SciTegic07110717572D 25 27 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 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 -3.9106 -1.4992 0.0000 C 0 0 -3.9112 -3.0001 0.0000 C 0 0 -2.6124 -3.7506 0.0000 C 0 0 -2.6130 -5.2506 0.0000 C 0 0 -3.9123 -6.0001 0.0000 C 0 0 -5.2111 -5.2496 0.0000 C 0 0 -5.2105 -3.7496 0.0000 C 0 0 -3.9160 -7.5009 0.0000 C 0 0 -4.9563 -8.0990 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 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 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -2.8780 -8.1031 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 20 1 0 4 5 1 0 5 6 2 0 5 17 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 2 0 15 25 1 0 17 18 1 0 17 23 1 1 17 24 1 0 18 19 1 0 19 20 1 0 20 21 1 6 20 22 1 0 M CHG 1 25 -1 M END > ZINC03834069 > 1 $$$$ SciTegic07110717572D 26 28 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -5.2118 -0.7566 0.0000 C 0 0 -3.9067 -3.0027 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 -2.5995 -5.2481 0.0000 C 0 0 -3.8958 -6.0028 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -3.8935 -7.5036 0.0000 C 0 0 -4.9314 -8.1059 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -2.8531 -8.1017 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 21 1 0 4 5 1 0 5 6 2 0 5 18 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 16 17 2 0 16 26 1 0 18 19 1 0 18 24 1 1 18 25 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 M CHG 1 26 -1 M END > ZINC01539579 > 1 $$$$ SciTegic07110717572D 26 28 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -5.2118 -0.7566 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 -2.5995 -5.2481 0.0000 C 0 0 -3.8958 -6.0028 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -3.8935 -7.5036 0.0000 C 0 0 -4.9314 -8.1059 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -2.8531 -8.1017 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 21 1 0 4 5 1 0 5 6 2 0 5 18 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 16 17 2 0 16 26 1 0 18 19 1 0 18 24 1 1 18 25 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 M CHG 1 26 -1 M END > ZINC04632537 > 1 $$$$ SciTegic07110717572D 26 28 0 0 0 0 999 V2000 -2.5942 2.2092 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8905 -1.5029 0.0000 C 0 0 3.8888 -3.0037 0.0000 N 0 0 5.1872 -3.7564 0.0000 O 0 0 5.1929 -0.7569 0.0000 C 0 0 6.4895 -1.5111 0.0000 C 0 0 7.7910 -0.7655 0.0000 C 0 0 7.7961 0.7345 0.0000 C 0 0 6.4997 1.4889 0.0000 C 0 0 5.1981 0.7433 0.0000 C 0 0 9.0969 1.4831 0.0000 C 0 0 9.0993 2.6831 0.0000 O 0 0 -2.5942 -2.2092 0.0000 C 0 0 0.0059 -2.2017 0.0000 C 0 0 0.0059 2.2017 0.0000 C 0 0 10.1351 0.8814 0.0000 O 0 5 2 1 1 6 2 7 1 0 2 3 1 0 2 25 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 23 1 6 5 24 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 26 1 0 M CHG 1 26 -1 M END > ZINC03834076 > 1 $$$$ SciTegic07110717572D 26 28 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -4.9494 -0.9039 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 -2.5995 -5.2481 0.0000 C 0 0 -3.8958 -6.0028 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -3.8935 -7.5036 0.0000 C 0 0 -4.9314 -8.1059 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -2.8531 -8.1017 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 21 1 0 4 5 1 0 5 6 2 0 5 18 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 16 17 2 0 16 26 1 0 18 19 1 0 18 24 1 1 18 25 1 0 19 20 1 0 20 21 1 0 21 22 1 6 21 23 1 0 M CHG 1 26 -1 M END > ZINC03834070 > 1 $$$$ SciTegic07110717572D 27 29 0 0 0 0 999 V2000 -2.5942 2.2092 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 2 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.8905 -1.5029 0.0000 C 0 0 3.8888 -3.0037 0.0000 N 0 0 2.5887 -3.7534 0.0000 O 0 0 2.5870 -5.2543 0.0000 C 0 0 5.1929 -0.7569 0.0000 C 0 0 6.4895 -1.5111 0.0000 C 0 0 7.7910 -0.7655 0.0000 C 0 0 7.7961 0.7345 0.0000 C 0 0 6.4997 1.4889 0.0000 C 0 0 5.1981 0.7433 0.0000 C 0 0 9.0969 1.4831 0.0000 C 0 0 9.0993 2.6831 0.0000 O 0 0 -2.5942 -2.2092 0.0000 C 0 0 0.0059 -2.2017 0.0000 C 0 0 0.0059 2.2017 0.0000 C 0 0 10.1351 0.8814 0.0000 O 0 5 2 1 1 1 2 7 1 0 2 3 1 0 2 26 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 24 1 6 5 25 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 12 16 1 0 13 14 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 2 0 22 27 1 0 M CHG 1 27 -1 M END > ZINC04632539 > 1 $$$$ SciTegic07110717572D 27 29 0 0 0 0 999 V2000 -2.5942 2.2092 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 2 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 2 0 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 3.6321 -1.3486 0.0000 Br 0 0 3.8948 1.4953 0.0000 C 0 0 5.1937 0.7434 0.0000 N 0 0 6.4948 1.4915 0.0000 O 0 0 3.9000 2.9962 0.0000 C 0 0 5.2015 3.7420 0.0000 C 0 0 5.2066 5.2419 0.0000 C 0 0 3.9101 5.9964 0.0000 C 0 0 2.6085 5.2508 0.0000 C 0 0 2.6034 3.7508 0.0000 C 0 0 3.9121 7.4972 0.0000 C 0 0 2.8741 8.0993 0.0000 O 0 0 -2.5942 -2.2092 0.0000 C 0 0 0.0059 -2.2017 0.0000 C 0 0 0.0059 2.2017 0.0000 C 0 0 4.9524 8.0955 0.0000 O 0 5 2 1 1 1 2 7 1 0 2 3 1 0 2 26 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 24 1 6 5 25 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 13 1 0 10 11 1 0 10 12 1 0 13 14 2 0 13 16 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 2 0 22 27 1 0 M CHG 1 27 -1 M END > ZINC03834066 > 1 $$$$ SciTegic07110717572D 27 29 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9085 -1.5030 0.0000 C 0 0 -5.2119 -0.7590 0.0000 N 0 0 -6.5084 -1.5150 0.0000 O 0 0 -3.9045 -3.0039 0.0000 C 0 0 -5.2015 -3.7576 0.0000 C 0 0 -5.1975 -5.2576 0.0000 C 0 0 -3.8964 -6.0041 0.0000 C 0 0 -2.5994 -5.2506 0.0000 C 0 0 -2.6034 -3.7507 0.0000 C 0 0 -3.8893 -7.5049 0.0000 C 0 0 -2.8477 -8.1007 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -4.9259 -8.1095 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 22 1 0 4 5 1 0 5 6 2 0 5 19 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 17 18 2 0 17 27 1 0 19 20 1 0 19 25 1 1 19 26 1 0 20 21 1 0 21 22 1 0 22 23 1 6 22 24 1 0 M CHG 1 27 -1 M END > ZINC03834061 > 1 $$$$ SciTegic07110717572D 28 30 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9085 -1.5030 0.0000 C 0 0 -5.2119 -0.7590 0.0000 N 0 0 -6.5084 -1.5150 0.0000 O 0 0 -7.8118 -0.7710 0.0000 C 0 0 -3.9045 -3.0039 0.0000 C 0 0 -5.2015 -3.7576 0.0000 C 0 0 -5.1975 -5.2576 0.0000 C 0 0 -3.8964 -6.0041 0.0000 C 0 0 -2.5994 -5.2506 0.0000 C 0 0 -2.6034 -3.7507 0.0000 C 0 0 -3.8893 -7.5049 0.0000 C 0 0 -2.8477 -8.1007 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -4.9259 -8.1095 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 23 1 0 4 5 1 0 5 6 2 0 5 20 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 28 1 0 20 21 1 0 20 26 1 1 20 27 1 0 21 22 1 0 22 23 1 0 23 24 1 6 23 25 1 0 M CHG 1 28 -1 M END > ZINC03834064 > 1 $$$$ SciTegic07110717572D 29 31 0 0 0 0 999 V2000 -7.7086 -2.3402 0.0000 C 0 0 -7.1975 -0.9291 0.0000 C 0 0 -5.7200 -0.6652 0.0000 O 0 0 -5.2089 0.7459 0.0000 N 0 0 -3.9108 1.4991 0.0000 C 0 0 -3.9114 3.0000 0.0000 C 0 0 -5.2129 3.7458 0.0000 C 0 0 -5.2178 5.2458 0.0000 C 0 0 -3.9212 6.0000 0.0000 C 0 0 -2.6197 5.2542 0.0000 C 0 0 -2.6149 3.7542 0.0000 C 0 0 -3.9230 7.5008 0.0000 C 0 0 -2.8848 8.1027 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9106 -1.4992 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -4.9631 8.0993 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 5 14 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 12 13 2 0 12 29 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 24 1 0 16 17 1 0 17 18 2 0 17 21 1 0 18 19 1 0 19 20 1 0 21 22 1 0 21 27 1 1 21 28 1 0 22 23 1 0 23 24 1 0 24 25 1 6 24 26 1 0 M CHG 1 29 -1 M END > ZINC03834068 > 1 $$$$ SciTegic07110717572D 30 32 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9085 -1.5030 0.0000 C 0 0 -5.2119 -0.7590 0.0000 N 0 0 -6.5084 -1.5150 0.0000 O 0 0 -7.8118 -0.7710 0.0000 C 0 0 -9.1084 -1.5270 0.0000 C 0 0 -3.9045 -3.0039 0.0000 C 0 0 -5.2015 -3.7576 0.0000 C 0 0 -5.1975 -5.2576 0.0000 C 0 0 -3.8964 -6.0041 0.0000 C 0 0 -2.5994 -5.2506 0.0000 C 0 0 -2.6034 -3.7507 0.0000 C 0 0 -3.8893 -7.5049 0.0000 C 0 0 -2.8477 -8.1007 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -10.4118 -0.7830 0.0000 N 0 3 -4.9259 -8.1095 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 24 1 0 4 5 1 0 5 6 2 0 5 21 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 29 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 30 1 0 21 22 1 0 21 27 1 1 21 28 1 0 22 23 1 0 23 24 1 0 24 25 1 6 24 26 1 0 M CHG 2 29 1 30 -1 M END > ZINC03834073 > 1 $$$$ SciTegic07110717572D 30 32 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9085 -1.5030 0.0000 C 0 0 -5.2119 -0.7590 0.0000 N 0 0 -6.5084 -1.5150 0.0000 O 0 0 -7.8118 -0.7710 0.0000 C 0 0 -9.1084 -1.5270 0.0000 C 0 0 -10.1450 -2.1315 0.0000 N 0 0 -3.9045 -3.0039 0.0000 C 0 0 -5.2015 -3.7576 0.0000 C 0 0 -5.1975 -5.2576 0.0000 C 0 0 -3.8964 -6.0041 0.0000 C 0 0 -2.5994 -5.2506 0.0000 C 0 0 -2.6034 -3.7507 0.0000 C 0 0 -3.8893 -7.5049 0.0000 C 0 0 -2.8477 -8.1007 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -4.9259 -8.1095 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 25 1 0 4 5 1 0 5 6 2 0 5 22 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 3 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 30 1 0 22 23 1 0 22 28 1 1 22 29 1 0 23 24 1 0 24 25 1 0 25 26 1 6 25 27 1 0 M CHG 1 30 -1 M END > ZINC03834065 > 1 $$$$ SciTegic07110717572D 30 32 0 0 0 0 999 V2000 2.5837 0.7030 0.0000 C 0 0 1.2890 1.4622 0.0000 C 0 0 -0.0162 0.7215 0.0000 C 0 0 -1.3109 1.4807 0.0000 O 0 0 -2.6162 0.7399 0.0000 N 0 0 -3.9108 1.4991 0.0000 C 0 0 -3.9033 2.9999 0.0000 C 0 0 -2.5983 3.7398 0.0000 C 0 0 -2.5866 5.2397 0.0000 C 0 0 -3.8797 5.9999 0.0000 C 0 0 -5.1846 5.2601 0.0000 C 0 0 -5.1963 3.7602 0.0000 C 0 0 -3.8710 7.5007 0.0000 C 0 0 -4.9064 8.1074 0.0000 O 0 0 -5.2139 0.7546 0.0000 C 0 0 -6.5251 1.5093 0.0000 C 0 0 -7.8250 0.7666 0.0000 C 0 0 -7.8319 -0.7306 0.0000 C 0 0 -6.5389 -1.4852 0.0000 C 0 0 -5.2208 -0.7426 0.0000 C 0 0 -3.9247 -1.4992 0.0000 C 0 0 -9.1317 -1.4733 0.0000 C 0 0 1 0 0 0 -10.4247 -0.7187 0.0000 C 0 0 -10.4178 0.7785 0.0000 C 0 0 -9.1180 1.5212 0.0000 C 0 0 1 0 0 0 -10.4146 2.2356 0.0000 C 0 0 -7.8146 2.2240 0.0000 C 0 0 -10.4349 -2.1758 0.0000 C 0 0 -7.8348 -2.1881 0.0000 C 0 0 -2.8282 8.0944 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 15 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 2 0 13 30 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 25 1 0 17 18 1 0 18 19 2 0 18 22 1 0 19 20 1 0 20 21 1 0 22 23 1 0 22 28 1 6 22 29 1 0 23 24 1 0 24 25 1 0 25 26 1 1 25 27 1 0 M CHG 1 30 -1 M END > ZINC03834062 > 1 $$$$ SciTegic07110717572D 31 33 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9085 -1.5030 0.0000 C 0 0 -5.2119 -0.7590 0.0000 N 0 0 -6.5084 -1.5150 0.0000 O 0 0 -7.8118 -0.7710 0.0000 C 0 0 -9.1084 -1.5270 0.0000 C 0 0 -10.1505 -0.9322 0.0000 O 0 0 -3.9045 -3.0039 0.0000 C 0 0 -5.2015 -3.7576 0.0000 C 0 0 -5.1975 -5.2576 0.0000 C 0 0 -3.8964 -6.0041 0.0000 C 0 0 -2.5994 -5.2506 0.0000 C 0 0 -2.6034 -3.7507 0.0000 C 0 0 -3.8893 -7.5049 0.0000 C 0 0 -2.8477 -8.1007 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -9.1028 -2.7270 0.0000 O 0 5 -4.9259 -8.1095 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 25 1 0 4 5 1 0 5 6 2 0 5 22 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 30 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 31 1 0 22 23 1 0 22 28 1 1 22 29 1 0 23 24 1 0 24 25 1 0 25 26 1 6 25 27 1 0 M CHG 2 30 -1 31 -1 M END > ZINC03834074 > 1 $$$$ SciTegic07110717572D 31 33 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9085 -1.5030 0.0000 C 0 0 -5.2119 -0.7590 0.0000 N 0 0 -5.2202 0.7418 0.0000 O 0 0 -6.1906 1.8867 0.0000 C 0 0 1 0 0 0 -7.6675 1.6197 0.0000 C 0 0 -6.7099 0.4476 0.0000 C 0 0 -5.6838 3.2993 0.0000 C 0 0 -3.9045 -3.0039 0.0000 C 0 0 -5.2015 -3.7576 0.0000 C 0 0 -5.1975 -5.2576 0.0000 C 0 0 -3.8964 -6.0041 0.0000 C 0 0 -2.5994 -5.2506 0.0000 C 0 0 -2.6034 -3.7507 0.0000 C 0 0 -3.8893 -7.5049 0.0000 C 0 0 -2.8477 -8.1007 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -4.9259 -8.1095 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 26 1 0 4 5 1 0 5 6 2 0 5 23 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 11 10 1 6 11 12 1 0 11 13 1 0 11 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 31 1 0 23 24 1 0 23 29 1 1 23 30 1 0 24 25 1 0 25 26 1 0 26 27 1 6 26 28 1 0 M CHG 1 31 -1 M END > ZINC04632538 > 1 $$$$ SciTegic07110717572D 27 28 0 0 0 0 999 V2000 -7.8002 5.2594 0.0000 C 0 0 -6.5006 6.0101 0.0000 C 0 0 -6.4983 7.5109 0.0000 C 0 0 -7.7964 8.2641 0.0000 C 0 0 -7.7945 9.4641 0.0000 O 0 0 -5.2025 5.2568 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -5.2118 0.7566 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -8.8367 7.6661 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 6 1 0 3 4 1 0 4 5 2 0 4 27 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 22 1 0 13 14 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 20 1 0 19 25 1 1 19 26 1 0 20 21 1 0 21 22 1 0 22 23 1 6 22 24 1 0 M CHG 1 27 -1 M END > ZINC04147417 > 2 $$$$ SciTegic07110717572D 28 29 0 0 0 0 999 V2000 -5.2049 3.7560 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2025 -5.2568 0.0000 C 0 0 -6.5006 -6.0101 0.0000 C 0 0 -6.4983 -7.5109 0.0000 C 0 0 -7.7964 -8.2641 0.0000 C 0 0 -7.7945 -9.4641 0.0000 O 0 0 -7.8033 -5.2648 0.0000 C 0 0 -5.2118 -0.7566 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -8.8367 -7.6661 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 23 1 0 6 7 1 0 7 8 2 0 7 20 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 19 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 18 1 0 15 16 1 0 16 17 2 0 16 28 1 0 20 21 1 0 20 26 1 1 20 27 1 0 21 22 1 0 22 23 1 0 23 24 1 6 23 25 1 0 M CHG 1 28 -1 M END > ZINC04147418 > 2 $$$$ SciTegic07110717572D 31 34 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -5.2110 -0.7553 0.0000 N 0 0 -6.5090 -1.5087 0.0000 O 0 0 -7.8110 -0.7621 0.0000 C 0 0 -9.1090 -1.5156 0.0000 C 0 0 2 0 0 0 -8.3575 -2.6806 0.0000 C 0 0 -9.8575 -2.6825 0.0000 C 0 0 -3.9051 -3.0027 0.0000 C 0 0 -2.6032 -3.7477 0.0000 C 0 0 -2.5973 -5.2476 0.0000 C 0 0 -3.8933 -6.0028 0.0000 C 0 0 -5.1953 -5.2579 0.0000 C 0 0 -5.2012 -3.7579 0.0000 C 0 0 -3.8905 -7.5036 0.0000 C 0 0 -4.9282 -8.1062 0.0000 O 0 0 1.2964 -1.4973 0.0000 C 0 0 1 0 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1 0 0 0 2.5964 2.2057 0.0000 C 0 0 -0.0037 2.2060 0.0000 C 0 0 2.5964 -2.2057 0.0000 C 0 0 -0.0037 -2.2060 0.0000 C 0 0 -2.8499 -8.1013 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 26 1 0 4 5 1 0 5 6 2 0 5 23 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 15 1 0 9 10 1 0 10 11 1 0 12 11 1 6 12 14 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 31 1 0 23 24 1 0 23 29 1 1 23 30 1 0 24 25 1 0 25 26 1 0 26 27 1 6 26 28 1 0 M CHG 1 31 -1 M END > ZINC03834067 > 3 $$$$