SciTegic07110717232D 17 19 0 0 0 0 999 V2000 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -5.9323 -3.1786 0.0000 Br 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 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 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC02640583 > 1 $$$$ SciTegic07110717232D 17 19 0 0 0 0 999 V2000 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -5.9323 -3.1786 0.0000 Br 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 15 1 0 12 13 2 0 13 14 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815185 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5845 7.2231 0.0000 Br 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00020644 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5845 7.2231 0.0000 F 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03815359 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -5.9259 5.8786 0.0000 F 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 M END > ZINC03815360 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -5.9323 -3.1786 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 3.7889 0.0269 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815361 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5845 7.2231 0.0000 Cl 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00007282 > 1 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5837 7.5239 0.0000 C 0 0 -3.5809 8.7239 0.0000 N 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 3 0 M END > ZINC03815304 > 1 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 0.0446 3.6095 0.0000 C 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5845 7.2231 0.0000 Cl 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03815353 > 1 $$$$ SciTegic07110717232D 17 19 0 0 0 0 999 V2000 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC00118570 > 2 $$$$ SciTegic07110717232D 17 19 0 0 0 0 999 V2000 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815331 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00151213 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00151212 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 18 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815388 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 6.2356 3.1342 0.0000 C 0 0 5.1985 3.7378 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC00104621 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815229 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 5.2037 -5.2377 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 7 1 1 5 6 1 0 8 7 1 6 8 16 1 0 8 9 1 0 9 13 1 0 9 10 1 4 10 18 1 0 11 12 1 0 11 17 1 4 11 18 1 0 13 12 1 4 13 14 1 0 14 15 1 0 15 16 1 0 M END > ZINC03815317 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815247 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815375 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815227 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815274 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 I 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00151214 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 O 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03815386 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00118581 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 I 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815055 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 I 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815319 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815146 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 3 0 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 3.8927 -1.7922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 18 1 4 5 6 1 0 5 7 1 1 8 7 1 4 8 16 1 0 8 9 1 0 9 13 1 0 9 10 1 4 10 19 1 0 11 12 1 0 11 17 1 1 11 19 1 0 13 12 1 4 13 14 1 0 14 15 1 0 15 16 1 0 M END > ZINC03815314 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 F 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815398 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 7.5376 3.5834 0.0000 C 0 0 6.4972 2.9855 0.0000 O 0 0 5.1985 3.7378 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 19 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC00104782 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815197 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815196 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -1.2928 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815276 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815251 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815264 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815202 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815203 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815236 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815238 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 O 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 4 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815259 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815280 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 F 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815242 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1 0 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 18 1 0 9 10 1 0 10 11 1 0 10 19 1 4 11 12 1 4 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 6 14 19 1 0 16 17 1 0 17 18 1 0 M END > ZINC03813425 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815036 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 -1.2964 -1.4973 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 12 1 0 12 13 1 0 13 18 1 4 13 19 1 0 14 15 1 4 14 19 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815410 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Cl 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815046 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 19 1 0 14 13 1 6 13 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815035 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815034 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815282 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Cl 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815281 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3 0 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 6.2450 -5.8341 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 18 1 4 4 5 1 0 5 6 1 0 6 7 1 6 8 7 1 6 8 16 1 0 8 9 1 0 9 13 1 0 9 10 1 4 10 19 1 0 11 12 1 0 11 17 1 4 11 19 1 0 13 12 1 4 13 14 1 0 14 15 1 0 15 16 1 0 M END > ZINC03813430 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03813429 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815072 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815374 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9114 7.1922 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 3 0 0 0 5.2037 5.2377 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 4 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 1 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 19 1 0 14 13 1 4 13 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815124 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815338 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 1.2933 2.9981 0.0000 N 0 0 -0.0075 3.7467 0.0000 C 0 0 3 0 0 0 -1.3040 2.9922 0.0000 C 0 0 -2.6056 3.7377 0.0000 C 0 0 -2.6108 5.2377 0.0000 C 0 0 -1.3144 5.9922 0.0000 C 0 0 -0.0128 5.2467 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 19 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 4 6 8 1 0 7 19 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 6 13 12 1 4 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 M END > ZINC03815176 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 F 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815111 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -1.2928 -2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815343 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815100 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815101 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC00020362 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 12 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815232 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -4.9506 0.8952 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 20 1 0 12 13 1 0 12 18 1 4 12 20 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 M END > ZINC03815097 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9072 -2.7019 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 M END > ZINC03815163 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815162 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 12 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815029 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 20 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 4 6 8 1 0 7 20 1 0 8 9 1 0 8 12 1 4 9 10 1 0 10 11 1 0 13 12 1 1 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 1 M END > ZINC03815037 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.6486 1.3517 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815038 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815411 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815159 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 20 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 6 6 8 1 0 7 20 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 4 13 12 1 6 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 6 M END > ZINC03815042 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815286 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 4.9577 -8.0880 0.0000 C 0 0 3.9155 -7.4930 0.0000 O 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 6 3 8 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 6 10 9 1 1 10 18 1 0 10 11 1 0 11 15 1 0 11 12 1 4 12 20 1 0 13 14 1 0 13 19 1 4 13 20 1 0 15 14 1 4 15 16 1 0 16 17 1 0 17 18 1 0 M END > ZINC03815284 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815144 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815183 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 20 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 6 6 8 1 0 7 20 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 4 13 12 1 6 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 6 M END > ZINC03813424 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815137 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC02391776 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 6.2356 3.1342 0.0000 C 0 0 5.1985 3.7378 0.0000 C 0 0 2 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3 0 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -4.9506 0.8952 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 1 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 20 1 0 14 13 1 4 13 20 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 M END > ZINC03815060 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815140 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815138 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 20 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 18 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815143 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815070 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815320 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815069 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815332 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815248 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 7.5438 -5.3759 0.0000 C 0 0 6.5076 -5.9810 0.0000 O 0 0 5.2037 -5.2377 0.0000 C 0 0 3 0 0 0 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 8 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 9 1 1 7 8 1 0 10 9 1 6 10 18 1 0 10 11 1 0 11 15 1 0 11 12 1 4 12 20 1 0 13 14 1 0 13 19 1 4 13 20 1 0 15 14 1 4 15 16 1 0 16 17 1 0 17 18 1 0 M END > ZINC03815373 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 12 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815118 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 12 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815117 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9114 7.1922 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 3 0 0 0 5.2037 5.2377 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -4.9506 0.8952 0.0000 C 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 4 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 1 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 21 1 0 14 13 1 4 13 21 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 18 20 1 0 M END > ZINC03815121 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -1.2907 -2.9981 0.0000 N 0 3 -2.3272 -3.6028 0.0000 O 0 0 -0.2489 -3.5938 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 19 1 21 -1 M END > ZINC03815335 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815266 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 0.0000 -0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 3 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 21 1 0 5 4 1 6 5 19 1 0 5 6 1 0 6 7 1 1 6 8 1 0 7 21 1 0 8 9 2 0 8 17 1 0 10 9 1 6 10 15 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 4 17 18 1 0 17 20 1 0 18 19 2 0 M END > ZINC03815125 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815328 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815136 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9072 -2.7019 0.0000 C 0 0 -4.9494 -0.9039 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815141 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 4 2 1 4 4 5 1 0 4 21 1 0 6 5 1 4 6 12 1 0 6 7 1 0 7 8 1 4 7 9 1 0 8 21 1 0 9 10 1 0 9 13 1 4 10 11 1 0 11 12 1 0 14 13 1 1 14 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 1 M END > ZINC03815033 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC00116727 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 3 -3.9072 -2.7019 0.0000 O 0 0 -4.9494 -0.9039 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 19 1 21 -1 M END > ZINC03815406 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC00020363 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC02391785 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 I 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 3 -3.9072 -2.7019 0.0000 O 0 0 -4.9494 -0.9039 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 19 1 21 -1 M END > ZINC03815357 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815080 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 6.4972 -2.9855 0.0000 N 0 3 7.5376 -3.5834 0.0000 O 0 0 6.4951 -1.7855 0.0000 O 0 5 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1