 0.0000 O 0 5 -13.0111 4.0547 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 10 9 1 6 10 11 1 0 10 14 1 0 11 12 1 0 12 13 2 0 12 30 1 0 14 15 2 0 14 31 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 27 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 24 29 1 0 25 26 1 0 26 27 2 0 26 28 1 0 M CHG 2 30 -1 31 -1 M END > ZINC03814838 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 9.0832 1.4888 0.0000 C 0 0 8.5716 0.4033 0.0000 O 0 0 7.0761 0.2776 0.0000 C 0 0 6.2225 1.5111 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 6.4347 -1.0784 0.0000 C 0 0 4.2991 -2.5581 0.0000 O 0 0 4.9821 -3.5447 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 7 9 1 0 9 10 1 0 11 15 2 0 11 12 1 0 12 13 1 0 13 19 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 21 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03814994 > 4 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 4.2991 -2.5581 0.0000 O 0 0 4.9822 -3.5448 0.0000 C 0 0 6.8670 2.8664 0.0000 O 0 0 8.0631 2.9627 0.0000 C 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 1 2 1 0 2 10 2 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 4 22 1 0 5 6 1 0 6 7 2 0 6 21 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 19 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 19 20 1 0 M END > ZINC03814992 > 4 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -10.4041 -0.7684 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -3.9141 2.6966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M END > ZINC03814841 > 5 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5141 2.6924 0.0000 O 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -10.4041 -0.7684 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03814842 > 5 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -10.1387 -3.6169 0.0000 C 0 0 -9.1006 -3.0149 0.0000 O 0 0 -9.1025 -1.5141 0.0000 C 0 0 -10.4041 -0.7684 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5141 2.6924 0.0000 O 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -9.1206 2.9867 0.0000 O 0 0 -10.1627 3.5817 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 25 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 25 26 1 0 M END > ZINC03814844 > 5 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -11.7120 2.6803 0.0000 C 0 0 -11.7098 1.4803 0.0000 O 0 0 -10.4091 0.7316 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -10.4041 -0.7684 0.0000 C 0 0 -9.1006 -3.0149 0.0000 O 0 0 -10.1387 -3.6169 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5141 2.6924 0.0000 O 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 24 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 23 24 2 0 23 25 1 0 M END > ZINC03814846 > 5 $$$$ SciTegic07110717232D 28 30 0 0 0 0 999 V2000 -11.6941 -2.7258 0.0000 C 0 0 -11.6998 -1.5258 0.0000 O 0 0 -10.4041 -0.7684 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -11.7098 1.4803 0.0000 O 0 0 -11.7120 2.6803 0.0000 C 0 0 -9.1206 2.9867 0.0000 O 0 0 -10.1627 3.5817 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5141 2.6924 0.0000 O 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 13 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 26 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC03814845 > 5 $$$$ SciTegic07110717232D 28 30 0 0 0 0 999 V2000 -11.7120 2.6803 0.0000 C 0 0 -11.7098 1.4803 0.0000 O 0 0 -10.4091 0.7316 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -10.4041 -0.7684 0.0000 C 0 0 -11.6998 -1.5258 0.0000 O 0 0 -11.6941 -2.7258 0.0000 C 0 0 -9.0944 -3.0149 0.0000 O 0 0 -8.0524 -3.6100 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5141 2.6924 0.0000 O 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 26 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC00591054 > 5 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.6321 1.3486 0.0000 N 0 0 1.2964 -2.6973 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -2.6120 -3.7568 0.0000 O 0 0 -2.6146 -4.9568 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 4 15 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 7 14 1 0 8 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 M END > ZINC03814847 > 6 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 6.3709 -3.8465 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 7.0935 0.0555 0.0000 O 0 0 8.2934 0.0632 0.0000 C 0 0 4.1334 -5.1654 0.0000 O 0 0 4.7430 -6.1990 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 13 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 12 1 0 8 9 2 0 9 10 1 0 9 11 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 22 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 22 23 1 0 M END > ZINC03814993 > 7 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.8506 -1.2602 0.0000 C 0 0 4.1108 -2.5652 0.0000 C 0 0 4.8709 -3.8583 0.0000 C 0 0 6.3709 -3.8465 0.0000 C 0 0 7.1107 -2.5417 0.0000 C 0 0 6.3505 -1.2485 0.0000 C 0 0 6.9424 -0.2047 0.0000 Br 0 0 8.6114 -2.5268 0.0000 O 0 0 9.2018 -1.4821 0.0000 C 0 0 7.1341 -5.1388 0.0000 O 0 0 8.3341 -5.1277 0.0000 C 0 0 4.1280 -5.1624 0.0000 O 0 0 2.9281 -5.1701 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 13 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 12 1 0 8 9 2 0 9 10 1 0 9 11 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 25 1 0 17 18 2 0 17 23 1 0 18 19 1 0 18 21 1 0 19 20 1 0 21 22 1 0 23 24 1 0 25 26 1 0 M END > ZINC03814870 > 7 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2.6034 -5.2475 0.0000 C 0 0 1 0 0 0 1.3067 -5.9966 0.0000 C 0 0 1.3173 -7.5095 0.0000 C 0 0 2.6147 -8.2565 0.0000 C 0 0 3.9106 -7.5064 0.0000 C 0 0 5.2080 -8.2534 0.0000 C 0 0 5.2095 -9.7504 0.0000 N 0 0 3.9137 -10.5005 0.0000 C 0 0 2.6163 -9.7535 0.0000 N 0 0 3.9150 -11.7005 0.0000 N 0 0 6.2465 -7.6522 0.0000 N 0 0 3.9090 -6.0093 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 13 12 1 6 13 24 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 17 24 1 0 18 19 1 0 18 23 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03814882 > 8 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 C 0 0 2.6003 -3.7467 0.0000 N 0 0 2.6034 -5.2475 0.0000 C 0 0 1.3067 -5.9966 0.0000 C 0 0 1.3173 -7.5095 0.0000 C 0 0 2.6147 -8.2565 0.0000 C 0 0 3.9106 -7.5064 0.0000 C 0 0 3.9090 -6.0093 0.0000 C 0 0 5.2080 -8.2534 0.0000 C 0 0 5.2095 -9.7504 0.0000 N 0 0 3.9137 -10.5005 0.0000 C 0 0 2.6163 -9.7535 0.0000 N 0 0 3.9150 -11.7005 0.0000 N 0 0 6.2465 -7.6522 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814861 > 8 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2.6034 -5.2475 0.0000 C 0 0 1.2978 -6.0094 0.0000 C 0 0 1.2963 -7.5064 0.0000 C 0 0 -0.0010 -8.2535 0.0000 C 0 0 -0.0025 -9.7505 0.0000 N 0 0 1.2934 -10.5006 0.0000 C 0 0 2.5907 -9.7535 0.0000 N 0 0 2.5922 -8.2565 0.0000 C 0 0 3.8896 -7.5094 0.0000 N 0 0 3.9002 -5.9966 0.0000 C 0 0 1.2921 -11.7006 0.0000 N 0 0 -1.0396 -7.6524 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 22 2 0 13 14 1 0 14 15 2 0 15 20 1 0 15 16 1 0 16 17 2 0 16 24 1 0 17 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815019 > 8 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 C 0 0 2.6003 -3.7467 0.0000 N 0 0 2.6034 -5.2475 0.0000 C 0 0 1.2978 -6.0094 0.0000 C 0 0 1.2963 -7.5064 0.0000 C 0 0 -0.0010 -8.2535 0.0000 C 0 0 -0.0025 -9.7505 0.0000 N 0 0 1.2934 -10.5006 0.0000 C 0 0 2.5907 -9.7535 0.0000 N 0 0 2.5922 -8.2565 0.0000 C 0 0 3.8896 -7.5094 0.0000 N 0 0 3.9002 -5.9966 0.0000 C 0 0 1.2921 -11.7006 0.0000 N 0 0 -1.0396 -7.6524 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 22 2 0 13 14 1 0 14 15 2 0 15 20 1 0 15 16 1 0 16 17 2 0 16 24 1 0 17 18 1 0 18 19 2 0 18 23 1 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03814965 > 8 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2.6034 -5.2475 0.0000 C 0 0 1.3067 -5.9966 0.0000 C 0 0 1.3173 -7.5095 0.0000 C 0 0 2.6147 -8.2565 0.0000 C 0 0 3.9106 -7.5064 0.0000 C 0 0 3.9090 -6.0093 0.0000 N 0 0 5.2080 -8.2534 0.0000 C 0 0 5.2095 -9.7504 0.0000 N 0 0 3.9137 -10.5005 0.0000 C 0 0 2.6163 -9.7535 0.0000 N 0 0 3.9150 -11.7005 0.0000 N 0 0 6.2465 -7.6522 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814920 > 8 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 S 0 0 2.6003 -3.7467 0.0000 C 0 0 2.6034 -5.2475 0.0000 C 0 0 1.3067 -5.9966 0.0000 C 0 0 1.3173 -7.5095 0.0000 C 0 0 2.6147 -8.2565 0.0000 C 0 0 3.9106 -7.5064 0.0000 C 0 0 3.9090 -6.0093 0.0000 N 0 0 5.2080 -8.2534 0.0000 C 0 0 5.2095 -9.7504 0.0000 N 0 0 3.9137 -10.5005 0.0000 C 0 0 2.6163 -9.7535 0.0000 N 0 0 3.9150 -11.7005 0.0000 N 0 0 6.2465 -7.6522 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M END > ZINC03814919 > 8 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.6288 3.1588 0.0000 C 0 0 -2.5870 3.7544 0.0000 N 0 0 -1.2907 2.9981 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 -1.2800 5.9966 0.0000 C 0 0 -1.2817 7.5095 0.0000 C 0 0 -2.5746 8.2642 0.0000 C 0 0 -3.8749 7.5218 0.0000 C 0 0 -3.8823 6.0248 0.0000 C 0 0 -5.1678 8.2765 0.0000 C 0 0 -5.1605 9.7735 0.0000 N 0 0 -3.8602 10.5159 0.0000 C 0 0 -2.5673 9.7612 0.0000 N 0 0 -3.8544 11.7159 0.0000 N 0 0 -6.2099 7.6815 0.0000 N 0 0 1 2 1 0 2 3 1 0 2 14 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 13 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 22 24 1 0 M END > ZINC03814866 > 8 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5112 3.0047 0.0000 C 0 0 -7.8115 3.7470 0.0000 C 0 0 -9.1135 2.9764 0.0000 C 0 0 -9.1061 1.4794 0.0000 C 0 0 -7.8058 0.7371 0.0000 C 0 0 -7.7983 -0.7600 0.0000 C 0 0 -9.0912 -1.5147 0.0000 C 0 0 -10.3916 -0.7724 0.0000 C 0 0 -10.3990 0.7247 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 4 3 1 6 4 15 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 11 13 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 25 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > ZINC03814884 > 8 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5112 3.0047 0.0000 C 0 0 -7.8115 3.7470 0.0000 C 0 0 -9.1135 2.9764 0.0000 C 0 0 -9.1061 1.4794 0.0000 C 0 0 -7.8058 0.7371 0.0000 C 0 0 -7.7983 -0.7600 0.0000 C 0 0 -9.0912 -1.5147 0.0000 C 0 0 -10.3916 -0.7724 0.0000 C 0 0 -10.3990 0.7247 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 16 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 2 0 12 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 25 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > ZINC03814921 > 8 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5112 3.0047 0.0000 C 0 0 -7.8115 3.7470 0.0000 C 0 0 -9.1135 2.9764 0.0000 C 0 0 -9.1061 1.4794 0.0000 C 0 0 -7.8058 0.7371 0.0000 C 0 0 -7.7983 -0.7600 0.0000 C 0 0 -9.0912 -1.5147 0.0000 C 0 0 -10.3916 -0.7724 0.0000 C 0 0 -10.3990 0.7247 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 25 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > ZINC03815011 > 8 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5112 3.0047 0.0000 C 0 0 -7.8115 3.7470 0.0000 C 0 0 -9.1135 2.9764 0.0000 C 0 0 -9.1061 1.4794 0.0000 C 0 0 -7.8058 0.7371 0.0000 C 0 0 -7.7983 -0.7600 0.0000 C 0 0 -9.0912 -1.5147 0.0000 C 0 0 -10.3916 -0.7724 0.0000 C 0 0 -10.3990 0.7247 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 25 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > ZINC03814957 > 8 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2907 -2.9981 0.0000 C 0 0 -2.5870 -3.7544 0.0000 N 0 0 -2.5812 -5.2552 0.0000 C 0 0 -1.2711 -6.0093 0.0000 C 0 0 -1.2607 -7.5063 0.0000 C 0 0 0.0411 -8.2456 0.0000 C 0 0 0.0514 -9.7427 0.0000 N 0 0 -1.2400 -10.5004 0.0000 C 0 0 -2.5417 -9.7611 0.0000 N 0 0 -2.5521 -8.2640 0.0000 C 0 0 -3.8539 -7.5247 0.0000 N 0 0 -3.8735 -6.0120 0.0000 C 0 0 -1.2315 -11.7004 0.0000 N 0 0 1.0761 -7.6384 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 13 1 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 13 14 1 0 14 15 1 0 15 24 2 0 15 16 1 0 16 17 2 0 17 22 1 0 17 18 1 0 18 19 2 0 18 26 1 0 19 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03814966 > 8 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2907 2.9981 0.0000 C 0 0 -2.5870 3.7544 0.0000 N 0 0 -2.5812 5.2552 0.0000 C 0 0 -1.2711 6.0093 0.0000 C 0 0 -1.2607 7.5063 0.0000 C 0 0 0.0411 8.2456 0.0000 C 0 0 0.0514 9.7427 0.0000 N 0 0 -1.2400 10.5004 0.0000 C 0 0 -2.5417 9.7611 0.0000 N 0 0 -2.5521 8.2640 0.0000 C 0 0 -3.8539 7.5247 0.0000 N 0 0 -3.8735 6.0120 0.0000 C 0 0 -1.2315 11.7004 0.0000 N 0 0 1.0761 7.6384 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 24 2 0 15 16 1 0 16 17 2 0 17 22 1 0 17 18 1 0 18 19 2 0 18 26 1 0 19 20 1 0 20 21 2 0 20 25 1 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03814967 > 8 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.2090 -0.4555 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5112 3.0047 0.0000 C 0 0 -7.8115 3.7470 0.0000 C 0 0 -9.1135 2.9764 0.0000 C 0 0 -9.1061 1.4794 0.0000 C 0 0 -7.8058 0.7371 0.0000 C 0 0 -7.7983 -0.7600 0.0000 C 0 0 -9.0912 -1.5147 0.0000 C 0 0 -10.3916 -0.7724 0.0000 C 0 0 -10.3990 0.7247 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 26 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > ZINC03815018 > 8 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5112 3.0047 0.0000 C 0 0 -7.8115 3.7470 0.0000 C 0 0 -9.1135 2.9764 0.0000 C 0 0 -9.1061 1.4794 0.0000 C 0 0 -7.8058 0.7371 0.0000 C 0 0 -7.7983 -0.7600 0.0000 C 0 0 -9.0912 -1.5147 0.0000 C 0 0 -10.3916 -0.7724 0.0000 C 0 0 -10.3990 0.7247 0.0000 C 0 0 -10.4197 3.7155 0.0000 O 0 0 -10.4310 4.9155 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 26 1 0 20 25 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 26 27 1 0 M END > ZINC03814958 > 8 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.3319 -0.7136 0.0000 C 0 0 -6.7986 -1.0405 0.0000 C 0 0 -7.5545 0.2474 0.0000 C 0 0 -6.5577 1.3616 0.0000 C 0 0 -7.0118 2.7954 0.0000 C 0 0 -8.5007 3.1000 0.0000 C 0 0 -9.4975 1.9858 0.0000 C 0 0 -9.0298 0.5398 0.0000 C 0 0 -10.0261 -0.5822 0.0000 O 0 0 -11.2017 -0.3417 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC03814986 > 9 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.3319 -0.7136 0.0000 C 0 0 -6.7986 -1.0405 0.0000 C 0 0 -7.5545 0.2474 0.0000 C 0 0 -6.5577 1.3616 0.0000 C 0 0 -7.0118 2.7954 0.0000 C 0 0 -8.5007 3.1000 0.0000 C 0 0 -9.4975 1.9858 0.0000 C 0 0 -9.0298 0.5398 0.0000 C 0 0 -10.9651 2.3000 0.0000 O 0 0 -11.7700 1.4099 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 M END > ZINC03814969 > 9 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -5.3319 -0.7136 0.0000 C 0 0 -6.7986 -1.0405 0.0000 C 0 0 -7.5545 0.2474 0.0000 C 0 0 -6.5577 1.3616 0.0000 C 0 0 -7.0118 2.7954 0.0000 C 0 0 -8.5007 3.1000 0.0000 C 0 0 -9.4975 1.9858 0.0000 C 0 0 -9.0298 0.5398 0.0000 C 0 0 -10.9651 2.3000 0.0000 O 0 0 -11.7700 1.4099 0.0000 C 0 0 -8.9756 4.5237 0.0000 O 0 0 -8.1803 5.4223 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 26 1 0 22 23 1 0 22 24 1 0 24 25 1 0 26 27 1 0 M END > ZINC03814987 > 9 $$$$ SciTegic07110717232D 27 31 0 0 0 0 999 V2000 -3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 -1.2989 0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 C 0 0 0.0000 1.5002 0.0000 C 0 0 1.2806 0.7501 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 3.8968 0.7501 0.0000 C 0 0 3.8968 -0.7501 0.0000 C 0 0 2.5978 -1.5002 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 0.0000 -1.5002 0.0000 N 0 0 0.0120 -3.0009 0.0000 C 0 0 1.3173 -3.7417 0.0000 C 0 0 2.6073 -2.9810 0.0000 C 0 0 3.9193 -3.7344 0.0000 N 0 0 3.9316 -5.2314 0.0000 C 0 0 2.6412 -5.9908 0.0000 C 0 0 1.3384 -5.2532 0.0000 N 0 0 2.6535 -7.4878 0.0000 C 0 0 3.9562 -8.2254 0.0000 N 0 0 5.2466 -7.4660 0.0000 C 0 0 5.2343 -5.9690 0.0000 N 0 0 6.2908 -8.0574 0.0000 N 0 0 1.6193 -8.0964 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 14 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 25 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 24 26 1 0 M END > ZINC03814848 > 10 $$$$ SciTegic07110717232D 27 31 0 0 0 0 999 V2000 -3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 -1.2989 0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 C 0 0 0.0000 1.5002 0.0000 N 0 0 1.2806 0.7501 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 3.8968 0.7501 0.0000 C 0 0 3.8968 -0.7501 0.0000 C 0 0 2.5978 -1.5002 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 0.0000 -1.5002 0.0000 S 0 0 0.0120 3.0009 0.0000 C 0 0 1.3173 3.7417 0.0000 C 0 0 2.6073 2.9810 0.0000 C 0 0 3.9193 3.7344 0.0000 N 0 0 3.9316 5.2314 0.0000 C 0 0 2.6412 5.9908 0.0000 C 0 0 1.3384 5.2532 0.0000 N 0 0 2.6535 7.4878 0.0000 C 0 0 3.9562 8.2254 0.0000 N 0 0 5.2466 7.4660 0.0000 C 0 0 5.2343 5.9690 0.0000 N 0 0 6.2908 8.0574 0.0000 N 0 0 1.6193 8.0964 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 14 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 7 15 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 25 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 24 26 1 0 M END > ZINC03814849 > 10 $$$$ SciTegic07110717232D 28 32 0 0 0 0 999 V2000 5.1180 0.0933 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 3.3446 -1.7734 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -1.5712 -1.7423 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 0.8553 -2.8717 0.0000 C 0 0 -0.4519 -3.6092 0.0000 C 0 0 -1.7399 -2.8452 0.0000 C 0 0 -3.0539 -3.5951 0.0000 C 0 0 -3.0701 -5.0921 0.0000 C 0 0 -1.7816 -5.8548 0.0000 C 0 0 -0.4770 -5.1206 0.0000 N 0 0 -1.7978 -7.3518 0.0000 C 0 0 -3.1024 -8.0861 0.0000 N 0 0 -4.3909 -7.3233 0.0000 C 0 0 -4.3747 -5.8264 0.0000 N 0 0 -5.4365 -7.9120 0.0000 N 0 0 -0.7651 -7.9631 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 15 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 26 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 23 28 1 0 24 25 1 0 25 26 2 0 25 27 1 0 M END > ZINC03814873 > 11 $$$$ SciTegic07110717232D 28 32 0 0 0 0 999 V2000 5.1180 0.0933 0.0000 C 0 0 4.7913 -1.3067 0.0000 C 0 0 3.3446 -1.7734 0.0000 C 0 0 2.2245 -0.7311 0.0000 C 0 0 2.5823 0.7000 0.0000 C 0 0 4.0135 1.1200 0.0000 C 0 0 1.6490 1.9290 0.0000 C 0 0 0.1244 1.9290 0.0000 C 0 0 -0.7934 0.7623 0.0000 C 0 0 -2.2245 1.1978 0.0000 C 0 0 -3.3290 0.1556 0.0000 C 0 0 -3.0179 -1.2445 0.0000 C 0 0 -1.5712 -1.7423 0.0000 C 0 0 -0.4667 -0.7156 0.0000 C 0 0 0.8711 -1.3689 0.0000 N 0 0 0.8553 -2.8717 0.0000 C 0 0 -0.4519 -3.6092 0.0000 C 0 0 -1.7554 -2.8437 0.0000 C 0 0 -3.0615 -3.5753 0.0000 C 0 0 -4.3480 -2.8098 0.0000 C 0 0 -5.6541 -3.5414 0.0000 N 0 0 -5.6737 -5.0386 0.0000 C 0 0 -4.3872 -5.8041 0.0000 N 0 0 -3.0811 -5.0725 0.0000 C 0 0 -1.7945 -5.8380 0.0000 N 0 0 -0.4702 -5.1066 0.0000 C 0 0 -6.7207 -5.6249 0.0000 N 0 0 -4.3324 -1.6099 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 15 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 26 2 0 17 18 1 0 18 19 2 0 19 24 1 0 19 20 1 0 20 21 2 0 20 28 1 0 21 22 1 0 22 23 2 0 22 27 1 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC03814872 > 11 $$$$ SciTegic07110717232D 29 32 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -7.8109 5.2433 0.0000 C 0 0 -6.5106 5.9912 0.0000 C 0 0 -6.5080 7.4912 0.0000 C 0 0 -7.8058 8.2434 0.0000 C 0 0 -9.1061 7.4956 0.0000 C 0 0 -9.1086 5.9956 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 24 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > ZINC03814968 > 12 $$$$ SciTegic07110717232D 30 33 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 N 0 0 1.2964 2.6973 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -7.8146 -0.7583 0.0000 O 0 0 -8.8548 -1.3566 0.0000 C 0 0 -10.4097 3.7432 0.0000 N 0 0 -10.5451 5.2243 0.0000 C 0 0 -12.0118 5.5387 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -7.8078 5.2434 0.0000 O 0 0 -6.7676 5.8418 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 2 0 10 12 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 29 1 0 19 20 2 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 24 28 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 29 30 1 0 M END > ZINC03814970 > 13 $$$$ SciTegic07110717232D 31 33 0 0 0 0 999 V2000 6.0509 6.0979 0.0000 C 0 0 5.5858 4.6718 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 3.1158 5.4773 0.0000 C 0 0 3.5808 6.9034 0.0000 C 0 0 5.0484 7.2137 0.0000 C 0 0 5.5108 8.6415 0.0000 C 0 0 6.6844 8.8918 0.0000 O 0 0 4.5061 9.7565 0.0000 N 0 0 4.9685 11.1843 0.0000 C 0 0 1 0 0 0 3.9639 12.2993 0.0000 C 0 0 4.4262 13.7272 0.0000 C 0 0 3.4216 14.8421 0.0000 C 0 0 3.7913 15.9838 0.0000 O 0 0 6.4357 11.5004 0.0000 C 0 0 6.8041 12.6424 0.0000 O 0 0 3.6500 2.9355 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.2480 14.5919 0.0000 O 0 5 7.2408 10.6105 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 17 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 10 9 1 1 10 11 1 0 10 15 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 30 1 0 15 16 2 0 15 31 1 0 17 18 1 0 18 19 1 0 19 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 29 1 0 25 26 2 0 26 27 1 0 26 28 1 0 M CHG 2 30 -1 31 -1 M END > ZINC03814990 > 14 $$$$ SciTegic07110717232D 32 34 0 0 0 0 999 V2000 4.4505 2.0415 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 4.1182 4.3614 0.0000 C 0 0 3.1158 5.4773 0.0000 C 0 0 3.5808 6.9034 0.0000 C 0 0 5.0484 7.2137 0.0000 C 0 0 6.0509 6.0979 0.0000 C 0 0 5.5858 4.6718 0.0000 C 0 0 5.5166 8.6396 0.0000 C 0 0 4.7162 9.5337 0.0000 O 0 0 6.9854 8.9480 0.0000 N 0 0 7.4537 10.3739 0.0000 C 0 0 1 0 0 0 8.9225 10.6823 0.0000 C 0 0 9.3907 12.1082 0.0000 C 0 0 10.8595 12.4165 0.0000 C 0 0 11.2339 13.5566 0.0000 O 0 0 6.4549 11.4941 0.0000 C 0 0 6.8305 12.6338 0.0000 O 0 0 11.6600 11.5225 0.0000 O 0 5 5.2800 11.2500 0.0000 O 0 5 1 2 1 0 2 3 1 0 2 15 1 0 3 4 1 0 4 8 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 11 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 23 1 0 24 23 1 6 24 25 1 0 24 29 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 31 1 0 29 30 2 0 29 32 1 0 M CHG 2 31 -1 32 -1 M END > ZINC03814991 > 14 $$$$ SciTegic07110717232D 32 34 0 0 0 0 999 V2000 4.4505 2.0415 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 4.1182 4.3614 0.0000 C 0 0 3.1158 5.4773 0.0000 C 0 0 3.5808 6.9034 0.0000 C 0 0 5.0484 7.2137 0.0000 C 0 0 6.0509 6.0979 0.0000 C 0 0 5.5858 4.6718 0.0000 C 0 0 5.5166 8.6396 0.0000 C 0 0 4.7162 9.5337 0.0000 O 0 0 6.9854 8.9480 0.0000 N 0 0 7.4537 10.3739 0.0000 C 0 0 1 0 0 0 8.9225 10.6823 0.0000 C 0 0 9.3907 12.1082 0.0000 C 0 0 10.8595 12.4165 0.0000 C 0 0 11.2339 13.5566 0.0000 O 0 0 6.4549 11.4941 0.0000 C 0 0 6.8305 12.6338 0.0000 O 0 0 11.6600 11.5225 0.0000 O 0 5 5.2800 11.2500 0.0000 O 0 5 1 2 1 0 2 3 1 0 2 15 1 0 3 4 1 0 4 8 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 11 13 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 23 1 0 24 23 1 6 24 25 1 0 24 29 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 31 1 0 29 30 2 0 29 32 1 0 M CHG 2 31 -1 32 -1 M END > ZINC03814989 > 14 $$$$