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 $$$$ SciTegic07110717232D 17 19 0 0 0 0 999 V2000 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -5.9323 -3.1786 0.0000 Br 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 15 1 0 12 13 2 0 13 14 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815185 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5845 7.2231 0.0000 Br 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00020644 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5845 7.2231 0.0000 F 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03815359 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -5.9259 5.8786 0.0000 F 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 M END > ZINC03815360 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -5.9323 -3.1786 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 3.7889 0.0269 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815361 > 1 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5845 7.2231 0.0000 Cl 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00007282 > 1 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5837 7.5239 0.0000 C 0 0 -3.5809 8.7239 0.0000 N 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 3 0 M END > ZINC03815304 > 1 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 2.0825 2.3453 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 0.0446 3.6095 0.0000 C 0 0 -2.2935 3.7700 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5845 7.2231 0.0000 Cl 0 0 3.7889 0.0269 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 2 0 9 10 1 0 11 12 1 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 M END > ZINC03815353 > 1 $$$$ SciTegic07110717232D 17 19 0 0 0 0 999 V2000 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC00118570 > 2 $$$$ SciTegic07110717232D 17 19 0 0 0 0 999 V2000 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815331 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00151213 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00151212 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 18 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815388 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 6.2356 3.1342 0.0000 C 0 0 5.1985 3.7378 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC00104621 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815229 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 5.2037 -5.2377 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 7 1 1 5 6 1 0 8 7 1 6 8 16 1 0 8 9 1 0 9 13 1 0 9 10 1 4 10 18 1 0 11 12 1 0 11 17 1 4 11 18 1 0 13 12 1 4 13 14 1 0 14 15 1 0 15 16 1 0 M END > ZINC03815317 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815247 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815375 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815227 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815274 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 I 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00151214 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 O 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC03815386 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 M END > ZINC00118581 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 I 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815055 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 I 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815319 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815146 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 3 0 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 3.8927 -1.7922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 18 1 4 5 6 1 0 5 7 1 1 8 7 1 4 8 16 1 0 8 9 1 0 9 13 1 0 9 10 1 4 10 19 1 0 11 12 1 0 11 17 1 1 11 19 1 0 13 12 1 4 13 14 1 0 14 15 1 0 15 16 1 0 M END > ZINC03815314 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 F 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815398 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 7.5376 3.5834 0.0000 C 0 0 6.4972 2.9855 0.0000 O 0 0 5.1985 3.7378 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 19 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC00104782 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815197 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815196 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -1.2928 2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815276 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815251 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815264 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815202 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815203 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815236 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815238 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 O 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 4 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815259 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815280 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 F 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815242 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1 0 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 18 1 0 9 10 1 0 10 11 1 0 10 19 1 4 11 12 1 4 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 6 14 19 1 0 16 17 1 0 17 18 1 0 M END > ZINC03813425 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815036 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 -1.2964 -1.4973 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 12 1 0 12 13 1 0 13 18 1 4 13 19 1 0 14 15 1 4 14 19 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815410 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Cl 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815046 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 19 1 0 14 13 1 6 13 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815035 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815034 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815282 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Cl 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815281 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3 0 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 6.2450 -5.8341 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 18 1 4 4 5 1 0 5 6 1 0 6 7 1 6 8 7 1 6 8 16 1 0 8 9 1 0 9 13 1 0 9 10 1 4 10 19 1 0 11 12 1 0 11 17 1 4 11 19 1 0 13 12 1 4 13 14 1 0 14 15 1 0 15 16 1 0 M END > ZINC03813430 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03813429 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815072 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815374 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9114 7.1922 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 3 0 0 0 5.2037 5.2377 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 4 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 1 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 19 1 0 14 13 1 4 13 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815124 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815338 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 1.2933 2.9981 0.0000 N 0 0 -0.0075 3.7467 0.0000 C 0 0 3 0 0 0 -1.3040 2.9922 0.0000 C 0 0 -2.6056 3.7377 0.0000 C 0 0 -2.6108 5.2377 0.0000 C 0 0 -1.3144 5.9922 0.0000 C 0 0 -0.0128 5.2467 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 19 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 4 6 8 1 0 7 19 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 6 13 12 1 4 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 M END > ZINC03815176 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 F 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815111 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -1.2928 -2.6973 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815343 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815100 > 2 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815101 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC00020362 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 12 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815232 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -4.9506 0.8952 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 20 1 0 12 13 1 0 12 18 1 4 12 20 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 M END > ZINC03815097 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9072 -2.7019 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 M END > ZINC03815163 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815162 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 12 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815029 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 20 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 4 6 8 1 0 7 20 1 0 8 9 1 0 8 12 1 4 9 10 1 0 10 11 1 0 13 12 1 1 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 1 M END > ZINC03815037 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.6486 1.3517 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815038 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815411 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815159 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 20 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 6 6 8 1 0 7 20 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 4 13 12 1 6 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 6 M END > ZINC03815042 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815286 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 4.9577 -8.0880 0.0000 C 0 0 3.9155 -7.4930 0.0000 O 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 6 3 8 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 6 10 9 1 1 10 18 1 0 10 11 1 0 11 15 1 0 11 12 1 4 12 20 1 0 13 14 1 0 13 19 1 4 13 20 1 0 15 14 1 4 15 16 1 0 16 17 1 0 17 18 1 0 M END > ZINC03815284 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815144 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815183 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 20 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 6 6 8 1 0 7 20 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 4 13 12 1 6 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 6 M END > ZINC03813424 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815137 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC02391776 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 6.2356 3.1342 0.0000 C 0 0 5.1985 3.7378 0.0000 C 0 0 2 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3 0 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -4.9506 0.8952 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 1 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 20 1 0 14 13 1 4 13 20 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 M END > ZINC03815060 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815140 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815138 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 20 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 18 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815143 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815070 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815320 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815069 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815332 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815248 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 7.5438 -5.3759 0.0000 C 0 0 6.5076 -5.9810 0.0000 O 0 0 5.2037 -5.2377 0.0000 C 0 0 3 0 0 0 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 8 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 9 1 1 7 8 1 0 10 9 1 6 10 18 1 0 10 11 1 0 11 15 1 0 11 12 1 4 12 20 1 0 13 14 1 0 13 19 1 4 13 20 1 0 15 14 1 4 15 16 1 0 16 17 1 0 17 18 1 0 M END > ZINC03815373 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 12 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815118 > 2 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 12 1 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815117 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9114 7.1922 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 3 0 0 0 5.2037 5.2377 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -4.9506 0.8952 0.0000 C 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 4 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 1 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 21 1 0 14 13 1 4 13 21 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 18 20 1 0 M END > ZINC03815121 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -1.2907 -2.9981 0.0000 N 0 3 -2.3272 -3.6028 0.0000 O 0 0 -0.2489 -3.5938 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 19 1 21 -1 M END > ZINC03815335 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815266 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 0 0 0 0.0000 -0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 3 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 3.6321 -1.3486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 21 1 0 5 4 1 6 5 19 1 0 5 6 1 0 6 7 1 1 6 8 1 0 7 21 1 0 8 9 2 0 8 17 1 0 10 9 1 6 10 15 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 4 17 18 1 0 17 20 1 0 18 19 2 0 M END > ZINC03815125 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815328 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815136 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9072 -2.7019 0.0000 C 0 0 -4.9494 -0.9039 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815141 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 4 2 1 4 4 5 1 0 4 21 1 0 6 5 1 4 6 12 1 0 6 7 1 0 7 8 1 4 7 9 1 0 8 21 1 0 9 10 1 0 9 13 1 4 10 11 1 0 11 12 1 0 14 13 1 1 14 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 1 M END > ZINC03815033 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC00116727 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 3 -3.9072 -2.7019 0.0000 O 0 0 -4.9494 -0.9039 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 19 1 21 -1 M END > ZINC03815406 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC00020363 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC02391785 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 I 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 3 -3.9072 -2.7019 0.0000 O 0 0 -4.9494 -0.9039 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 19 1 21 -1 M END > ZINC03815357 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815080 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 6.4972 -2.9855 0.0000 N 0 3 7.5376 -3.5834 0.0000 O 0 0 6.4951 -1.7855 0.0000 O 0 5 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 10 1 4 4 5 1 0 5 6 1 0 5 7 1 6 7 8 2 0 7 9 1 0 11 10 1 1 11 19 1 0 11 12 1 0 12 16 1 0 12 13 1 4 13 21 1 0 14 15 1 0 14 20 1 4 14 21 1 0 16 15 1 4 16 17 1 0 17 18 1 0 18 19 1 0 M CHG 2 7 1 9 -1 M END > ZINC03813428 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815079 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9124 7.4930 0.0000 C 0 0 1 0 0 0 4.9533 8.0901 0.0000 F 0 0 2.8751 8.0963 0.0000 F 0 0 3.9160 8.6930 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 6 18 20 1 0 18 21 1 0 M END > ZINC00118594 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -4.9494 0.9039 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 13 1 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815027 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 4 2 1 4 4 5 1 0 4 21 1 0 6 5 1 4 6 12 1 0 6 7 1 0 7 8 1 6 7 9 1 0 8 21 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 4 14 13 1 6 14 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 6 M END > ZINC03813434 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Cl 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 3 -3.9072 -2.7019 0.0000 O 0 0 -4.9494 -0.9039 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 19 1 21 -1 M END > ZINC03815393 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815187 > 2 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -6.2513 1.3425 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 13 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815190 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC00600292 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 22 1 0 14 13 1 6 13 22 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03815041 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 -3.9091 1.5019 0.0000 N 0 3 -3.9072 2.7019 0.0000 O 0 0 -4.9494 0.9039 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 20 21 2 0 20 22 1 0 M CHG 2 20 1 22 -1 M END > ZINC03815212 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 15 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815031 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 22 1 0 12 13 1 0 12 18 1 4 12 22 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03815045 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -4.9494 0.9039 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 14 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815292 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -2.8664 3.6008 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -4.9447 3.6050 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 14 1 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC00601499 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 O 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815206 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC01386818 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 6.2450 5.8341 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC00009851 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 5.1985 3.7378 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 3.9124 7.4930 0.0000 C 0 0 1 0 0 0 4.9533 8.0901 0.0000 F 0 0 2.8751 8.0963 0.0000 F 0 0 3.9160 8.6930 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 18 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 19 20 1 6 19 21 1 0 19 22 1 0 M END > ZINC03815362 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 5.1985 3.7378 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 3.9124 7.4930 0.0000 C 0 0 1 0 0 0 4.9533 8.0901 0.0000 F 0 0 2.8751 8.0963 0.0000 F 0 0 3.9160 8.6930 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 19 20 1 6 19 21 1 0 19 22 1 0 M END > ZINC03815129 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -5.2090 -0.4555 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.2513 1.3425 0.0000 O 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815235 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 I 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815075 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 3.9124 -7.4930 0.0000 C 0 0 1 0 0 0 4.9533 -8.0901 0.0000 F 0 0 2.8751 -8.0963 0.0000 F 0 0 3.9160 -8.6930 0.0000 F 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 3 2 1 1 3 4 1 0 3 18 1 0 4 5 1 0 5 6 1 0 5 7 1 4 8 7 1 1 8 16 1 0 8 9 1 0 9 13 1 0 9 10 1 4 10 22 1 0 11 12 1 0 11 17 1 4 11 22 1 0 13 12 1 4 13 14 1 0 14 15 1 0 15 16 1 0 18 19 1 1 18 20 1 0 18 21 1 0 M END > ZINC03813431 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 6.2450 5.8341 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC01386782 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 1.5685 5.8503 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 M END > ZINC03815283 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.6486 -1.3517 0.0000 N 0 0 -3.9091 1.5019 0.0000 N 0 3 -3.9072 2.7019 0.0000 O 0 0 -4.9494 0.9039 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 20 21 2 0 20 22 1 0 M CHG 2 20 1 22 -1 M END > ZINC03815250 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC00116937 > 2 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.2356 3.1342 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.6486 1.3517 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 22 1 0 13 14 2 0 13 21 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 3 0 M END > ZINC03815334 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 N 0 3 -3.9072 -2.7019 0.0000 O 0 0 -4.9494 -0.9039 0.0000 O 0 5 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 15 1 0 5 6 1 0 6 7 2 0 6 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 13 2 0 12 16 1 0 13 14 1 0 14 15 2 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M CHG 2 9 1 11 -1 M END > ZINC03815199 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 1.2933 2.9981 0.0000 N 0 0 -0.0075 3.7467 0.0000 C 0 0 3 0 0 0 -1.3040 2.9922 0.0000 C 0 0 -2.6056 3.7377 0.0000 C 0 0 -2.6108 5.2377 0.0000 C 0 0 -1.3144 5.9922 0.0000 C 0 0 2 0 0 0 -0.0128 5.2467 0.0000 C 0 0 -1.3196 7.4930 0.0000 C 0 0 1 0 0 0 -2.3605 8.0901 0.0000 F 0 0 -0.2822 8.0963 0.0000 F 0 0 -1.3232 8.6930 0.0000 F 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 3 2 1 4 3 4 1 0 3 23 1 0 5 4 1 4 5 11 1 0 5 6 1 0 6 7 1 4 6 8 1 0 7 23 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 6 13 12 1 4 13 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 16 1 1 17 18 1 0 17 19 1 0 19 20 1 1 19 21 1 0 19 22 1 0 M END > ZINC03815088 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 3.6321 -1.3486 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 12 23 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815348 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 N 0 3 -3.9072 -2.7019 0.0000 O 0 0 -4.9494 -0.9039 0.0000 O 0 5 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 15 1 0 5 6 1 0 6 7 2 0 6 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 13 2 0 12 16 1 0 13 14 1 0 14 15 2 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M CHG 2 9 1 11 -1 M END > ZINC03815258 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 -6.5141 2.6924 0.0000 O 0 5 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 22 1 0 12 13 1 0 12 18 1 4 12 22 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 23 1 0 M CHG 1 23 -1 M END > ZINC03815102 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 6 2 1 4 3 4 1 0 4 5 1 0 6 7 1 0 6 23 1 0 8 7 1 4 8 14 1 0 8 9 1 0 9 10 1 6 9 11 1 0 10 23 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 4 16 15 1 6 16 21 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 6 M END > ZINC03815043 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 6.2450 5.8341 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 20 22 1 0 M END > ZINC03815032 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 -6.5141 2.6924 0.0000 O 0 5 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 22 1 0 14 13 1 6 13 22 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 23 1 0 M CHG 1 23 -1 M END > ZINC03815050 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 0.2613 3.5999 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -3.9072 2.7019 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 10 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 10 19 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 22 1 0 14 15 2 0 14 20 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 20 21 1 0 22 23 1 0 M END > ZINC03815273 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 6 2 1 4 3 4 1 0 4 5 1 0 6 7 1 0 6 23 1 0 8 7 1 4 8 14 1 0 8 9 1 0 9 10 1 4 9 11 1 0 10 23 1 0 11 12 1 0 11 15 1 4 12 13 1 0 13 14 1 0 16 15 1 1 16 21 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 1 M END > ZINC03815119 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -7.5506 0.8910 0.0000 C 0 0 -6.5121 1.4924 0.0000 O 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2090 -0.4555 0.0000 O 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 15 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 12 16 1 0 13 14 1 0 14 15 2 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M END > ZINC03815189 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 6.2356 3.1342 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 23 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815278 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 0.2613 3.5999 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -3.9072 2.7019 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 10 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 10 19 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 22 1 0 14 15 2 0 14 20 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 20 21 1 0 22 23 1 0 M END > ZINC03815290 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 6.2450 5.8341 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 20 22 1 0 M END > ZINC00016978 > 2 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 6.5069 7.1863 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -3.9072 2.7019 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 19 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 22 1 0 14 15 2 0 14 20 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 20 21 1 0 22 23 1 0 M END > ZINC03815316 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 F 0 0 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 23 24 3 0 M END > ZINC03815384 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -8.8513 1.3383 0.0000 C 0 0 -7.8090 -0.4597 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -7.8109 0.7403 0.0000 N 0 3 1 24 1 0 2 24 1 0 3 4 1 0 3 24 1 0 4 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 15 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 12 16 1 0 13 14 1 0 14 15 2 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M CHG 1 24 1 M END > ZINC03815228 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 N 0 0 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 23 24 3 0 M END > ZINC03815397 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 2 0 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -6.5141 2.6924 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 24 1 0 12 13 1 0 12 18 1 4 12 24 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 23 1 6 21 22 1 0 M END > ZINC03815077 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 23 24 3 0 M END > ZINC03815300 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -4.9447 3.6050 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -4.9447 -3.6050 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 16 1 0 6 7 1 0 7 8 2 0 7 13 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC02572485 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 23 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 23 24 3 0 M END > ZINC03815298 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -6.5141 2.6924 0.0000 O 0 5 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 6 2 1 4 3 4 1 0 4 5 2 0 4 23 1 0 6 7 1 0 6 24 1 0 8 7 1 4 8 14 1 0 8 9 1 0 9 10 1 6 9 11 1 0 10 24 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 4 16 15 1 6 16 21 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 6 M CHG 1 23 -1 M END > ZINC03815059 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -6.5141 2.6924 0.0000 O 0 5 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 6 2 1 4 3 4 1 0 4 5 2 0 4 23 1 0 6 7 1 0 6 24 1 0 8 7 1 4 8 14 1 0 8 9 1 0 9 10 1 4 9 11 1 0 10 24 1 0 11 12 1 0 11 15 1 4 12 13 1 0 13 14 1 0 16 15 1 1 16 21 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 1 M CHG 1 23 -1 M END > ZINC03815201 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 -1.2907 -2.9981 0.0000 O 0 0 -2.3272 -3.6028 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 16 1 0 5 6 1 0 6 7 2 0 6 13 1 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 2 0 13 17 1 0 14 15 1 0 15 16 2 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC03815066 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 2 0 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -6.5141 2.6924 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 24 1 0 14 13 1 6 13 24 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 23 1 6 21 22 1 0 M END > ZINC04617768 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 1 0 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -5.2116 -0.7564 0.0000 C 0 0 -6.2507 -1.3566 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 24 1 0 12 13 1 0 12 18 1 4 12 24 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 19 18 1 6 19 20 1 0 19 22 1 0 20 21 1 0 22 23 1 0 M END > ZINC03815198 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 1 0 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -6.5141 2.6924 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 24 1 0 12 13 1 0 12 18 1 4 12 24 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 23 1 1 21 22 1 0 M END > ZINC04617774 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 -7.8090 -0.4597 0.0000 O 0 5 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 23 1 0 12 13 1 0 12 18 1 4 12 23 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 24 1 0 M CHG 1 24 -1 M END > ZINC03815064 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -8.8513 1.3383 0.0000 C 0 0 -7.8090 -0.4597 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -7.8109 0.7403 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 23 1 0 2 23 1 0 3 4 1 0 3 23 1 0 4 5 1 0 6 5 1 4 6 7 1 0 6 24 1 0 8 7 1 4 8 14 1 0 8 9 1 0 9 10 1 6 9 11 1 0 10 24 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 4 16 15 1 6 16 21 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 6 M CHG 1 23 1 M END > ZINC03815087 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 1 0 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -6.5141 2.6924 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 24 1 0 14 13 1 6 13 24 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 23 1 1 21 22 1 0 M END > ZINC03815040 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 -7.8090 -0.4597 0.0000 O 0 5 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 23 1 0 14 13 1 6 13 23 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 24 1 0 M CHG 1 24 -1 M END > ZINC03815049 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -8.8513 1.3383 0.0000 C 0 0 -7.8090 -0.4597 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -7.8109 0.7403 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 23 1 0 2 23 1 0 3 4 1 0 3 23 1 0 4 5 1 0 6 5 1 4 6 7 1 0 6 24 1 0 8 7 1 4 8 14 1 0 8 9 1 0 9 10 1 4 9 11 1 0 10 24 1 0 11 12 1 0 11 15 1 4 12 13 1 0 13 14 1 0 16 15 1 1 16 21 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 1 M CHG 1 23 1 M END > ZINC03815243 > 2 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -4.9447 3.6050 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -4.9447 -3.6050 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 13 2 0 4 5 1 0 5 6 2 0 6 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 17 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC03815026 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -9.1121 1.4882 0.0000 C 0 0 -10.1506 0.8868 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 -9.1141 2.6882 0.0000 O 0 5 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 24 1 0 12 13 1 0 12 18 1 4 12 24 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 25 1 0 M CHG 1 25 -1 M END > ZINC03815051 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9124 7.4930 0.0000 C 0 0 1 0 0 0 4.9533 8.0901 0.0000 F 0 0 2.8751 8.0963 0.0000 F 0 0 3.9160 8.6930 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 6 22 24 1 0 22 25 1 0 M END > ZINC03815044 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 2.8713 8.0952 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 6.5069 7.1863 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 6.4882 1.7802 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 24 1 0 17 18 2 0 17 22 1 0 18 19 1 0 18 20 1 0 20 21 1 0 22 23 1 0 24 25 1 0 M END > ZINC03815272 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -8.8513 1.3383 0.0000 C 0 0 -7.8090 -0.4597 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -7.8109 0.7403 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 24 1 0 2 24 1 0 3 4 1 0 3 24 1 0 4 5 1 0 5 6 1 0 7 5 1 4 7 8 1 0 7 25 1 0 9 8 1 4 9 15 1 0 9 10 1 0 10 11 1 6 10 12 1 0 11 25 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 4 17 16 1 6 17 22 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 6 M CHG 1 24 1 M END > ZINC03815172 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.5506 0.8910 0.0000 O 0 0 -3.9177 2.9974 0.0000 C 0 0 -5.2197 3.7439 0.0000 C 0 0 -5.2241 4.9438 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 25 1 0 12 13 1 0 12 18 1 4 12 25 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 18 22 1 0 19 20 1 0 20 21 1 0 22 23 1 0 23 24 1 0 M END > ZINC03815191 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 2 0 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -6.5141 2.6924 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 8 2 1 4 3 4 1 0 4 5 1 0 4 7 1 6 5 6 1 0 8 9 1 0 8 25 1 0 10 9 1 4 10 16 1 0 10 11 1 0 11 12 1 1 11 13 1 0 12 25 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 4 18 17 1 6 18 23 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 6 M END > ZINC03815063 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9093 7.4931 0.0000 S 0 0 2.8713 8.0952 0.0000 C 0 0 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 24 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 24 25 3 0 M END > ZINC03815387 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -2.8664 3.6008 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -4.9447 3.6050 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 N 0 3 -3.9072 -2.7019 0.0000 O 0 0 -4.9494 -0.9039 0.0000 O 0 5 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 17 1 0 7 8 1 0 8 9 2 0 8 14 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 14 15 2 0 14 18 1 0 15 16 1 0 16 17 2 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M CHG 2 11 1 13 -1 M END > ZINC03815218 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -10.1506 0.8868 0.0000 C 0 0 -9.1141 2.6882 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -9.1121 1.4882 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 24 1 0 2 24 1 0 3 4 1 0 3 24 1 0 4 5 1 0 5 6 1 0 7 6 1 4 7 8 1 0 7 25 1 0 9 8 1 4 9 15 1 0 9 10 1 0 10 11 1 6 10 12 1 0 11 25 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 4 17 16 1 6 17 22 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 6 M CHG 1 24 1 M END > ZINC03815090 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 1 0 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -6.5141 2.6924 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 8 2 1 1 3 4 1 0 4 5 1 0 4 7 1 1 5 6 1 0 8 9 1 0 8 25 1 0 10 9 1 4 10 16 1 0 10 11 1 0 11 12 1 4 11 13 1 0 12 25 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 4 18 17 1 6 18 23 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 6 M END > ZINC04617771 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 6.5069 7.1863 0.0000 C 0 0 6.5045 5.9863 0.0000 O 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 6.4882 1.7802 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -3.9072 2.7019 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 12 21 2 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 24 1 0 16 17 2 0 16 22 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 0 24 25 1 0 M END > ZINC03815333 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -8.8513 1.3383 0.0000 C 0 0 -7.8090 -0.4597 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -3.9141 2.6966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -7.8109 0.7403 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 24 1 0 2 24 1 0 3 4 1 0 3 24 1 0 4 5 1 0 5 6 1 0 7 5 1 4 7 8 1 0 7 25 1 0 9 8 1 4 9 15 1 0 9 10 1 0 10 11 1 4 10 12 1 0 11 25 1 0 12 13 1 0 12 16 1 4 13 14 1 0 14 15 1 0 17 16 1 1 17 22 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 1 M CHG 1 24 1 M END > ZINC03815237 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 1 0 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -6.5141 2.6924 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 8 2 1 4 3 4 1 0 4 5 1 0 4 7 1 1 5 6 1 0 8 9 1 0 8 25 1 0 10 9 1 4 10 16 1 0 10 11 1 0 11 12 1 4 11 13 1 0 12 25 1 0 13 14 1 0 13 17 1 4 14 15 1 0 15 16 1 0 18 17 1 1 18 23 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 1 M END > ZINC04617779 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -10.1506 0.8868 0.0000 C 0 0 -9.1141 2.6882 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -9.1121 1.4882 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 24 1 0 2 24 1 0 3 4 1 0 3 24 1 0 4 5 1 0 5 6 1 0 7 6 1 4 7 8 1 0 7 25 1 0 9 8 1 4 9 15 1 0 9 10 1 0 10 11 1 4 10 12 1 0 11 25 1 0 12 13 1 0 12 16 1 4 13 14 1 0 14 15 1 0 17 16 1 1 17 22 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 1 M CHG 1 24 1 M END > ZINC03815175 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 S 0 0 1 0 0 0 -8.8513 1.3383 0.0000 O 0 0 -7.8090 -0.4597 0.0000 O 0 0 -2.6111 -0.7486 0.0000 N 0 0 -8.8491 0.1384 0.0000 O 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 24 1 0 12 13 1 0 12 18 1 4 12 24 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 2 0 21 25 1 1 M END > ZINC03815096 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Cl 0 0 6.2450 5.8341 0.0000 F 0 0 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 24 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 23 1 0 20 21 1 0 20 22 1 0 24 25 3 0 M END > ZINC03815358 > 2 $$$$ SciTegic07110717232D 25 27 0 0 0 0 999 V2000 -3.9141 2.6966 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 2 0 0 0 -7.8109 0.7403 0.0000 C 0 0 -8.8513 1.3383 0.0000 O 0 0 -6.5141 2.6924 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 2 1 0 2 3 1 0 8 2 1 4 3 4 1 0 4 5 1 0 4 7 1 6 5 6 1 0 8 9 1 0 8 25 1 0 10 9 1 4 10 16 1 0 10 11 1 0 11 12 1 4 11 13 1 0 12 25 1 0 13 14 1 0 13 17 1 4 14 15 1 0 15 16 1 0 18 17 1 1 18 23 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 1 M END > ZINC03815126 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 3.9093 7.4931 0.0000 N 0 3 2.8713 8.0952 0.0000 O 0 0 4.9496 8.0913 0.0000 O 0 5 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 25 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 22 24 1 0 25 26 3 0 M CHG 2 22 1 24 -1 M END > ZINC03815404 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 7.5376 3.5834 0.0000 C 0 0 6.4972 2.9855 0.0000 N 0 0 6.4951 1.7855 0.0000 C 0 0 5.1985 3.7378 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.8926 1.4991 0.0000 C 0 0 4.9319 2.0991 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -3.9072 2.7019 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 20 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 25 1 0 15 16 2 0 15 23 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 3 0 23 24 1 0 25 26 1 0 M END > ZINC03815401 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -11.4513 1.3341 0.0000 C 0 0 -10.4090 -0.4639 0.0000 C 0 0 -9.1121 1.4882 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -10.4109 0.7361 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 25 1 0 2 25 1 0 3 4 1 0 3 25 1 0 4 5 1 0 5 6 1 0 6 7 1 0 8 7 1 4 8 9 1 0 8 26 1 0 10 9 1 4 10 16 1 0 10 11 1 0 11 12 1 6 11 13 1 0 12 26 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 4 18 17 1 6 18 23 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 6 M CHG 1 25 1 M END > ZINC03815108 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -9.1121 1.4882 0.0000 C 0 0 -11.4513 1.3341 0.0000 C 0 0 -10.4090 -0.4639 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -10.4109 0.7361 0.0000 N 0 3 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 25 1 0 12 13 1 0 12 18 1 4 12 25 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 26 1 0 23 26 1 0 24 26 1 0 M CHG 1 26 1 M END > ZINC03815154 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -7.8090 -0.4597 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -9.1121 1.4882 0.0000 C 0 0 -10.4109 0.7361 0.0000 C 0 0 -11.4513 1.3341 0.0000 O 0 0 -7.8109 0.7403 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 25 1 0 2 3 1 0 2 25 1 0 3 4 1 0 5 4 1 4 5 6 1 0 5 26 1 0 7 6 1 4 7 13 1 0 7 8 1 0 8 9 1 6 8 10 1 0 9 26 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 4 15 14 1 6 15 20 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 6 22 23 1 0 22 25 1 0 23 24 1 0 M CHG 1 25 1 M END > ZINC04617776 > 2 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -11.4513 1.3341 0.0000 C 0 0 -10.4090 -0.4639 0.0000 C 0 0 -9.1121 1.4882 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -10.4109 0.7361 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 25 1 0 2 25 1 0 3 4 1 0 3 25 1 0 4 5 1 0 5 6 1 0 6 7 1 0 8 7 1 4 8 9 1 0 8 26 1 0 10 9 1 4 10 16 1 0 10 11 1 0 11 12 1 4 11 13 1 0 12 26 1 0 13 14 1 0 13 17 1 4 14 15 1 0 15 16 1 0 18 17 1 1 18 23 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 1 M CHG 1 25 1 M END > ZINC03815165 > 2 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 2.8713 8.0952 0.0000 C 0 0 3.9093 7.4931 0.0000 O 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 6.5076 5.9810 0.0000 O 0 0 7.5438 5.3759 0.0000 C 0 0 6.4941 2.9802 0.0000 O 0 0 6.4882 1.7802 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -3.9072 2.7019 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 2 0 7 8 1 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 1 0 13 14 1 0 14 23 2 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 26 1 0 18 19 2 0 18 24 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 24 25 1 0 26 27 1 0 M END > ZINC03815352 > 2 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -12.7505 0.8826 0.0000 C 0 0 -11.7140 2.6840 0.0000 C 0 0 -10.4109 0.7361 0.0000 C 0 0 -9.1121 1.4882 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 -11.7121 1.4840 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 26 1 0 2 26 1 0 3 4 1 0 3 26 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 9 8 1 4 9 10 1 0 9 27 1 0 11 10 1 4 11 17 1 0 11 12 1 0 12 13 1 4 12 14 1 0 13 27 1 0 14 15 1 0 14 18 1 4 15 16 1 0 16 17 1 0 19 18 1 1 19 24 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 1 M CHG 1 26 1 M END > ZINC03815173 > 2 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 2.6035 -8.2476 0.0000 C 0 0 3.9025 -7.4976 0.0000 C 0 0 3.9025 -5.9976 0.0000 C 0 0 2.6034 -5.2475 0.0000 C 0 0 1.3044 -5.9976 0.0000 C 0 0 1.3044 -7.4976 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815367 > 3 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 2.6035 8.2476 0.0000 C 0 0 3.9025 7.4976 0.0000 C 0 0 3.9025 5.9976 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 1.3044 5.9976 0.0000 C 0 0 1.3044 7.4976 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC00109589 > 3 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 2.6035 -8.2476 0.0000 C 0 0 1.3044 -7.4976 0.0000 C 0 0 1.3044 -5.9976 0.0000 C 0 0 2.6034 -5.2475 0.0000 C 0 0 1 0 0 0 3.9025 -5.9976 0.0000 C 0 0 3.9025 -7.4976 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 7 1 6 5 6 1 0 7 8 1 0 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 19 1 0 12 13 1 0 12 18 1 4 12 19 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815364 > 3 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2.6034 -5.2475 0.0000 C 0 0 1.3044 -5.9976 0.0000 C 0 0 1.3044 -7.4976 0.0000 C 0 0 2.6035 -8.2476 0.0000 C 0 0 3.9025 -7.4976 0.0000 C 0 0 3.9025 -5.9976 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815303 > 3 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 3.9025 -7.4976 0.0000 C 0 0 2.6035 -8.2476 0.0000 C 0 0 1.3044 -7.4976 0.0000 C 0 0 1.3044 -5.9976 0.0000 C 0 0 3 0 0 0 2.6034 -5.2475 0.0000 C 0 0 1 0 0 0 3.9025 -5.9976 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.6486 1.3517 0.0000 N 0 0 0.2651 -5.3977 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 19 1 4 5 6 1 0 5 7 1 6 7 8 1 0 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 20 1 0 12 13 1 0 12 18 1 4 12 20 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815312 > 3 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -4.9506 0.8952 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 1.3044 5.9976 0.0000 C 0 0 1.3044 7.4976 0.0000 C 0 0 2.6035 8.2476 0.0000 C 0 0 3.9025 7.4976 0.0000 C 0 0 3.9025 5.9976 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 11 12 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815256 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 1.3044 5.9976 0.0000 C 0 0 1.3044 7.4976 0.0000 C 0 0 2.6035 8.2476 0.0000 C 0 0 3.9025 7.4976 0.0000 C 0 0 3.9025 5.9976 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815253 > 3 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2.6034 -5.2475 0.0000 C 0 0 1.3044 -5.9976 0.0000 C 0 0 1.3044 -7.4976 0.0000 C 0 0 2.6035 -8.2476 0.0000 C 0 0 3.9025 -7.4976 0.0000 C 0 0 3.9025 -5.9976 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815365 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 1.3044 5.9976 0.0000 C 0 0 1.3044 7.4976 0.0000 C 0 0 2.6035 8.2476 0.0000 C 0 0 3.9025 7.4976 0.0000 C 0 0 3.9025 5.9976 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC01386812 > 3 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -2.8664 3.6008 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -4.9447 3.6050 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2.6034 -5.2475 0.0000 C 0 0 1.3044 -5.9976 0.0000 C 0 0 1.3044 -7.4976 0.0000 C 0 0 2.6035 -8.2476 0.0000 C 0 0 3.9025 -7.4976 0.0000 C 0 0 3.9025 -5.9976 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 14 1 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC00020368 > 3 $$$$ SciTegic07110717232D 23 25 0 0 0 0 999 V2000 0.2652 8.0977 0.0000 C 0 0 1.3044 7.4977 0.0000 C 0 0 2.6035 8.2476 0.0000 C 0 0 3.9025 7.4976 0.0000 C 0 0 3.9025 5.9976 0.0000 C 0 0 2.6034 5.2475 0.0000 C 0 0 1.3044 5.9976 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -3.9072 2.7019 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 19 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 22 1 0 14 15 2 0 14 20 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 20 21 1 0 22 23 1 0 M END > ZINC03815297 > 3 $$$$ SciTegic07110717232D 24 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 N 0 0 2.6034 5.2475 0.0000 C 0 0 1.3044 5.9976 0.0000 C 0 0 1.3044 7.4976 0.0000 C 0 0 2.6035 8.2476 0.0000 C 0 0 3.9025 7.4976 0.0000 C 0 0 3.9025 5.9976 0.0000 C 0 0 4.9417 8.0976 0.0000 Cl 0 0 2.6035 9.4476 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 24 1 0 21 22 1 0 21 23 1 0 M END > ZINC03815342 > 3 $$$$ SciTegic07110717232D 18 19 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.6004 2.9949 0.0000 C 0 0 3.9020 3.7405 0.0000 C 0 0 3.9072 5.2405 0.0000 N 0 0 2.6108 5.9949 0.0000 C 0 0 1.3092 5.2494 0.0000 N 0 0 5.2008 2.9882 0.0000 N 0 0 6.5020 3.7360 0.0000 C 0 0 7.8007 2.9838 0.0000 C 0 0 8.8412 3.5817 0.0000 O 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 15 1 0 12 13 2 0 13 14 1 0 15 16 1 0 16 17 1 0 17 18 1 0 M END > ZINC03815083 > 4 $$$$ SciTegic07110717232D 18 20 0 0 0 0 999 V2000 5.5886 4.6654 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 6.9164 1.2263 0.0000 Cl 0 0 2.1812 2.6271 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 18 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815293 > 5 $$$$ SciTegic07110717232D 19 21 0 0 0 0 999 V2000 5.5886 4.6654 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 6.9164 1.2263 0.0000 Cl 0 0 2.1812 2.6271 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -3.3560 -1.3452 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 M END > ZINC03815310 > 5 $$$$ SciTegic07110717232D 20 23 0 0 0 0 999 V2000 -6.4680 5.2061 0.0000 C 0 0 -5.1858 5.9847 0.0000 C 0 0 -3.8705 5.2637 0.0000 C 0 0 -3.8372 3.7640 0.0000 C 0 0 -5.1194 2.9855 0.0000 C 0 0 -6.4347 3.7065 0.0000 C 0 0 -2.5225 3.0401 0.0000 N 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 16 2 0 8 9 1 0 9 13 2 0 9 10 1 0 10 20 1 0 10 11 2 0 11 12 1 0 11 17 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 1 0 18 19 1 0 19 20 1 0 M END > ZINC03815326 > 6 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -5.1858 5.9847 0.0000 C 0 0 -3.8705 5.2637 0.0000 C 0 0 -3.8372 3.7640 0.0000 C 0 0 -5.1194 2.9855 0.0000 C 0 0 -6.4347 3.7065 0.0000 C 0 0 -6.4680 5.2061 0.0000 C 0 0 -7.4604 3.0836 0.0000 O 0 0 -2.5225 3.0401 0.0000 N 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 21 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03815341 > 6 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -7.4604 3.0837 0.0000 C 0 0 -6.4348 3.7065 0.0000 C 0 0 -6.4680 5.2061 0.0000 C 0 0 -5.1858 5.9847 0.0000 C 0 0 -3.8705 5.2637 0.0000 C 0 0 -3.8372 3.7640 0.0000 C 0 0 -5.1194 2.9855 0.0000 C 0 0 -2.5225 3.0401 0.0000 N 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 21 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03815394 > 6 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -7.5202 5.7830 0.0000 C 0 0 -6.4680 5.2061 0.0000 C 0 0 -5.1858 5.9847 0.0000 C 0 0 -3.8705 5.2637 0.0000 C 0 0 -3.8372 3.7640 0.0000 C 0 0 -5.1194 2.9855 0.0000 C 0 0 -6.4347 3.7065 0.0000 C 0 0 -2.5225 3.0401 0.0000 N 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 21 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03815277 > 6 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 2.4732 -1.3190 0.0000 N 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 N 0 0 2.4732 1.5389 0.0000 C 0 0 2.4670 3.0404 0.0000 N 0 0 3.7631 3.7970 0.0000 C 0 0 5.0643 3.0506 0.0000 C 0 0 6.3613 3.8041 0.0000 C 0 0 6.3572 5.3041 0.0000 C 0 0 5.0561 6.0506 0.0000 C 0 0 3.7591 5.2970 0.0000 C 0 0 5.0528 7.2506 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 13 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03815156 > 6 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -5.1858 5.9847 0.0000 C 0 0 -3.8705 5.2637 0.0000 C 0 0 -3.8372 3.7640 0.0000 C 0 0 -5.1194 2.9855 0.0000 C 0 0 -6.4347 3.7065 0.0000 C 0 0 -6.4680 5.2061 0.0000 C 0 0 -7.4604 3.0836 0.0000 Br 0 0 -2.5225 3.0401 0.0000 N 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 21 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03815244 > 6 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -5.1858 5.9847 0.0000 C 0 0 -3.8705 5.2637 0.0000 C 0 0 -3.8372 3.7640 0.0000 C 0 0 -5.1194 2.9855 0.0000 C 0 0 -6.4347 3.7065 0.0000 C 0 0 -6.4680 5.2061 0.0000 C 0 0 -7.4604 3.0836 0.0000 Cl 0 0 -2.5225 3.0401 0.0000 N 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 17 2 0 9 10 1 0 10 14 2 0 10 11 1 0 11 21 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC00020645 > 6 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 -8.7706 3.5085 0.0000 C 0 0 -7.7192 2.9301 0.0000 O 0 0 -6.4348 3.7065 0.0000 C 0 0 -6.4680 5.2061 0.0000 C 0 0 -5.1858 5.9847 0.0000 C 0 0 -3.8705 5.2637 0.0000 C 0 0 -3.8372 3.7640 0.0000 C 0 0 -5.1194 2.9855 0.0000 C 0 0 -2.5225 3.0401 0.0000 N 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 18 2 0 10 11 1 0 11 15 2 0 11 12 1 0 12 22 1 0 12 13 2 0 13 14 1 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 20 21 1 0 21 22 1 0 M END > ZINC03815402 > 6 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -6.4348 3.7065 0.0000 C 0 0 -6.4680 5.2061 0.0000 C 0 0 -5.1858 5.9847 0.0000 C 0 0 -3.8705 5.2637 0.0000 C 0 0 -3.8372 3.7640 0.0000 C 0 0 -5.1194 2.9855 0.0000 C 0 0 -2.5225 3.0401 0.0000 N 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 3.7372 -0.6045 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 -5.2191 7.4852 0.0000 C 0 0 1 0 0 0 -6.2710 8.0627 0.0000 F 0 0 -4.1932 8.1077 0.0000 F 0 0 -5.2451 8.6849 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 16 2 0 8 9 1 0 9 13 2 0 9 10 1 0 10 20 1 0 10 11 2 0 11 12 1 0 11 17 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 1 0 18 19 1 0 19 20 1 0 21 22 1 1 21 23 1 0 21 24 1 0 M END > ZINC03815336 > 6 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -5.1845 4.9616 0.0000 Cl 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2964 2.6973 0.0000 O 0 0 3.6321 -1.3486 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 17 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 20 1 0 14 15 2 0 15 16 1 0 15 19 1 0 16 17 1 0 17 18 2 0 M END > ZINC00023489 > 7 $$$$ SciTegic07110717232D 20 22 0 0 0 0 999 V2000 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -5.1845 4.9616 0.0000 Cl 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2964 2.6973 0.0000 O 0 0 3.6321 -1.3486 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 17 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 20 1 0 14 15 2 0 15 16 1 0 15 19 1 0 16 17 1 0 17 18 2 0 M END > ZINC00007342 > 7 $$$$ SciTegic07110717232D 21 23 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 2.6973 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 7.5309 0.9045 0.0000 Cl 0 0 -3.6486 -1.3517 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 21 1 0 6 7 2 0 7 13 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 11 14 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC03815231 > 7 $$$$ SciTegic07110717232D 22 24 0 0 0 0 999 V2000 -1.2928 2.6973 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 O 0 0 2.3396 -3.5967 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2101 -4.9519 0.0000 Cl 0 0 1 2 1 0 2 8 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 16 1 0 5 6 2 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 15 1 0 11 12 1 0 12 13 1 0 13 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815295 > 7 $$$$ SciTegic07110717232D 26 28 0 0 0 0 999 V2000 -2.3272 3.6028 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 2.6973 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.6385 -3.1449 0.0000 O 0 0 2.6034 -5.2475 0.0000 O 0 0 3.6435 -5.8460 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 7.5309 0.9045 0.0000 Cl 0 0 -3.6486 -1.3517 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 26 1 0 6 7 2 0 7 13 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M END > ZINC03815257 > 7 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -6.2404 5.8591 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 2 0 0 0 -4.1622 5.8549 0.0000 C 0 0 -6.2429 4.6588 0.0000 C 0 0 -5.2049 3.7560 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -2.8664 3.6008 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.6321 1.3486 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -2.8709 -3.6035 0.0000 Cl 0 0 -5.2063 0.4481 0.0000 Cl 0 0 2 1 1 1 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 11 2 0 10 20 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 1 0 20 25 2 0 20 21 1 0 21 22 2 0 21 27 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 M END > ZINC03815345 > 7 $$$$ SciTegic07110717232D 27 29 0 0 0 0 999 V2000 -2.8709 3.6035 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -2.8664 -3.6008 0.0000 O 0 0 -5.2049 -3.7560 0.0000 N 0 0 -5.2025 -5.2568 0.0000 C 0 0 1 0 0 0 -6.2404 -5.8591 0.0000 C 0 0 -5.2001 -6.4568 0.0000 C 0 0 -4.1622 -5.8549 0.0000 C 0 0 3.6321 -1.3486 0.0000 N 0 0 -5.2063 -0.4481 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 27 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 10 2 0 10 15 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 26 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03815368 > 7 $$$$ SciTegic07110717232D 20 23 0 0 0 0 999 V2000 -7.0512 -4.7967 0.0000 C 0 0 -5.5802 -4.5033 0.0000 C 0 0 -5.0987 -3.0827 0.0000 C 0 0 -6.0884 -1.9554 0.0000 C 0 0 -7.5595 -2.2488 0.0000 C 0 0 -8.0409 -3.6695 0.0000 C 0 0 -8.3512 -1.3471 0.0000 Br 0 0 -3.6277 -2.7854 0.0000 N 0 0 -3.1485 -1.3659 0.0000 C 0 0 -1.6669 -1.0186 0.0000 C 0 0 -1.2039 0.3704 0.0000 C 0 0 0.3010 0.3704 0.0000 C 0 0 0.7408 -1.0186 0.0000 C 0 0 -0.4399 -1.9215 0.0000 S 0 0 2.2688 -1.0186 0.0000 N 0 0 2.7318 0.3704 0.0000 C 0 0 1.5048 1.2733 0.0000 S 0 0 -2.2225 1.5280 0.0000 N 0 0 -3.6810 1.1807 0.0000 C 0 0 -4.1672 0.0000 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 20 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 18 1 0 12 17 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815234 > 8 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.0045 -1.1298 0.0000 O 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 1.2999 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 21 1 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 20 21 1 0 M END > ZINC03815200 > 9 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 2 0 10 11 1 0 11 12 2 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC00006271 > 9 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 21 1 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 20 21 2 0 M END > ZINC04617767 > 9 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 21 1 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815028 > 9 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 2 0 10 11 1 0 11 12 2 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815058 > 9 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 1.2999 0.0000 S 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 21 1 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815241 > 9 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 21 1 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815054 > 9 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 -2.3778 2.4403 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 3.3133 3.0922 0.0000 N 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 5.9416 7.2760 0.0000 Br 0 0 1 2 1 0 2 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815030 > 9 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 -2.3778 2.4403 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 N 0 0 3.3133 -2.9221 0.0000 N 0 0 4.6171 -3.6655 0.0000 C 0 0 5.9107 -2.9060 0.0000 C 0 0 7.2152 -3.6464 0.0000 C 0 0 7.2263 -5.1464 0.0000 C 0 0 5.9328 -5.9059 0.0000 C 0 0 4.6282 -5.1655 0.0000 C 0 0 5.9416 -7.1059 0.0000 Br 0 0 1 2 1 0 2 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC02391775 > 9 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 -4.0792 0.0850 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 3.3133 3.0922 0.0000 N 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 5.9416 7.2760 0.0000 Br 0 0 1 2 1 0 2 10 2 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 14 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815052 > 9 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 -2.3778 2.4403 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 N 0 0 3.3133 -2.9221 0.0000 N 0 0 4.6171 -3.6655 0.0000 C 0 0 5.9107 -2.9060 0.0000 C 0 0 7.2152 -3.6464 0.0000 C 0 0 7.2263 -5.1464 0.0000 C 0 0 5.9328 -5.9059 0.0000 C 0 0 4.6282 -5.1655 0.0000 C 0 0 5.9416 -7.1059 0.0000 Br 0 0 1 2 1 0 2 10 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 2 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815057 > 9 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 -2.3778 2.4403 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 N 0 0 3.3133 -2.9221 0.0000 N 0 0 4.6171 -3.6655 0.0000 C 0 0 5.9107 -2.9060 0.0000 C 0 0 7.2152 -3.6464 0.0000 C 0 0 7.2263 -5.1464 0.0000 C 0 0 5.9328 -5.9059 0.0000 C 0 0 4.6282 -5.1655 0.0000 C 0 0 5.9416 -7.1059 0.0000 Br 0 0 1 2 1 0 2 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815073 > 9 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.4731 -2.5529 0.0000 C 0 0 -3.9422 -2.8601 0.0000 C 0 0 -4.3175 -3.9999 0.0000 O 0 0 -4.7419 -1.9654 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 2 0 10 11 1 0 11 12 2 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03815249 > 9 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.4731 -2.5529 0.0000 C 0 0 -3.9422 -2.8601 0.0000 C 0 0 -4.3175 -3.9999 0.0000 O 0 0 -4.7419 -1.9654 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 2 0 10 11 1 0 11 12 2 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03815152 > 9 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -4.3175 4.1700 0.0000 C 0 0 -4.7419 2.1355 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 3.3133 3.0922 0.0000 N 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 5.9416 7.2760 0.0000 Br 0 0 -3.9422 3.0302 0.0000 N 0 3 1 25 1 0 2 25 1 0 3 4 1 0 3 25 1 0 4 8 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 16 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M CHG 1 25 1 M END > ZINC03815116 > 9 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.4731 -2.5529 0.0000 C 0 0 1 0 0 0 -3.9422 -2.8601 0.0000 C 0 0 -4.4115 -4.2856 0.0000 C 0 0 -5.5861 -4.5313 0.0000 O 0 0 -1.6734 -3.4476 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 2 0 10 11 1 0 11 12 2 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 0 22 26 1 6 23 24 1 0 24 25 1 0 M END > ZINC04617775 > 9 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -5.5861 4.7013 0.0000 C 0 0 -3.6118 5.3504 0.0000 C 0 0 -3.9422 3.0302 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 N 0 0 3.3133 -2.9221 0.0000 N 0 0 4.6171 -3.6655 0.0000 C 0 0 5.9107 -2.9060 0.0000 C 0 0 7.2152 -3.6464 0.0000 C 0 0 7.2263 -5.1464 0.0000 C 0 0 5.9328 -5.9059 0.0000 C 0 0 4.6282 -5.1655 0.0000 C 0 0 5.9416 -7.1059 0.0000 Br 0 0 -4.4115 4.4557 0.0000 N 0 3 1 26 1 0 2 26 1 0 3 4 1 0 3 26 1 0 4 5 1 0 5 13 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 17 1 0 8 9 1 0 9 10 2 0 9 14 1 0 10 11 1 0 11 12 1 0 12 13 2 0 14 15 2 0 14 18 1 0 15 16 1 0 16 17 2 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M CHG 1 26 1 M END > ZINC03815233 > 9 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.4731 -2.5529 0.0000 C 0 0 1 0 0 0 -3.9422 -2.8601 0.0000 C 0 0 -4.4115 -4.2856 0.0000 C 0 0 -5.5861 -4.5313 0.0000 O 0 0 -1.6734 -3.4476 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 2 0 10 11 1 0 11 12 2 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 0 22 26 1 6 23 24 1 0 24 25 1 0 M END > ZINC04617795 > 9 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -5.5861 4.7013 0.0000 C 0 0 -3.6118 5.3504 0.0000 C 0 0 -3.9422 3.0302 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 N 0 0 3.3133 -2.9221 0.0000 N 0 0 4.6171 -3.6655 0.0000 C 0 0 5.9107 -2.9060 0.0000 C 0 0 7.2152 -3.6464 0.0000 C 0 0 7.2263 -5.1464 0.0000 C 0 0 5.9328 -5.9059 0.0000 C 0 0 4.6282 -5.1655 0.0000 C 0 0 5.9416 -7.1059 0.0000 Br 0 0 -4.4115 4.4557 0.0000 N 0 3 1 26 1 0 2 26 1 0 3 4 1 0 3 26 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 17 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 14 18 1 0 15 16 1 0 16 17 2 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M CHG 1 26 1 M END > ZINC03815239 > 9 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.4731 -2.5529 0.0000 C 0 0 2 0 0 0 -3.9422 -2.8601 0.0000 C 0 0 -4.4115 -4.2856 0.0000 C 0 0 -5.5861 -4.5313 0.0000 O 0 0 -1.6734 -3.4476 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 2 0 10 11 1 0 11 12 2 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 0 22 26 1 1 23 24 1 0 24 25 1 0 M END > ZINC03815188 > 9 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -5.5861 4.7013 0.0000 C 0 0 -3.6118 5.3504 0.0000 C 0 0 -3.9422 3.0302 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 3.3133 3.0922 0.0000 N 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 5.9416 7.2760 0.0000 Br 0 0 -4.4115 4.4557 0.0000 N 0 3 1 26 1 0 2 26 1 0 3 4 1 0 3 26 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 17 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M CHG 1 26 1 M END > ZINC03815095 > 9 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.4731 -2.5529 0.0000 C 0 0 2 0 0 0 -3.9422 -2.8601 0.0000 C 0 0 -4.4115 -4.2856 0.0000 C 0 0 -5.5861 -4.5313 0.0000 O 0 0 -1.6734 -3.4476 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 2 0 10 11 1 0 11 12 2 0 12 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 0 22 26 1 1 23 24 1 0 24 25 1 0 M END > ZINC03815103 > 9 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -5.5861 4.7013 0.0000 C 0 0 -3.6118 5.3504 0.0000 C 0 0 -3.9422 3.0302 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 N 0 0 3.3133 -2.9221 0.0000 N 0 0 4.6171 -3.6655 0.0000 C 0 0 5.9107 -2.9060 0.0000 C 0 0 7.2152 -3.6464 0.0000 C 0 0 7.2263 -5.1464 0.0000 C 0 0 5.9328 -5.9059 0.0000 C 0 0 4.6282 -5.1655 0.0000 C 0 0 5.9416 -7.1059 0.0000 Br 0 0 -4.4115 4.4557 0.0000 N 0 3 1 26 1 0 2 26 1 0 3 4 1 0 3 26 1 0 4 5 1 0 5 9 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 17 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 14 18 1 0 15 16 1 0 16 17 2 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M CHG 1 26 1 M END > ZINC03815209 > 9 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -5.5861 4.7013 0.0000 C 0 0 -3.6118 5.3504 0.0000 C 0 0 -3.9422 3.0302 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -4.0792 0.0850 0.0000 Cl 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 N 0 0 3.3133 -2.9221 0.0000 N 0 0 4.6171 -3.6655 0.0000 C 0 0 5.9107 -2.9060 0.0000 C 0 0 7.2152 -3.6464 0.0000 C 0 0 7.2263 -5.1464 0.0000 C 0 0 5.9328 -5.9059 0.0000 C 0 0 4.6282 -5.1655 0.0000 C 0 0 5.9416 -7.1059 0.0000 Br 0 0 -4.4115 4.4557 0.0000 N 0 3 1 27 1 0 2 27 1 0 3 4 1 0 3 27 1 0 4 5 1 0 5 13 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 18 1 0 8 9 1 0 9 10 2 0 9 15 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 2 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 M CHG 1 27 1 M END > ZINC03815306 > 9 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -6.2559 5.9027 0.0000 C 0 0 -6.6803 3.8682 0.0000 C 0 0 -4.4115 4.4557 0.0000 C 0 0 -3.9422 3.0302 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -2.0045 1.2999 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 N 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 N 0 0 3.3133 -2.9221 0.0000 N 0 0 4.6171 -3.6655 0.0000 C 0 0 5.9107 -2.9060 0.0000 C 0 0 7.2152 -3.6464 0.0000 C 0 0 7.2263 -5.1464 0.0000 C 0 0 5.9328 -5.9059 0.0000 C 0 0 4.6282 -5.1655 0.0000 C 0 0 5.9416 -7.1059 0.0000 Br 0 0 -5.8806 4.7629 0.0000 N 0 3 1 27 1 0 2 27 1 0 3 4 1 0 3 27 1 0 4 5 1 0 5 6 1 0 6 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 2 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 M CHG 1 27 1 M END > ZINC03815208 > 9 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 -4.7419 2.1355 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 3.3133 3.0922 0.0000 N 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 5.9416 7.2760 0.0000 Br 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.8806 4.7629 0.0000 C 0 0 -6.2559 5.9027 0.0000 O 0 0 -3.9422 3.0302 0.0000 N 0 3 -6.6803 3.8682 0.0000 O 0 5 1 27 1 0 2 3 1 0 2 27 1 0 3 7 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 15 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 24 25 1 0 24 27 1 0 25 26 2 0 25 28 1 0 M CHG 2 27 1 28 -1 M END > ZINC03815067 > 9 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 6.3572 -5.0843 0.0000 C 0 0 7.4021 -2.9871 0.0000 Cl 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 N 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815382 > 10 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 6.3572 -5.0843 0.0000 C 0 0 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -4.7428 1.4191 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 21 2 0 8 9 1 0 9 17 1 0 9 10 2 0 10 11 1 0 10 19 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 18 1 0 14 15 2 0 15 16 1 0 16 17 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815179 > 10 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 7.4021 -2.9871 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 6.3572 -5.0843 0.0000 C 0 0 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -4.7428 1.4191 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 22 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 20 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 17 18 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815112 > 10 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 6.3572 -5.0843 0.0000 C 0 0 7.4021 -2.9871 0.0000 Br 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -4.7428 -1.1993 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 22 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 20 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815061 > 10 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 6.3572 -5.0843 0.0000 C 0 0 7.4021 -2.9871 0.0000 Br 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -4.7428 1.4191 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 22 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 20 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 17 18 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815048 > 10 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 6.3572 -5.0843 0.0000 C 0 0 7.4021 -2.9871 0.0000 Br 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -2.5030 -2.5190 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 22 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 20 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 19 1 0 17 18 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815120 > 10 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 6.3572 -5.0843 0.0000 C 0 0 7.4021 -2.9871 0.0000 Br 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -4.7428 -1.1993 0.0000 N 0 0 -4.7428 1.4191 0.0000 F 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 23 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 21 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 20 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 1 0 21 22 2 0 22 23 1 0 M END > ZINC03815084 > 10 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 6.3572 -5.0843 0.0000 C 0 0 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -5.0029 1.5722 0.0000 N 0 3 -6.0412 0.9705 0.0000 O 0 0 -5.0053 2.7722 0.0000 O 0 5 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 23 2 0 8 9 1 0 9 17 1 0 9 10 2 0 10 11 1 0 10 21 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 18 1 0 14 15 2 0 15 16 1 0 16 17 1 0 18 19 2 0 18 20 1 0 21 22 2 0 22 23 1 0 M CHG 2 18 1 20 -1 M END > ZINC03815255 > 10 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 7.4021 -2.9871 0.0000 C 0 0 6.3613 -3.5843 0.0000 C 0 0 6.3572 -5.0843 0.0000 C 0 0 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -5.0029 1.5722 0.0000 N 0 3 -6.0412 0.9705 0.0000 O 0 0 -5.0053 2.7722 0.0000 O 0 5 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 24 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 22 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 19 1 0 15 16 2 0 16 17 1 0 17 18 1 0 19 20 2 0 19 21 1 0 22 23 2 0 23 24 1 0 M CHG 2 19 1 21 -1 M END > ZINC03815186 > 10 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 6.3613 -3.5843 0.0000 C 0 0 6.3572 -5.0843 0.0000 C 0 0 5.0561 -5.8307 0.0000 C 0 0 3.7591 -5.0772 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 5.0643 -2.8308 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 -4.7428 1.4191 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 5.0520 -7.3316 0.0000 C 0 0 1 0 0 0 6.0892 -7.9351 0.0000 F 0 0 4.0110 -7.9284 0.0000 F 0 0 5.0482 -8.5316 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 21 2 0 8 9 1 0 9 17 1 0 9 10 2 0 10 11 1 0 10 19 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 18 1 0 14 15 2 0 15 16 1 0 16 17 1 0 19 20 2 0 20 21 1 0 22 23 1 1 22 24 1 0 22 25 1 0 M END > ZINC03815245 > 10 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -4.4966 -6.6127 0.0000 C 0 0 -3.2040 -5.8516 0.0000 C 0 0 -3.2167 -4.3517 0.0000 C 0 0 -4.5222 -3.6128 0.0000 C 0 0 -5.8148 -4.3738 0.0000 C 0 0 -5.8020 -5.8738 0.0000 C 0 0 -6.8591 -3.7827 0.0000 Br 0 0 -1.9251 -3.5874 0.0000 N 0 0 -1.9399 -2.0863 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 -0.6588 0.1464 0.0000 C 0 0 -1.9399 0.8968 0.0000 N 0 0 -3.2576 0.1464 0.0000 C 0 0 -3.2576 -1.3543 0.0000 N 0 0 0.9517 2.3608 0.0000 N 0 0 2.4524 2.5256 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 21 1 0 13 14 2 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 20 21 2 0 M END > ZINC03815322 > 11 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 3.7382 -8.0780 0.0000 C 0 0 5.0419 -7.3361 0.0000 C 0 0 5.0512 -5.8361 0.0000 C 0 0 3.7569 -5.0780 0.0000 C 0 0 2.4532 -5.8200 0.0000 C 0 0 2.4439 -7.3200 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815301 > 12 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 3.7382 -8.0780 0.0000 C 0 0 5.0419 -7.3361 0.0000 C 0 0 5.0512 -5.8361 0.0000 C 0 0 3.7569 -5.0780 0.0000 C 0 0 2.4532 -5.8200 0.0000 C 0 0 2.4439 -7.3200 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 19 20 2 0 20 21 1 0 M END > ZINC00327021 > 12 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 4.8050 -2.9818 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 1 0 0 0 3.7569 -5.0780 0.0000 C 0 0 5.0538 -5.8318 0.0000 C 0 0 5.0496 -7.3318 0.0000 C 0 0 3.7484 -8.0781 0.0000 C 0 0 2.4515 -7.3245 0.0000 C 0 0 2.4557 -5.8245 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 2 1 1 1 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 0 10 22 2 0 10 11 1 0 11 19 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815356 > 12 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 4.8050 -2.9818 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 1 0 0 0 3.7569 -5.0780 0.0000 C 0 0 5.0538 -5.8318 0.0000 C 0 0 5.0496 -7.3318 0.0000 C 0 0 3.7484 -8.0781 0.0000 C 0 0 2.4515 -7.3245 0.0000 C 0 0 2.4557 -5.8245 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 2 1 1 1 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 0 10 22 2 0 10 11 1 0 11 19 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815340 > 12 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 4.8050 -2.9818 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 2 0 0 0 3.7569 -5.0780 0.0000 C 0 0 5.0538 -5.8318 0.0000 C 0 0 5.0496 -7.3318 0.0000 C 0 0 3.7484 -8.0781 0.0000 C 0 0 2.4515 -7.3245 0.0000 C 0 0 2.4557 -5.8245 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 S 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 2 1 1 6 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 0 10 22 2 0 10 11 1 0 11 19 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 20 21 2 0 21 22 1 0 M END > ZINC04617812 > 12 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 4.8050 -2.9818 0.0000 C 0 0 3.7631 -3.5772 0.0000 C 0 0 2 0 0 0 3.7569 -5.0780 0.0000 C 0 0 5.0538 -5.8318 0.0000 C 0 0 5.0496 -7.3318 0.0000 C 0 0 3.7484 -8.0781 0.0000 C 0 0 2.4515 -7.3245 0.0000 C 0 0 2.4557 -5.8245 0.0000 C 0 0 2.4670 -2.8205 0.0000 N 0 0 2.4732 -1.3190 0.0000 C 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 2.4732 1.5389 0.0000 N 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 N 0 0 2 1 1 6 2 3 1 0 2 9 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 9 10 1 0 10 22 2 0 10 11 1 0 11 19 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 20 21 2 0 21 22 1 0 M END > ZINC04617811 > 12 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -4.4973 5.4224 0.0000 C 0 0 -3.2046 4.6615 0.0000 C 0 0 -3.2171 3.1615 0.0000 C 0 0 -4.5225 2.4225 0.0000 C 0 0 -5.8152 3.1833 0.0000 C 0 0 -5.8026 4.6833 0.0000 C 0 0 -6.8594 2.5921 0.0000 Br 0 0 -1.9253 2.3975 0.0000 N 0 0 -1.9399 0.8968 0.0000 C 0 0 -0.6588 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 0.9517 2.3608 0.0000 N 0 0 2.4524 2.5256 0.0000 C 0 0 3.0746 1.1530 0.0000 C 0 0 -1.9399 -2.0863 0.0000 N 0 0 -3.2576 -1.3543 0.0000 C 0 0 -3.2576 0.1464 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 2 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 19 20 2 0 20 21 1 0 M END > ZINC03815093 > 13 $$$$ SciTegic07110717232D 21 24 0 0 0 0 999 V2000 -4.4973 5.4224 0.0000 C 0 0 -3.2046 4.6615 0.0000 C 0 0 -3.2171 3.1615 0.0000 C 0 0 -4.5225 2.4225 0.0000 C 0 0 -5.8152 3.1833 0.0000 C 0 0 -5.8026 4.6833 0.0000 C 0 0 -6.8594 2.5921 0.0000 Br 0 0 -1.9253 2.3975 0.0000 N 0 0 -1.9399 0.8968 0.0000 C 0 0 -0.6588 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 1.9399 -1.3543 0.0000 C 0 0 1.9399 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 0.9517 2.3608 0.0000 N 0 0 2.4524 2.5256 0.0000 C 0 0 3.0746 1.1530 0.0000 N 0 0 -1.9399 -2.0863 0.0000 N 0 0 -3.2576 -1.3543 0.0000 C 0 0 -3.2576 0.1464 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 21 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 19 1 0 12 13 1 0 13 14 2 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 19 20 2 0 20 21 1 0 M END > ZINC03815222 > 13 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 3.2964 5.4106 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 -0.9991 2.7132 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 15 2 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC00006798 > 14 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC01609260 > 14 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 1.1290 -6.1548 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M END > ZINC03815377 > 14 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 0.9442 -6.3922 0.0000 C 0 0 -0.2459 -6.2376 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 M END > ZINC03815366 > 14 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 0.6549 7.3310 0.0000 C 0 0 0.3664 6.1662 0.0000 O 0 0 1.4470 5.1246 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815351 > 14 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 3.9201 -6.7775 0.0000 C 0 0 3.1913 -7.7308 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 23 24 1 0 M END > ZINC03815376 > 14 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 4.4024 7.3316 0.0000 C 0 0 3.2494 6.9990 0.0000 O 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC01609268 > 14 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 0.6549 7.3310 0.0000 C 0 0 0.3664 6.1662 0.0000 O 0 0 1.4470 5.1246 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 0.9442 -6.3922 0.0000 C 0 0 -0.2459 -6.2376 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 M END > ZINC03815391 > 14 $$$$ SciTegic07110717232D 29 32 0 0 0 0 999 V2000 0.6549 7.3310 0.0000 C 0 0 0.3664 6.1662 0.0000 O 0 0 1.4470 5.1246 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 3.9201 -6.7775 0.0000 C 0 0 3.5844 -9.3557 0.0000 C 0 0 2.6728 -10.5480 0.0000 C 0 0 3.1333 -11.6562 0.0000 O 0 0 3.0086 -7.9698 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 25 29 1 0 26 27 1 0 26 29 1 0 27 28 1 0 M CHG 1 29 1 M END > ZINC03815323 > 14 $$$$ SciTegic07110717232D 31 34 0 0 0 0 999 V2000 0.6549 7.3310 0.0000 C 0 0 0.3664 6.1662 0.0000 O 0 0 1.4470 5.1246 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9991 2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 3.9201 -6.7775 0.0000 C 0 0 3.0086 -7.9698 0.0000 C 0 0 1.8186 -7.8148 0.0000 O 0 0 3.5844 -9.3557 0.0000 N 0 0 2.6728 -10.5480 0.0000 C 0 0 3.2487 -11.9340 0.0000 C 0 0 2.5198 -12.8872 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 19 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 2 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 25 1 0 23 24 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 M END > ZINC03815390 > 14 $$$$ SciTegic07110717232D 31 34 0 0 0 0 999 V2000 4.1889 9.7040 0.0000 C 0 0 4.6914 7.4149 0.0000 C 0 0 3.2494 6.9990 0.0000 C 0 0 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 0.9442 -6.3922 0.0000 O 0 0 -0.2459 -6.2376 0.0000 C 0 0 6.4952 9.2874 0.0000 C 0 0 6.8569 10.7440 0.0000 C 0 0 8.0099 11.0766 0.0000 O 0 0 5.0532 8.8715 0.0000 N 0 3 1 31 1 0 2 3 1 0 2 31 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 14 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 28 29 1 0 28 31 1 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03815324 > 14 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 -3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 C 0 0 -2.5978 -1.5002 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 0.0000 -1.5002 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 1.2806 0.7501 0.0000 C 0 0 0.0000 1.5002 0.0000 C 0 0 -1.2989 0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 C 0 0 2.5978 1.5002 0.0000 C 0 0 3.8968 0.7501 0.0000 N 0 0 3.8968 -0.7501 0.0000 C 0 0 2.5978 -1.5002 0.0000 N 0 0 2.6098 3.0009 0.0000 N 0 0 3.9150 3.7418 0.0000 C 0 0 5.2071 2.9797 0.0000 C 0 0 6.5131 3.7175 0.0000 C 0 0 6.5271 5.2174 0.0000 C 0 0 5.2351 5.9795 0.0000 C 0 0 3.9291 5.2417 0.0000 C 0 0 5.2464 7.1795 0.0000 Br 0 0 1 10 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 14 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 1 0 11 12 2 0 11 15 1 0 12 13 1 0 13 14 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815025 > 15 $$$$ SciTegic07110717232D 22 25 0 0 0 0 999 V2000 -5.2086 -5.9951 0.0000 C 0 0 -3.9070 -5.2496 0.0000 C 0 0 -3.9017 -3.7496 0.0000 C 0 0 -5.1983 -2.9951 0.0000 C 0 0 -6.4999 -3.7406 0.0000 C 0 0 -6.5051 -5.2406 0.0000 C 0 0 -7.5370 -3.1370 0.0000 Br 0 0 -2.6009 -3.0010 0.0000 N 0 0 -2.5978 -1.5002 0.0000 C 0 0 -1.2989 -0.7501 0.0000 C 0 0 0.0000 -1.5002 0.0000 C 0 0 1.2806 -0.7501 0.0000 C 0 0 1.2806 0.7501 0.0000 C 0 0 0.0000 1.5002 0.0000 C 0 0 -1.2989 0.7501 0.0000 C 0 0 -2.5978 1.5002 0.0000 N 0 0 -3.8968 0.7501 0.0000 C 0 0 -3.8968 -0.7501 0.0000 N 0 0 2.5978 1.5002 0.0000 N 0 0 3.8968 0.7501 0.0000 C 0 0 3.8968 -0.7501 0.0000 C 0 0 2.5978 -1.5002 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 22 1 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 20 21 1 0 21 22 2 0 M END > ZINC03815106 > 15 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 1 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 15 14 1 6 15 17 1 0 15 16 1 0 16 17 1 0 17 18 1 1 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC04617810 > 16 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 2 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 15 14 1 1 15 17 1 0 15 16 1 0 16 17 1 0 17 18 1 6 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC04617809 > 16 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 1 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 15 14 1 1 15 17 1 0 15 16 1 0 16 17 1 0 17 18 1 1 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03815339 > 16 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 2 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 11 2 0 10 14 1 0 11 12 1 0 12 13 2 0 15 14 1 6 15 17 1 0 15 16 1 0 16 17 1 0 17 18 1 6 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC04617808 > 16 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 2 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 15 1 1 16 18 1 0 16 17 1 0 17 18 1 0 18 19 1 1 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC04617792 > 16 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 2 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 15 1 6 16 18 1 0 16 17 1 0 17 18 1 0 18 19 1 1 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC04617793 > 16 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 1 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 15 1 1 16 18 1 0 16 17 1 0 17 18 1 0 18 19 1 6 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815184 > 16 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 1 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 15 1 6 16 18 1 0 16 17 1 0 17 18 1 0 18 19 1 6 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC04617794 > 16 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -2.8664 3.6008 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -4.9447 3.6050 0.0000 O 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 2 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 16 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 17 1 1 18 20 1 0 18 19 1 0 19 20 1 0 20 21 1 1 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC04617801 > 16 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -2.8664 3.6008 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -4.9447 3.6050 0.0000 O 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 2 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 16 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 17 1 6 18 20 1 0 18 19 1 0 19 20 1 0 20 21 1 1 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC04617802 > 16 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -2.8664 3.6008 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -4.9447 3.6050 0.0000 O 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 1 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 16 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 17 1 1 18 20 1 0 18 19 1 0 19 20 1 0 20 21 1 6 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC04617803 > 16 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 -2.8664 3.6008 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -4.9447 3.6050 0.0000 O 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 1 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 16 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 17 1 6 18 20 1 0 18 19 1 0 19 20 1 0 20 21 1 6 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC03815267 > 16 $$$$ SciTegic07110717232D 30 33 0 0 0 0 999 V2000 -7.5362 8.1132 0.0000 C 0 0 -5.4579 8.1089 0.0000 C 0 0 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 1 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 -6.4983 7.5109 0.0000 N 0 3 1 30 1 0 2 30 1 0 3 4 1 0 3 30 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 19 1 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 20 1 1 21 23 1 0 21 22 1 0 22 23 1 0 23 24 1 6 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC04617798 > 16 $$$$ SciTegic07110717232D 30 33 0 0 0 0 999 V2000 -7.5362 8.1132 0.0000 C 0 0 -5.4579 8.1089 0.0000 C 0 0 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 2 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 -6.4983 7.5109 0.0000 N 0 3 1 30 1 0 2 30 1 0 3 4 1 0 3 30 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 19 1 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 20 1 1 21 23 1 0 21 22 1 0 22 23 1 0 23 24 1 1 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC03815217 > 16 $$$$ SciTegic07110717232D 30 33 0 0 0 0 999 V2000 -7.5362 8.1132 0.0000 C 0 0 -5.4579 8.1089 0.0000 C 0 0 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 2 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 -6.4983 7.5109 0.0000 N 0 3 1 30 1 0 2 30 1 0 3 4 1 0 3 30 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 19 1 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 20 1 6 21 23 1 0 21 22 1 0 22 23 1 0 23 24 1 1 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC04617797 > 16 $$$$ SciTegic07110717232D 30 33 0 0 0 0 999 V2000 -7.5362 8.1132 0.0000 C 0 0 -5.4579 8.1089 0.0000 C 0 0 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 4.0210 3.6960 0.0000 C 0 0 3.2756 4.9976 0.0000 C 0 0 1 0 0 0 3.2568 6.4983 0.0000 C 0 0 4.7519 6.7228 0.0000 C 0 0 5.2848 8.1250 0.0000 C 0 0 4.3370 9.2875 0.0000 C 0 0 2.8562 9.0480 0.0000 C 0 0 2.3233 7.6458 0.0000 C 0 0 -6.4983 7.5109 0.0000 N 0 3 1 30 1 0 2 30 1 0 3 4 1 0 3 30 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 19 1 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 20 1 6 21 23 1 0 21 22 1 0 22 23 1 0 23 24 1 6 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 30 1 M END > ZINC04617799 > 16 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 2.9980 0.0000 N 0 0 0.0955 3.8338 0.0000 C 0 0 0.5482 5.2667 0.0000 C 0 0 2.0415 5.2749 0.0000 C 0 0 2.5057 3.8538 0.0000 C 0 0 3.9739 3.5278 0.0000 C 0 0 4.9840 4.6632 0.0000 C 0 0 4.5198 6.0844 0.0000 C 0 0 3.0343 6.4047 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03815395 > 17 $$$$ SciTegic07110717232D 23 26 0 0 0 0 999 V2000 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 23 2 0 8 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 21 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 2 0 22 23 1 0 M END > ZINC00021592 > 18 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 5.9785 -5.7917 0.0000 Cl 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 24 2 0 8 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 22 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815265 > 18 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -5.9323 -3.1786 0.0000 Cl 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 7.7700 -3.7717 0.0000 O 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 25 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 23 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 24 2 0 24 25 1 0 M END > ZINC00839396 > 18 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 6.9164 -1.2102 0.0000 O 0 0 2.1855 -2.6254 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 13 2 0 9 10 1 0 10 17 2 0 10 11 1 0 11 12 1 0 11 14 2 0 12 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M END > ZINC03815082 > 18 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -5.9323 -3.1786 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 5.9785 -5.7917 0.0000 Cl 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 25 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 23 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815194 > 18 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -5.9323 -3.1786 0.0000 Cl 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 5.9785 -5.7917 0.0000 Cl 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 25 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 23 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 23 24 2 0 24 25 1 0 M END > ZINC00839389 > 18 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.5873 -6.0231 0.0000 C 0 0 -2.2900 -5.2700 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -5.9323 -3.1786 0.0000 Cl 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 7.7700 -3.7717 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 25 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 23 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815150 > 18 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 8.2936 -1.2295 0.0000 C 0 0 7.1183 -0.9872 0.0000 O 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 14 2 0 10 11 1 0 11 18 2 0 11 12 1 0 12 13 1 0 12 15 2 0 13 14 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 M END > ZINC03815169 > 18 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 8.4418 -4.9741 0.0000 C 0 0 8.0641 -3.8351 0.0000 O 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 14 2 0 10 11 1 0 11 18 2 0 11 12 1 0 12 13 1 0 12 15 2 0 13 14 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 M END > ZINC00839395 > 18 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 8.4418 -4.9741 0.0000 C 0 0 8.0641 -3.8351 0.0000 N 0 0 8.8619 -2.9387 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 11 15 2 0 11 12 1 0 12 19 2 0 12 13 1 0 13 14 1 0 13 16 2 0 14 15 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 M END > ZINC03815219 > 18 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 3.9235 3.1222 0.0000 C 0 0 4.9401 4.2287 0.0000 C 0 0 4.2029 5.5275 0.0000 C 0 0 2.7395 5.2215 0.0000 C 0 0 1.7251 6.3319 0.0000 C 0 0 2.2060 7.7735 0.0000 C 0 0 3.6694 8.0795 0.0000 C 0 0 4.6875 6.9512 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 15 1 1 16 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC04617814 > 19 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.9235 3.1222 0.0000 C 0 0 4.9401 4.2287 0.0000 C 0 0 4.2029 5.5275 0.0000 C 0 0 2.7395 5.2215 0.0000 C 0 0 1.7251 6.3319 0.0000 C 0 0 2.2060 7.7735 0.0000 C 0 0 3.6694 8.0795 0.0000 C 0 0 4.6875 6.9512 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 15 1 6 16 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03815409 > 19 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 5.4439 -4.3516 0.0000 O 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 12 2 0 8 9 1 0 9 16 2 0 9 10 1 0 10 11 1 0 10 13 2 0 11 12 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC03815213 > 20 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 5.4439 -4.3516 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 12 2 0 8 9 1 0 9 16 2 0 9 10 1 0 10 11 1 0 10 13 2 0 11 12 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 M END > ZINC03815151 > 20 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 1.8565 -5.2005 0.0000 C 0 0 1.2781 -3.8165 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 3.6753 -2.8147 0.0000 C 0 0 4.2537 -4.1987 0.0000 C 0 0 3.3443 -5.3916 0.0000 C 0 0 5.7419 -4.3929 0.0000 N 0 3 6.2030 -5.5008 0.0000 O 0 0 6.4710 -3.4399 0.0000 O 0 5 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 10 14 2 0 10 11 1 0 11 18 2 0 11 12 1 0 12 13 1 0 12 15 2 0 13 14 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 M CHG 2 7 1 9 -1 M END > ZINC03815230 > 20 $$$$ SciTegic07110717232D 24 27 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8892 2.9867 0.0000 C 0 0 5.2152 3.7291 0.0000 C 0 0 5.2124 5.2331 0.0000 C 0 0 3.9242 5.9919 0.0000 C 0 0 2.6075 5.2651 0.0000 C 0 0 4.2533 7.4485 0.0000 C 0 0 5.7185 7.6011 0.0000 C 0 0 6.3269 6.2271 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC00018522 > 21 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 5.0663 -7.2034 0.0000 C 0 0 6.0655 -6.0846 0.0000 C 0 0 5.5962 -4.6599 0.0000 C 0 0 4.1277 -4.3539 0.0000 C 0 0 3.1285 -5.4728 0.0000 C 0 0 3.5978 -6.8975 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 13 2 0 9 10 1 0 10 17 2 0 10 11 1 0 11 12 1 0 11 14 2 0 12 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 M END > ZINC03815160 > 22 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 2.9775 -9.1581 0.0000 C 0 0 2.6004 -8.0189 0.0000 O 0 0 3.5978 -6.8975 0.0000 C 0 0 5.0663 -7.2034 0.0000 C 0 0 6.0655 -6.0846 0.0000 C 0 0 5.5962 -4.6599 0.0000 C 0 0 4.1277 -4.3539 0.0000 C 0 0 3.1285 -5.4728 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 15 2 0 11 12 1 0 12 19 2 0 12 13 1 0 13 14 1 0 13 16 2 0 14 15 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 M END > ZINC03815171 > 22 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 6.7140 -8.8709 0.0000 C 0 0 5.5388 -8.6279 0.0000 O 0 0 5.0663 -7.2034 0.0000 C 0 0 6.0655 -6.0846 0.0000 C 0 0 5.5962 -4.6599 0.0000 C 0 0 4.1277 -4.3539 0.0000 C 0 0 3.1285 -5.4728 0.0000 C 0 0 3.5978 -6.8975 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -2.2935 -3.7700 0.0000 C 0 0 -3.5944 -3.0231 0.0000 C 0 0 -4.8917 -3.7761 0.0000 C 0 0 -4.8881 -5.2761 0.0000 C 0 0 -3.5873 -6.0231 0.0000 C 0 0 -2.2901 -5.2700 0.0000 C 0 0 -3.5845 -7.2231 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 1 0 11 15 2 0 11 12 1 0 12 19 2 0 12 13 1 0 13 14 1 0 13 16 2 0 14 15 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 M END > ZINC03815161 > 22 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.9070 2.9854 0.0000 C 0 0 5.2026 3.7360 0.0000 N 0 0 5.1913 5.2488 0.0000 C 0 0 3.8936 5.9953 0.0000 C 0 0 2.5980 5.2447 0.0000 C 0 0 1.3003 5.9911 0.0000 C 0 0 1.2982 7.4882 0.0000 C 0 0 2.5938 8.2388 0.0000 C 0 0 3.8915 7.4923 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 25 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > ZINC03815158 > 23 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 2.6059 5.2439 0.0000 C 0 0 1.3120 5.9968 0.0000 C 0 0 1.3082 7.5097 0.0000 C 0 0 2.6075 8.2538 0.0000 C 0 0 3.9105 7.4851 0.0000 C 0 0 3.9052 5.9880 0.0000 C 0 0 5.1991 5.2351 0.0000 C 0 0 5.1938 3.7381 0.0000 C 0 0 3.8946 2.9939 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 25 2 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815305 > 23 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -7.5317 3.6272 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.9086 1.5029 0.0000 N 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -6.4965 3.0203 0.0000 N 0 3 -2.6111 -0.7486 0.0000 N 0 0 1 24 1 0 2 3 1 0 2 24 1 0 3 4 1 0 4 5 1 0 7 4 1 1 5 6 1 0 6 24 1 0 7 8 1 0 7 25 1 0 9 8 1 4 9 15 1 0 9 10 1 0 10 11 1 4 10 12 1 0 11 25 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 4 17 16 1 6 17 22 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 6 M CHG 1 24 1 M END > ZINC03815157 > 24 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.9103 2.9924 0.0000 N 0 0 5.2101 3.7351 0.0000 C 0 0 6.5032 2.9806 0.0000 C 0 0 7.8030 3.7233 0.0000 C 0 0 7.8098 5.2206 0.0000 C 0 0 6.5168 5.9751 0.0000 C 0 0 5.2169 5.2324 0.0000 C 0 0 3.9239 5.9869 0.0000 N 0 0 2.6059 5.2442 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 25 2 0 16 17 1 0 17 18 2 0 18 23 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815396 > 25 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.9103 2.9924 0.0000 C 0 0 5.2101 3.7351 0.0000 C 0 0 6.5032 2.9806 0.0000 C 0 0 7.8030 3.7233 0.0000 C 0 0 7.8098 5.2206 0.0000 C 0 0 6.5168 5.9751 0.0000 C 0 0 5.2169 5.2324 0.0000 C 0 0 3.9239 5.9869 0.0000 C 0 0 2.6059 5.2442 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 25 2 0 16 17 1 0 17 18 2 0 18 23 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815371 > 25 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9072 -2.7019 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 3.8948 2.9937 0.0000 C 0 0 5.2023 3.7549 0.0000 N 0 0 5.2058 5.2519 0.0000 C 0 0 6.5041 5.9973 0.0000 C 0 0 6.5075 7.4943 0.0000 C 0 0 5.2126 8.2460 0.0000 C 0 0 3.9143 7.5007 0.0000 C 0 0 3.9108 6.0036 0.0000 C 0 0 2.6125 5.2583 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 14 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 25 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 M END > ZINC03815389 > 25 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -2.2702 -8.2708 0.0000 C 0 0 -3.5736 -7.5284 0.0000 C 0 0 -3.5824 -6.0284 0.0000 C 0 0 -2.2878 -5.2708 0.0000 C 0 0 -0.9844 -6.0132 0.0000 C 0 0 -0.9756 -7.5132 0.0000 C 0 0 -2.2935 -3.7700 0.0000 C 0 0 -0.9971 -3.0138 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 N 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 5.9785 -5.7917 0.0000 Cl 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 25 2 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 23 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 23 24 2 0 24 25 1 0 M END > ZINC03815403 > 26 $$$$ SciTegic07110717232D 25 28 0 0 0 0 999 V2000 -3.6365 5.9928 0.0000 C 0 0 -4.9331 5.2385 0.0000 C 0 0 -4.9282 3.7385 0.0000 C 0 0 -3.6267 2.9927 0.0000 C 0 0 -2.3301 3.7470 0.0000 C 0 0 -2.3350 5.2470 0.0000 C 0 0 -3.6187 1.4919 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 N 0 0 -3.6267 -2.9927 0.0000 C 0 0 -2.3301 -3.7470 0.0000 C 0 0 -2.3350 -5.2470 0.0000 C 0 0 -3.6365 -5.9928 0.0000 C 0 0 -4.9331 -5.2385 0.0000 C 0 0 -4.9282 -3.7385 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 24 1 0 10 11 1 0 11 12 2 0 11 21 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 M END > ZINC00006094 > 27 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -4.9282 3.7385 0.0000 C 0 0 -4.9331 5.2385 0.0000 C 0 0 -3.6365 5.9928 0.0000 C 0 0 -2.3350 5.2470 0.0000 C 0 0 -2.3301 3.7470 0.0000 C 0 0 -3.6267 2.9927 0.0000 C 0 0 -3.6187 1.4919 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 N 0 0 -3.6267 -2.9927 0.0000 C 0 0 -2.3301 -3.7470 0.0000 C 0 0 -2.3350 -5.2470 0.0000 C 0 0 -3.6365 -5.9928 0.0000 C 0 0 -4.9331 -5.2385 0.0000 C 0 0 -4.9282 -3.7385 0.0000 C 0 0 -3.6404 -7.1928 0.0000 F 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 -3.6404 7.1928 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 27 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 25 1 0 10 11 1 0 11 12 2 0 11 22 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 2 0 M END > ZINC00600430 > 27 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -3.9859 -6.1123 0.0000 C 0 0 -4.4443 -7.5405 0.0000 N 0 0 -5.9442 -7.5459 0.0000 C 0 0 -6.4129 -6.1210 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 26 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 24 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 24 25 2 0 25 26 1 0 M END > ZINC03815123 > 28 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.9438 -0.7410 0.0000 C 0 0 -9.4100 -1.0578 0.0000 N 0 0 -10.1643 0.2387 0.0000 C 0 0 -9.1644 1.3568 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 26 1 0 14 13 1 6 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 25 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 M END > ZINC03815071 > 28 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -3.9859 -6.1123 0.0000 C 0 0 -4.4443 -7.5405 0.0000 N 0 0 -5.9442 -7.5459 0.0000 C 0 0 -6.4129 -6.1210 0.0000 N 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 26 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 24 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 23 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 24 25 2 0 25 26 1 0 M END > ZINC03815047 > 28 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 3.9114 7.1922 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 3 0 0 0 5.2037 5.2377 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.9438 -0.7410 0.0000 C 0 0 -9.4100 -1.0578 0.0000 N 0 0 -10.1643 0.2387 0.0000 C 0 0 -9.1644 1.3568 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 4 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 1 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 26 1 0 14 13 1 4 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 25 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 M END > ZINC03815094 > 28 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 2 0 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 N 0 0 -7.8113 0.7426 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 26 1 0 14 13 1 6 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 20 19 1 1 20 25 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M END > ZINC03815098 > 29 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -7.9438 -0.7410 0.0000 C 0 0 -9.4100 -1.0578 0.0000 N 0 0 -10.1643 0.2387 0.0000 C 0 0 -9.1644 1.3568 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 26 1 0 12 13 1 0 12 18 1 4 12 26 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 25 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 M END > ZINC03815164 > 30 $$$$ SciTegic07110717232D 26 29 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 2 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -3.9859 6.1123 0.0000 C 0 0 -4.4443 7.5405 0.0000 N 0 0 -5.9442 7.5459 0.0000 C 0 0 -6.4129 6.1210 0.0000 N 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 26 1 0 12 13 1 0 12 18 1 1 12 26 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 25 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 M END > ZINC03815076 > 30 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 N 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03815354 > 31 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC00838734 > 31 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC00601820 > 31 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.2173 -5.8607 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 M END > ZINC03815288 > 31 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 -2.3272 -3.6028 0.0000 C 0 0 -1.2907 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 21 2 0 4 5 1 0 5 6 1 0 5 18 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03815350 > 31 $$$$ SciTegic07110717232D 29 32 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 3.8765 -7.5035 0.0000 O 0 0 4.9145 -8.1056 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 28 29 1 0 M END > ZINC03815309 > 31 $$$$ SciTegic07110717232D 29 32 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4789 -6.0094 0.0000 O 0 0 7.5194 -5.4115 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 M END > ZINC03815223 > 31 $$$$ SciTegic07110717232D 29 32 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4789 -6.0094 0.0000 C 0 0 7.5194 -5.4115 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 M END > ZINC02047503 > 31 $$$$ SciTegic07110717232D 29 32 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4893 -3.0139 0.0000 O 0 0 7.5256 -3.6191 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > ZINC03815370 > 31 $$$$ SciTegic07110717232D 30 33 0 0 0 0 999 V2000 -1.2928 -2.6973 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4789 -6.0094 0.0000 C 0 0 7.5194 -5.4115 0.0000 O 0 0 6.4768 -7.2094 0.0000 O 0 5 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 28 30 1 0 M CHG 1 30 -1 M END > ZINC03815299 > 31 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -10.4041 -0.7684 0.0000 O 0 0 -9.1025 -1.5141 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -7.8109 0.7403 0.0000 N 0 3 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 26 1 0 12 13 1 0 12 18 1 4 12 26 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 27 1 0 21 22 1 0 21 27 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 27 1 0 M CHG 1 27 1 M END > ZINC03815128 > 32 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -6.4988 -6.0116 0.0000 C 0 0 -6.4935 -7.5116 0.0000 C 0 0 -5.1917 -8.2569 0.0000 O 0 0 -3.8954 -7.5022 0.0000 C 0 0 -3.9008 -6.0022 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -5.2025 -5.2568 0.0000 N 0 3 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 26 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 24 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 27 1 0 19 20 1 0 19 27 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 27 1 0 24 25 2 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03815114 > 33 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 6.2356 3.1342 0.0000 C 0 0 5.1985 3.7378 0.0000 C 0 0 2 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3 0 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -10.4041 -0.7684 0.0000 O 0 0 -9.1025 -1.5141 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -7.8109 0.7403 0.0000 N 0 3 2 1 1 1 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 26 1 0 14 13 1 4 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 27 1 0 21 22 1 0 21 27 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 27 1 0 M CHG 1 27 1 M END > ZINC03815099 > 33 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -6.4988 -6.0116 0.0000 C 0 0 -6.4935 -7.5116 0.0000 C 0 0 -5.1917 -8.2569 0.0000 O 0 0 -3.8954 -7.5022 0.0000 C 0 0 -3.9008 -6.0022 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -5.2025 -5.2568 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 26 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 24 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 27 1 0 19 20 1 0 19 27 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 27 1 0 24 25 2 0 25 26 1 0 M CHG 1 27 1 M END > ZINC03815074 > 33 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -9.1125 1.4859 0.0000 C 0 0 -10.4091 0.7316 0.0000 C 0 0 -10.4041 -0.7684 0.0000 O 0 0 -9.1025 -1.5141 0.0000 C 0 0 -7.8060 -0.7598 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -7.8109 0.7403 0.0000 N 0 3 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 26 1 0 14 13 1 6 13 26 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 27 1 0 21 22 1 0 21 27 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 27 1 0 M CHG 1 27 1 M END > ZINC03815065 > 33 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 -10.4091 0.7316 0.0000 C 0 0 -10.4041 -0.7684 0.0000 C 0 0 -9.1025 -1.5141 0.0000 C 0 0 -7.8060 -0.7598 0.0000 N 0 0 -7.8109 0.7403 0.0000 C 0 0 2 0 0 0 -9.1125 1.4859 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 1.2995 2.9981 0.0000 N 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 3.8969 2.9922 0.0000 C 0 0 5.1985 3.7377 0.0000 C 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 6 7 8 1 0 8 9 1 0 10 9 1 1 10 11 1 0 10 27 1 0 12 11 1 4 12 18 1 0 12 13 1 0 13 14 1 4 13 15 1 0 14 27 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 4 20 19 1 6 20 25 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 6 M END > ZINC03815091 > 33 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 -3.6486 1.3517 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2907 -2.9981 0.0000 N 0 0 -2.5870 -3.7544 0.0000 C 0 0 -3.8880 -3.0076 0.0000 C 0 0 -5.1852 -3.7608 0.0000 C 0 0 -5.1815 -5.2608 0.0000 C 0 0 -3.8807 -6.0076 0.0000 C 0 0 -2.5835 -5.2544 0.0000 C 0 0 -3.8777 -7.2076 0.0000 Br 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 6.4814 -6.0110 0.0000 C 0 0 6.4763 -7.5110 0.0000 C 0 0 5.1746 -8.2565 0.0000 O 0 0 3.8782 -7.5021 0.0000 C 0 0 3.8834 -6.0021 0.0000 C 0 0 5.1850 -5.2565 0.0000 N 0 3 1 2 1 0 2 11 2 0 2 3 1 0 3 4 2 0 4 9 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 20 1 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 20 21 1 0 21 22 1 0 22 28 1 0 23 24 1 0 23 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M CHG 1 28 1 M END > ZINC03815279 > 33 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 5.1985 -3.7377 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 2.6056 -5.2467 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 1 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9114 -7.1922 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 3 0 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -9.1121 1.4882 0.0000 N 0 0 -9.2498 2.9691 0.0000 C 0 0 -10.7170 3.2811 0.0000 C 0 0 -11.4671 1.9822 0.0000 N 0 0 -10.4636 0.8673 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 1 4 5 1 0 5 6 1 0 5 7 1 1 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 27 1 0 12 13 1 0 12 18 1 4 12 27 1 0 14 13 1 4 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > ZINC03815062 > 34 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -9.1121 1.4882 0.0000 N 0 0 -9.2498 2.9691 0.0000 C 0 0 -10.7170 3.2811 0.0000 C 0 0 -11.4671 1.9822 0.0000 N 0 0 -10.4636 0.8673 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 27 1 0 12 13 1 0 12 18 1 4 12 27 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > ZINC03815132 > 34 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -6.5006 -6.0101 0.0000 N 0 0 -7.8521 -5.3892 0.0000 C 0 0 -8.8557 -6.5041 0.0000 C 0 0 -8.1055 -7.8030 0.0000 N 0 0 -6.6383 -7.4909 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 27 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 25 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 24 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 25 26 2 0 26 27 1 0 M END > ZINC03815113 > 35 $$$$ SciTegic07110717232D 27 30 0 0 0 0 999 V2000 5.1985 3.7377 0.0000 C 0 0 3.8969 2.9922 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 1 0 0 0 2.6056 5.2467 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 1 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9114 7.1922 0.0000 Br 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9091 1.5019 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 -6.5006 6.0101 0.0000 N 0 0 -7.8521 5.3892 0.0000 C 0 0 -8.8557 6.5041 0.0000 C 0 0 -8.1055 7.8030 0.0000 N 0 0 -6.6383 7.4909 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 3 8 1 6 4 5 1 0 5 6 1 0 5 7 1 6 9 8 1 4 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 6 12 27 1 0 14 13 1 4 13 27 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 26 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 M END > ZINC03815105 > 35 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 -5.2030 3.7575 0.0000 C 0 0 -5.1976 5.2575 0.0000 C 0 0 -3.8958 6.0028 0.0000 C 0 0 -2.5995 5.2481 0.0000 C 0 0 -2.6050 3.7481 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 -2.5995 -5.2481 0.0000 C 0 0 -3.8958 -6.0028 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -3.8915 -7.2028 0.0000 F 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 2.6973 0.0000 O 0 0 -3.8915 7.2028 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 28 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 26 1 0 10 11 1 0 11 12 2 0 11 22 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 M END > ZINC00837641 > 36 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 6.2356 3.1342 0.0000 C 0 0 5.1985 3.7378 0.0000 C 0 0 2 0 0 0 5.2037 5.2377 0.0000 C 0 0 3.9072 5.9922 0.0000 C 0 0 2.6056 5.2467 0.0000 C 0 0 2.6003 3.7467 0.0000 C 0 0 3 0 0 0 3.8969 2.9922 0.0000 C 0 0 1.2995 2.9981 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 0.0000 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3 0 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -10.4113 0.7384 0.0000 C 0 0 -11.7103 1.4885 0.0000 C 0 0 -11.7101 2.9885 0.0000 O 0 0 -10.4110 3.7384 0.0000 C 0 0 -9.1120 2.9883 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -9.1121 1.4882 0.0000 N 0 3 2 1 1 1 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 4 11 12 1 0 12 18 1 4 12 27 1 0 14 13 1 4 13 27 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 28 1 0 22 23 1 0 22 28 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 28 1 0 M CHG 1 28 1 M END > ZINC03815109 > 37 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 6.2356 -3.1342 0.0000 Br 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -3.9091 -1.5019 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -6.5005 -7.5101 0.0000 C 0 0 -7.7994 -8.2603 0.0000 C 0 0 -9.0986 -7.5105 0.0000 O 0 0 -9.0988 -6.0105 0.0000 C 0 0 -7.7999 -5.2603 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -6.5006 -6.0101 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 27 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 11 25 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 28 1 0 20 21 1 0 20 28 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 28 1 0 25 26 2 0 26 27 1 0 M CHG 1 28 1 M END > ZINC03815122 > 37 $$$$ SciTegic07110717232D 28 32 0 0 0 0 999 V2000 5.9328 6.0760 0.0000 C 0 0 4.6282 5.3356 0.0000 C 0 0 4.6171 3.8356 0.0000 C 0 0 5.9107 3.0761 0.0000 C 0 0 7.2152 3.8165 0.0000 C 0 0 7.2263 5.3165 0.0000 C 0 0 8.2500 3.2089 0.0000 Br 0 0 3.3133 3.0922 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 N 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 -2.0045 -1.1298 0.0000 N 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -4.4134 4.4543 0.0000 C 0 0 -5.8823 4.7583 0.0000 C 0 0 -6.8800 3.6382 0.0000 O 0 0 -6.4088 2.2141 0.0000 C 0 0 -4.9400 1.9101 0.0000 C 0 0 -3.9422 3.0302 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 21 1 0 12 13 1 0 13 14 2 0 13 19 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 28 1 0 23 24 1 0 23 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M CHG 1 28 1 M END > ZINC03815147 > 38 $$$$ SciTegic07110717232D 28 31 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -10.4113 0.7384 0.0000 C 0 0 -11.7103 1.4885 0.0000 C 0 0 -11.7101 2.9885 0.0000 O 0 0 -10.4110 3.7384 0.0000 C 0 0 -9.1120 2.9883 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -9.1121 1.4882 0.0000 N 0 3 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 27 1 0 12 13 1 0 12 18 1 4 12 27 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 28 1 0 22 23 1 0 22 28 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 28 1 0 M CHG 1 28 1 M END > ZINC03815178 > 39 $$$$ SciTegic07110717232D 29 32 0 0 0 0 999 V2000 6.2356 -3.1342 0.0000 C 0 0 5.1985 -3.7378 0.0000 C 0 0 2 0 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 2.6003 -3.7467 0.0000 C 0 0 3 0 0 0 3.8969 -2.9922 0.0000 C 0 0 1.2995 -2.9981 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 1 0 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 3 0 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 2 0 0 0 1.2964 1.4973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 N 0 0 -5.2109 0.7445 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -7.8109 0.7403 0.0000 C 0 0 -10.4113 0.7384 0.0000 C 0 0 -11.7103 1.4885 0.0000 C 0 0 -10.4110 3.7384 0.0000 C 0 0 -9.1120 2.9883 0.0000 C 0 0 -12.7493 3.5886 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -9.1121 1.4882 0.0000 N 0 3 -11.7101 2.9885 0.0000 N 0 3 2 1 1 6 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 4 9 8 1 6 9 17 1 0 9 10 1 0 10 14 1 0 10 11 1 1 11 27 1 0 12 13 1 0 12 18 1 4 12 27 1 0 14 13 1 6 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 28 1 0 22 23 1 0 22 28 1 0 23 29 1 0 24 25 1 0 24 29 1 0 25 28 1 0 26 29 1 0 M CHG 2 28 1 29 1 M END > ZINC03815155 > 39 $$$$ SciTegic07110717232D 32 36 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -6.5005 -7.5101 0.0000 C 0 0 -7.7994 -8.2603 0.0000 C 0 0 -9.0986 -7.5105 0.0000 O 0 0 -9.0988 -6.0105 0.0000 C 0 0 -7.7999 -5.2603 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 2 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 -6.5006 -6.0101 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 21 1 0 5 6 1 0 6 7 2 0 6 18 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 32 1 0 13 14 1 0 13 32 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 32 1 0 18 19 2 0 18 22 1 0 19 20 1 0 20 21 2 0 23 22 1 1 23 25 1 0 23 24 1 0 24 25 1 0 25 26 1 6 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC04617805 > 40 $$$$ SciTegic07110717232D 32 36 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -6.5005 -7.5101 0.0000 C 0 0 -7.7994 -8.2603 0.0000 C 0 0 -9.0986 -7.5105 0.0000 O 0 0 -9.0988 -6.0105 0.0000 C 0 0 -7.7999 -5.2603 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 1 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 -6.5006 -6.0101 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 21 1 0 5 6 1 0 6 7 2 0 6 18 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 32 1 0 13 14 1 0 13 32 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 32 1 0 18 19 2 0 18 22 1 0 19 20 1 0 20 21 2 0 23 22 1 6 23 25 1 0 23 24 1 0 24 25 1 0 25 26 1 1 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC04617806 > 40 $$$$ SciTegic07110717232D 32 36 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -6.5005 -7.5101 0.0000 C 0 0 -7.7994 -8.2603 0.0000 C 0 0 -9.0986 -7.5105 0.0000 O 0 0 -9.0988 -6.0105 0.0000 C 0 0 -7.7999 -5.2603 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 1 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 1 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 -6.5006 -6.0101 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 21 1 0 5 6 1 0 6 7 2 0 6 18 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 32 1 0 13 14 1 0 13 32 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 32 1 0 18 19 2 0 18 22 1 0 19 20 1 0 20 21 2 0 23 22 1 1 23 25 1 0 23 24 1 0 24 25 1 0 25 26 1 1 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC04617807 > 40 $$$$ SciTegic07110717232D 32 36 0 0 0 0 999 V2000 -3.9072 2.7019 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -6.5005 -7.5101 0.0000 C 0 0 -7.7994 -8.2603 0.0000 C 0 0 -9.0986 -7.5105 0.0000 O 0 0 -9.0988 -6.0105 0.0000 C 0 0 -7.7999 -5.2603 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 1.2995 -2.9981 0.0000 N 0 0 2.6003 -3.7467 0.0000 C 0 0 2 0 0 0 4.0210 -3.6960 0.0000 C 0 0 3.2756 -4.9976 0.0000 C 0 0 2 0 0 0 3.2568 -6.4983 0.0000 C 0 0 4.7519 -6.7228 0.0000 C 0 0 5.2848 -8.1250 0.0000 C 0 0 4.3370 -9.2875 0.0000 C 0 0 2.8562 -9.0480 0.0000 C 0 0 2.3233 -7.6458 0.0000 C 0 0 -6.5006 -6.0101 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 21 1 0 5 6 1 0 6 7 2 0 6 18 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 32 1 0 13 14 1 0 13 32 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 32 1 0 18 19 2 0 18 22 1 0 19 20 1 0 20 21 2 0 23 22 1 6 23 25 1 0 23 24 1 0 24 25 1 0 25 26 1 6 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC03815325 > 40 $$$$