SciTegic07110717562D 16 17 0 0 0 0 999 V2000 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 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 5.1925 3.0071 0.0000 C 0 0 6.4915 3.7571 0.0000 C 0 0 6.4914 5.2571 0.0000 C 0 0 5.1924 6.0071 0.0000 C 0 0 3.8933 5.2571 0.0000 C 0 0 7.7896 6.0103 0.0000 O 0 0 -2.6003 -1.4978 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 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 M END > ZINC01510316 > 1 $$$$ SciTegic07110717562D 18 19 0 0 0 0 999 V2000 1.2925 -3.7494 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8999 -0.7576 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 7.7897 -6.0102 0.0000 O 0 0 1 2 1 0 2 3 2 0 2 12 1 0 3 4 1 0 3 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 M END > ZINC04150452 > 1 $$$$ SciTegic07110717562D 20 21 0 0 0 0 999 V2000 1.6342 -2.3730 0.0000 C 0 0 2.9337 -1.6222 0.0000 C 0 0 2.9341 -0.1214 0.0000 C 0 0 1 0 0 0 1.6344 0.6290 0.0000 C 0 0 0.1572 0.3685 0.0000 C 0 0 -0.8070 1.5176 0.0000 C 0 0 -0.2940 2.9271 0.0000 C 0 0 1.1832 3.1876 0.0000 C 0 0 2.1474 2.0385 0.0000 C 0 0 -1.2563 4.0788 0.0000 O 0 0 4.4123 0.1383 0.0000 C 0 0 2 0 0 0 3.4309 1.3120 0.0000 C 0 0 3.9458 2.7217 0.0000 C 0 0 5.3770 -1.0114 0.0000 C 0 0 6.6761 -0.2614 0.0000 C 0 0 7.9751 -1.0114 0.0000 C 0 0 7.9751 -2.5114 0.0000 C 0 0 6.6761 -3.2614 0.0000 C 0 0 5.3770 -2.5114 0.0000 C 0 0 9.2733 -3.2645 0.0000 O 0 0 1 2 1 0 3 2 1 1 3 4 1 0 3 11 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 11 12 1 6 11 14 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 M END > ZINC00056548 > 1 $$$$ SciTegic07110717562D 20 21 0 0 0 0 999 V2000 1.6342 -2.3730 0.0000 C 0 0 2.9337 -1.6222 0.0000 C 0 0 2.9341 -0.1214 0.0000 C 0 0 1 0 0 0 1.6344 0.6290 0.0000 C 0 0 0.1572 0.3685 0.0000 C 0 0 -0.8070 1.5176 0.0000 C 0 0 -0.2940 2.9271 0.0000 C 0 0 1.1832 3.1876 0.0000 C 0 0 2.1474 2.0385 0.0000 C 0 0 -1.2563 4.0788 0.0000 O 0 0 4.4123 0.1383 0.0000 C 0 0 1 0 0 0 3.4309 1.3120 0.0000 C 0 0 3.9458 2.7217 0.0000 C 0 0 5.3770 -1.0114 0.0000 C 0 0 6.6761 -0.2614 0.0000 C 0 0 7.9751 -1.0114 0.0000 C 0 0 7.9751 -2.5114 0.0000 C 0 0 6.6761 -3.2614 0.0000 C 0 0 5.3770 -2.5114 0.0000 C 0 0 9.2733 -3.2645 0.0000 O 0 0 1 2 1 0 3 2 1 1 3 4 1 0 3 11 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 11 12 1 1 11 14 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 M END > ZINC00056546 > 1 $$$$ SciTegic07110717562D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 -2.5973 1.5031 0.0000 O 0 0 -2.6003 -1.4978 0.0000 C 0 0 -2.6024 -2.6978 0.0000 O 0 0 -3.8990 -0.7455 0.0000 C 0 0 -3.8969 0.4545 0.0000 O 0 0 -5.2003 -1.4932 0.0000 C 0 0 -5.2004 -2.9933 0.0000 C 0 0 -6.4995 -3.7433 0.0000 C 0 0 -7.7985 -2.9932 0.0000 C 0 0 -7.7985 -1.4932 0.0000 C 0 0 -6.4994 -0.7433 0.0000 C 0 0 -6.5025 0.7576 0.0000 O 0 0 -9.0998 -3.7410 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 9 10 2 0 9 11 1 0 11 12 2 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 20 1 0 17 18 1 0 18 19 1 0 M END > ZINC01587804 > 1 $$$$ SciTegic07110717562D 20 21 0 0 0 0 999 V2000 5.1972 -1.5121 0.0000 C 0 0 3.8999 -0.7576 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2.5889 -3.0039 0.0000 C 0 0 1.2843 -3.7440 0.0000 C 0 0 1.2729 -5.2440 0.0000 C 0 0 2.5662 -6.0038 0.0000 C 0 0 3.8709 -5.2637 0.0000 C 0 0 3.8823 -3.7637 0.0000 C 0 0 2.5578 -7.5046 0.0000 O 0 0 1.3022 -0.7447 0.0000 C 0 0 -0.0004 -1.4901 0.0000 C 0 0 -1.2978 -0.7356 0.0000 C 0 0 1.3105 0.7561 0.0000 C 0 0 2.6152 1.4964 0.0000 C 0 0 2.6265 2.9963 0.0000 C 0 0 1.3332 3.7561 0.0000 C 0 0 0.0285 3.0160 0.0000 C 0 0 0.0172 1.5160 0.0000 C 0 0 1.3415 5.2570 0.0000 O 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 11 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 11 12 2 0 11 14 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 M END > ZINC03872293 > 1 $$$$ SciTegic07110717562D 20 21 0 0 0 0 999 V2000 -0.0180 -7.4979 0.0000 C 0 0 -0.0114 -5.9971 0.0000 C 0 0 1.2912 -5.2516 0.0000 C 0 0 1.2934 -3.7508 0.0000 C 0 0 2.5960 -3.0053 0.0000 C 0 0 2.6026 -1.5045 0.0000 C 0 0 -0.0049 -2.9977 0.0000 C 0 0 0.0013 -1.4977 0.0000 C 0 0 -1.2946 -0.7424 0.0000 C 0 0 -2.5967 -1.4870 0.0000 C 0 0 -2.6029 -2.9870 0.0000 C 0 0 -1.3070 -3.7424 0.0000 C 0 0 -3.8950 -0.7340 0.0000 O 0 0 2.5894 -6.0047 0.0000 C 0 0 2.5833 -7.5048 0.0000 C 0 0 3.8793 -8.2601 0.0000 C 0 0 5.1814 -7.5154 0.0000 C 0 0 5.1875 -6.0154 0.0000 C 0 0 3.8916 -5.2601 0.0000 C 0 0 6.4796 -8.2685 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 14 1 0 4 5 1 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 M END > ZINC03861549 > 1 $$$$ SciTegic07110717562D 21 22 0 0 0 0 999 V2000 -0.0180 -7.4979 0.0000 C 0 0 -0.0114 -5.9971 0.0000 C 0 0 1.2912 -5.2516 0.0000 C 0 0 1.2934 -3.7508 0.0000 C 0 0 2.5960 -3.0053 0.0000 C 0 0 2.6026 -1.5045 0.0000 C 0 0 -0.0049 -2.9977 0.0000 C 0 0 0.0013 -1.4977 0.0000 C 0 0 -1.2946 -0.7424 0.0000 C 0 0 -2.5967 -1.4870 0.0000 C 0 0 -2.6029 -2.9870 0.0000 C 0 0 -1.3070 -3.7424 0.0000 C 0 0 -3.8950 -0.7340 0.0000 O 0 0 -5.1967 -1.4809 0.0000 C 0 0 2.5894 -6.0047 0.0000 C 0 0 2.5833 -7.5048 0.0000 C 0 0 3.8793 -8.2601 0.0000 C 0 0 5.1814 -7.5154 0.0000 C 0 0 5.1875 -6.0154 0.0000 C 0 0 3.8916 -5.2601 0.0000 C 0 0 6.4796 -8.2685 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 15 1 0 4 5 1 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 M END > ZINC01747889 > 1 $$$$ SciTegic07110717562D 21 22 0 0 0 0 999 V2000 1.2988 -3.7520 0.0000 C 0 0 2.5983 -3.0012 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 O 0 0 3.8990 -0.7508 0.0000 C 0 0 2 0 0 0 2.9176 0.4229 0.0000 C 0 0 3.4325 1.8326 0.0000 C 0 0 5.1988 -1.5012 0.0000 C 0 0 6.4978 -0.7512 0.0000 C 0 0 7.7969 -1.5012 0.0000 C 0 0 7.7969 -3.0012 0.0000 C 0 0 6.4978 -3.7512 0.0000 C 0 0 5.1988 -3.0012 0.0000 C 0 0 9.0951 -3.7543 0.0000 O 0 0 9.0929 -5.2551 0.0000 C 0 0 1 2 1 0 3 2 1 1 3 4 1 0 3 11 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 11 12 1 6 11 14 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 1 0 M END > ZINC01566834 > 1 $$$$ SciTegic07110717562D 22 23 0 0 0 0 999 V2000 1.6342 -2.3730 0.0000 C 0 0 2.9337 -1.6222 0.0000 C 0 0 2.9341 -0.1214 0.0000 C 0 0 2 0 0 0 1.6344 0.6290 0.0000 C 0 0 0.1572 0.3685 0.0000 C 0 0 -0.8070 1.5176 0.0000 C 0 0 -0.2940 2.9271 0.0000 C 0 0 1.1832 3.1876 0.0000 C 0 0 2.1474 2.0385 0.0000 C 0 0 1.6994 4.5969 0.0000 O 0 0 -1.2563 4.0788 0.0000 O 0 0 4.4123 0.1383 0.0000 C 0 0 1 0 0 0 3.4309 1.3120 0.0000 C 0 0 3.9458 2.7217 0.0000 C 0 0 5.3770 -1.0114 0.0000 C 0 0 6.6761 -0.2614 0.0000 C 0 0 7.9751 -1.0114 0.0000 C 0 0 7.9751 -2.5114 0.0000 C 0 0 6.6761 -3.2614 0.0000 C 0 0 5.3770 -2.5114 0.0000 C 0 0 6.6730 -4.7623 0.0000 O 0 0 9.2733 -3.2645 0.0000 O 0 0 1 2 1 0 3 2 1 6 3 4 1 0 3 12 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 8 10 1 0 12 13 1 1 12 15 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 22 1 0 19 20 1 0 19 21 1 0 M END > ZINC01668370 > 1 $$$$ SciTegic07110717562D 17 18 0 0 0 0 999 V2000 4.1926 -2.4215 0.0000 C 0 0 3.2283 -1.2715 0.0000 C 0 0 1 0 0 0 2.7012 -2.7078 0.0000 C 0 0 1.7503 -1.5321 0.0000 C 0 0 0.7861 -2.6812 0.0000 C 0 0 -0.6911 -2.4207 0.0000 C 0 0 -1.2042 -1.0112 0.0000 C 0 0 -0.2400 0.1379 0.0000 C 0 0 1.2372 -0.1226 0.0000 C 0 0 -2.6816 -0.7475 0.0000 O 0 0 3.7425 0.1385 0.0000 C 0 0 3.2304 1.5483 0.0000 C 0 0 4.1953 2.6968 0.0000 C 0 0 5.6723 2.4354 0.0000 C 0 0 6.1845 1.0255 0.0000 C 0 0 5.2196 -0.1229 0.0000 C 0 0 6.6401 3.5825 0.0000 O 0 0 1 2 1 0 2 3 1 0 2 4 1 1 2 11 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 M END > ZINC00056434 > 2 $$$$ SciTegic07110717562D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 3.8999 0.7576 0.0000 C 0 0 4.9372 1.3609 0.0000 Cl 0 0 3.9040 -0.4424 0.0000 Cl 0 0 2.5951 3.0039 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 2.5826 7.5048 0.0000 O 0 0 -2.6003 -1.4978 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 8 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 M END > ZINC00508310 > 2 $$$$ SciTegic07110717562D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 C 0 0 2 0 0 0 3.8990 0.7508 0.0000 C 0 0 5.1976 1.5017 0.0000 C 0 0 6.4971 0.7525 0.0000 C 0 0 6.4981 -0.7475 0.0000 C 0 0 5.1995 -1.4983 0.0000 C 0 0 3.9000 -0.7492 0.0000 C 0 0 7.7968 -1.4997 0.0000 O 0 0 2.5983 3.0012 0.0000 C 0 0 1 0 0 0 3.6370 3.6022 0.0000 Cl 0 0 1.5587 3.6005 0.0000 Cl 0 0 2.5973 4.2012 0.0000 Cl 0 0 -2.6003 -1.4978 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 5 6 1 0 7 6 1 1 7 8 1 0 7 15 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 14 1 0 12 13 1 0 15 16 1 6 15 17 1 0 15 18 1 0 M END > ZINC00283101 > 2 $$$$ SciTegic07110717562D 19 20 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.8999 0.7576 0.0000 C 0 0 -4.9372 1.3609 0.0000 Cl 0 0 -3.9040 -0.4424 0.0000 Cl 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 -2.5827 7.5048 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 9 13 1 0 10 11 1 0 10 12 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 M END > ZINC03815429 > 2 $$$$ SciTegic07110717562D 20 21 0 0 0 0 999 V2000 -1.5692 7.5969 0.0000 C 0 0 -0.6043 6.4473 0.0000 O 0 0 -1.1165 5.0366 0.0000 C 0 0 -2.5941 4.7780 0.0000 C 0 0 -3.1089 3.3691 0.0000 C 0 0 -2.1462 2.2188 0.0000 C 0 0 -0.6686 2.4774 0.0000 C 0 0 -0.1538 3.8863 0.0000 C 0 0 -3.1123 1.0703 0.0000 C 0 0 1 0 0 0 -4.5902 1.3319 0.0000 C 0 0 -5.5536 2.4816 0.0000 C 0 0 -7.0310 2.2220 0.0000 C 0 0 -7.5449 0.8128 0.0000 C 0 0 -6.5815 -0.3369 0.0000 C 0 0 -5.1041 -0.0773 0.0000 C 0 0 -9.0226 0.5501 0.0000 O 0 0 -1.6062 0.8011 0.0000 C 0 0 1 0 0 0 -1.1978 -0.3273 0.0000 Cl 0 0 -0.4249 0.5905 0.0000 Cl 0 0 -0.8330 1.7188 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 9 6 1 6 7 8 1 0 9 10 1 0 9 17 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 17 18 1 1 17 19 1 0 17 20 1 0 M END > ZINC03815428 > 2 $$$$ SciTegic07110717562D 21 22 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 C 0 0 2 0 0 0 -3.8990 0.7508 0.0000 C 0 0 -5.1976 1.5016 0.0000 C 0 0 -6.4971 0.7524 0.0000 C 0 0 -6.4980 -0.7476 0.0000 C 0 0 -5.1995 -1.4984 0.0000 C 0 0 -3.9000 -0.7492 0.0000 C 0 0 -7.7967 -1.4998 0.0000 O 0 0 -7.7955 -3.0006 0.0000 C 0 0 -2.5983 3.0012 0.0000 C 0 0 1 0 0 0 -3.6370 3.6021 0.0000 Cl 0 0 -1.5587 3.6005 0.0000 Cl 0 0 -2.5974 4.2012 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 9 6 1 6 7 8 1 0 9 10 1 0 9 18 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 16 17 1 0 18 19 1 1 18 20 1 0 18 21 1 0 M END > ZINC00155246 > 2 $$$$ SciTegic07110717562D 18 20 0 0 0 0 999 V2000 -3.8473 -1.5173 0.0000 C 0 0 -5.1308 -2.2936 0.0000 C 0 0 -6.4449 -1.5702 0.0000 C 0 0 -6.4754 -0.0705 0.0000 C 0 0 -5.1919 0.7058 0.0000 C 0 0 -3.8779 -0.0176 0.0000 C 0 0 -2.9496 1.1357 0.0000 C 0 0 1 0 0 0 -1.9702 2.2888 0.0000 C 0 0 -0.4959 2.0288 0.0000 C 0 0 0.4663 3.1756 0.0000 C 0 0 1.9406 2.9156 0.0000 C 0 0 2.4527 1.5086 0.0000 C 0 0 1.4905 0.3617 0.0000 C 0 0 0.0162 0.6218 0.0000 C 0 0 -0.9460 -0.5251 0.0000 O 0 0 -2.4375 -0.2713 0.0000 C 0 0 3.9302 1.2449 0.0000 O 0 0 -7.7307 -2.3443 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 7 6 1 1 7 16 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 M END > ZINC00388660 > 3 $$$$ SciTegic07110717562D 19 21 0 0 0 0 999 V2000 -5.2125 0.7617 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 3.8942 -1.4964 0.0000 O 0 0 -7.7897 3.7820 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 17 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 18 1 0 14 15 2 0 15 16 1 0 16 17 1 0 M END > ZINC00057656 > 3 $$$$ SciTegic07110717562D 19 21 0 0 0 0 999 V2000 -5.2125 0.7617 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 3.8942 -1.4964 0.0000 O 0 0 -7.7897 3.7820 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 16 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 18 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 M END > ZINC00047551 > 3 $$$$ SciTegic07110717562D 20 22 0 0 0 0 999 V2000 -5.2125 0.7617 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 3.8942 -1.4964 0.0000 O 0 0 -3.9091 -1.5019 0.0000 O 0 0 -7.7897 3.7820 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 17 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 18 1 0 14 15 2 0 15 16 1 0 16 17 1 0 M END > ZINC00039316 > 3 $$$$ SciTegic07110717562D 20 22 0 0 0 0 999 V2000 -5.2125 0.7617 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2995 2.9981 0.0000 O 0 0 3.8942 -1.4964 0.0000 O 0 0 -7.7897 3.7820 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 20 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 16 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 1 0 16 17 2 0 M END > ZINC00041692 > 3 $$$$ SciTegic07110717562D 20 22 0 0 0 0 999 V2000 -9.0965 3.0331 0.0000 C 0 0 -7.7928 3.7767 0.0000 O 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 O 0 0 3.8942 -1.4964 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 18 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 20 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 M END > ZINC00113304 > 3 $$$$ SciTegic07110717562D 22 24 0 0 0 0 999 V2000 -0.0028 3.7494 0.0000 C 0 0 1.2964 2.9981 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 7.7886 3.7527 0.0000 O 0 0 9.0885 3.0024 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 13 2 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 22 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 1 0 M END > ZINC01631270 > 3 $$$$ SciTegic07110717562D 19 22 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 3.3032 2.5367 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 4.5625 0.3285 0.0000 C 0 0 2.0440 0.3467 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -0.4562 1.7885 0.0000 C 0 0 0.8030 2.5185 0.0000 C 0 0 -5.4839 -2.5865 0.0000 O 0 0 2 1 1 1 2 6 1 0 2 18 1 0 2 3 1 0 3 4 1 0 4 5 1 0 6 5 1 1 6 7 1 0 7 16 1 0 7 8 1 1 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 6 17 18 1 0 M END > ZINC03815427 > 4 $$$$ SciTegic07110717562D 19 22 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 1 M END > ZINC03814416 > 4 $$$$ SciTegic07110717562D 20 23 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 20 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 1 M END > ZINC03814364 > 4 $$$$ SciTegic07110717562D 20 23 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.2209 -2.4390 0.0000 O 0 0 -4.1792 -0.4015 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 2 0 0 0 2 1 1 1 2 7 1 0 2 10 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 20 1 0 5 6 1 0 6 7 1 0 6 12 1 6 7 8 1 1 8 9 1 0 9 10 1 0 10 11 1 1 12 13 1 0 13 14 1 0 14 20 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 20 19 1 6 M END > ZINC03814379 > 4 $$$$ SciTegic07110717562D 20 23 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 4.5993 3.2532 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 6 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 20 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 1 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 6 M END > ZINC01070102 > 4 $$$$ SciTegic07110717562D 20 23 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 4.5993 3.2532 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 20 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 6 M END > ZINC03815415 > 4 $$$$ SciTegic07110717562D 20 23 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 3.2968 3.7367 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 20 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 2 0 M END > ZINC03815416 > 4 $$$$ SciTegic07110717562D 20 23 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 5.6022 2.4058 0.0000 O 0 0 3.3032 2.5367 0.0000 C 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 19 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 20 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 2 0 17 19 1 0 M END > ZINC03815431 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 -1.6912 1.1172 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 1 0 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.2209 -2.4390 0.0000 O 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 1 0 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -0.4562 1.7885 0.0000 C 0 0 0.8030 2.5185 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 1 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 2.0418 3.2897 0.0000 C 0 0 2 1 1 6 2 8 1 0 2 12 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 8 7 1 6 8 9 1 0 9 10 1 0 11 10 1 6 11 16 1 0 11 12 1 0 12 13 1 1 13 14 1 0 14 15 1 0 15 19 1 0 15 16 1 0 15 21 1 6 16 17 1 1 17 18 1 0 18 19 1 0 19 20 1 1 M END > ZINC03814361 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 -2.9448 -4.0743 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 10 20 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 1 M END > ZINC03814410 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 -1.6912 1.1172 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 2 0 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 1 0 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 2 0 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -0.4562 1.7885 0.0000 C 0 0 0.8030 2.5185 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 1 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 2.0418 3.2897 0.0000 C 0 0 -5.4390 -1.0663 0.0000 O 0 0 2 1 1 1 2 7 1 0 2 11 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 21 1 1 7 6 1 1 7 8 1 0 8 9 1 0 10 9 1 6 10 15 1 0 10 11 1 0 11 12 1 1 12 13 1 0 13 14 1 0 14 18 1 0 14 15 1 0 14 20 1 1 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 1 M END > ZINC03814412 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 -1.7438 1.0691 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 -0.4562 1.7885 0.0000 C 0 0 0.8030 2.5185 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -5.4808 -2.5919 0.0000 O 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 4.5993 3.2532 0.0000 O 0 0 2.0418 3.2897 0.0000 C 0 0 2 1 1 1 2 7 1 0 2 11 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 19 1 0 5 6 1 0 5 21 1 6 6 7 1 0 6 17 1 6 7 8 1 6 8 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 18 1 0 18 19 1 0 19 20 1 6 M END > ZINC03815439 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 3.2968 3.7367 0.0000 O 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 2 0 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 1 0 0 0 -2.9382 -2.5732 0.0000 C 0 0 -5.4390 -1.0663 0.0000 O 0 0 -2.9731 -1.1442 0.0000 C 0 0 2 1 1 1 2 7 1 0 2 10 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 15 1 0 5 6 1 0 6 7 1 0 6 12 1 6 7 8 1 1 8 9 1 0 9 10 1 0 10 11 2 0 12 13 1 0 13 14 2 0 14 19 1 0 14 15 1 0 15 16 1 0 15 21 1 1 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 1 M END > ZINC03807917 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 2 0 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 5.8252 1.0340 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 17 20 1 6 18 19 1 1 M END > ZINC03815418 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 -5.4787 0.3510 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 21 1 0 9 10 2 0 9 20 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 1 M END > ZINC03815419 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 2 0 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 1 0 0 0 -2.9382 -2.5732 0.0000 C 0 0 -5.4390 -1.0663 0.0000 O 0 0 -2.9731 -1.1442 0.0000 C 0 0 2 1 1 6 2 7 1 0 2 10 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 15 1 0 5 6 1 0 6 7 1 0 6 12 1 6 7 8 1 1 8 9 1 0 9 10 1 0 10 11 1 1 12 13 1 0 13 14 2 0 14 19 1 0 14 15 1 0 15 16 1 0 15 21 1 1 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 1 M END > ZINC03815421 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 0.8078 -3.2869 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 1 0 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 0.7456 1.0365 0.0000 C 0 0 4.5993 3.2532 0.0000 O 0 0 -5.4839 -2.5865 0.0000 O 0 0 2 1 1 1 11 2 1 6 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 21 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 18 1 6 10 11 1 0 11 12 1 0 12 16 1 0 12 13 1 1 13 14 1 0 14 15 1 0 15 16 1 0 15 20 1 6 16 17 1 0 16 19 1 6 17 18 1 0 M END > ZINC03815438 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 -5.4771 0.3536 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.4808 -2.5919 0.0000 O 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 -0.4562 1.7885 0.0000 C 0 0 0.8030 2.5185 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 1 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 2.0418 3.2897 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 12 1 0 4 5 1 0 5 6 2 0 5 9 1 0 6 7 1 0 7 8 1 0 9 10 1 0 11 10 1 6 11 16 1 0 11 12 1 0 12 13 1 6 13 14 1 0 14 15 1 0 15 19 1 0 15 16 1 0 15 21 1 6 16 17 1 1 17 18 1 0 18 19 1 0 19 20 1 1 M END > ZINC03815437 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 2 0 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 4.5993 3.2532 0.0000 O 0 0 5.8252 1.0340 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 6 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 1 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 17 20 1 6 18 19 1 6 M END > ZINC00585979 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 4.2761 3.6533 0.0000 C 0 0 5.7556 3.4012 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 6 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 6 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 1 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 6 19 20 1 0 M END > ZINC03815435 > 4 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 2 0 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5993 3.2532 0.0000 O 0 0 -1.7135 -3.2761 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 20 1 6 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 1 M END > ZINC03815432 > 4 $$$$ SciTegic07110717562D 22 25 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 2.0003 3.2404 0.0000 C 0 0 0.6973 3.9850 0.0000 C 0 0 4.5987 3.2547 0.0000 O 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.2209 -2.4390 0.0000 O 0 0 -4.1792 -0.4015 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 2 0 0 0 2 1 1 1 2 7 1 0 2 10 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 22 1 0 5 6 1 0 6 7 1 0 6 14 1 6 7 8 1 1 8 9 1 0 9 10 1 0 10 11 1 6 10 13 1 0 11 12 3 0 14 15 1 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 22 21 1 6 M END > ZINC03814415 > 4 $$$$ SciTegic07110717562D 22 25 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 2.0003 3.2404 0.0000 C 0 0 0.6973 3.9850 0.0000 C 0 0 4.5987 3.2547 0.0000 O 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.2209 -2.4390 0.0000 O 0 0 -2.9382 -2.5732 0.0000 C 0 0 2 1 1 1 2 7 1 0 2 10 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 17 1 0 5 6 1 0 6 7 1 0 6 14 1 6 7 8 1 1 8 9 1 0 9 10 1 0 10 11 1 6 10 13 1 0 11 12 3 0 14 15 1 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M END > ZINC03814419 > 4 $$$$ SciTegic07110717562D 22 25 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 2.0003 3.2404 0.0000 C 0 0 0.6973 3.9850 0.0000 C 0 0 4.5987 3.2547 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 6 18 21 1 0 19 20 3 0 M END > ZINC03812897 > 4 $$$$ SciTegic07110717562D 22 25 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 2 0 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 1 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 4.5993 3.2532 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 -0.9389 3.1884 0.0000 C 0 0 -0.1746 4.1135 0.0000 Cl 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 21 1 6 5 14 1 0 5 6 1 1 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 20 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 1 14 15 1 0 15 16 1 6 16 17 1 0 17 18 1 0 18 19 1 6 21 22 1 0 M END > ZINC03815449 > 4 $$$$ SciTegic07110717562D 22 25 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 2.0003 3.2404 0.0000 C 0 0 0.6973 3.9850 0.0000 C 0 0 4.5987 3.2547 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 6 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 1 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 6 18 21 1 0 19 20 3 0 M END > ZINC01686128 > 4 $$$$ SciTegic07110717562D 22 25 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 2.0003 3.2404 0.0000 C 0 0 0.6973 3.9850 0.0000 C 0 0 4.5987 3.2547 0.0000 O 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.2209 -2.4390 0.0000 O 0 0 -2.9382 -2.5732 0.0000 C 0 0 2 1 1 6 2 7 1 0 2 10 1 0 2 3 1 0 3 4 1 0 5 4 1 6 5 17 1 0 5 6 1 0 6 7 1 0 6 14 1 6 7 8 1 1 8 9 1 0 9 10 1 0 10 11 1 6 10 13 1 0 11 12 3 0 14 15 1 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M END > ZINC02106113 > 4 $$$$ SciTegic07110717562D 23 26 0 0 0 0 999 V2000 -0.4947 3.2317 0.0000 C 0 0 0.8030 2.5185 0.0000 C 0 0 2 0 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 3.3032 2.5367 0.0000 C 0 0 2 0 0 0 4.5625 1.8067 0.0000 C 0 0 4.5625 0.3285 0.0000 C 0 0 2.0003 3.2404 0.0000 C 0 0 0.6973 3.9850 0.0000 C 0 0 4.5987 3.2547 0.0000 O 0 0 0.7456 1.0365 0.0000 C 0 0 -5.4808 -2.5919 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 3 1 0 4 3 1 1 4 13 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 23 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 12 1 1 13 14 1 0 14 18 1 6 14 15 1 0 15 16 1 0 15 22 1 1 16 17 1 0 16 19 1 1 16 21 1 0 17 18 1 0 19 20 3 0 M END > ZINC03815440 > 4 $$$$ SciTegic07110717562D 23 26 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 2.0003 3.2404 0.0000 C 0 0 0.6973 3.9850 0.0000 C 0 0 4.5987 3.2547 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 -5.4842 -4.0927 0.0000 C 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 6 18 21 1 0 19 20 3 0 22 23 1 0 M END > ZINC03815424 > 4 $$$$ SciTegic07110717562D 23 26 0 0 0 0 999 V2000 5.7556 3.4012 0.0000 C 0 0 4.2761 3.6533 0.0000 C 0 0 3.8595 4.7786 0.0000 O 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 4.5625 1.8067 0.0000 C 0 0 4.5625 0.3285 0.0000 C 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 -0.4380 0.3285 0.0000 C 0 0 1 0 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 0.8212 -1.8067 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -5.2209 -2.4390 0.0000 O 0 0 -4.1792 -0.4015 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -1.6790 -0.3832 0.0000 C 0 0 2 0 0 0 -2.9731 -1.1442 0.0000 C 0 0 3.3451 1.0404 0.0000 C 0 0 1 2 1 0 2 3 2 0 4 2 1 1 4 8 1 0 4 5 1 0 5 6 1 0 7 6 1 1 7 12 1 0 7 8 1 0 8 9 1 0 8 23 1 1 9 10 1 0 11 10 1 1 11 21 1 0 11 12 1 0 12 13 1 6 13 14 1 0 14 15 1 0 15 21 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 1 M END > ZINC03814383 > 4 $$$$ SciTegic07110717562D 24 27 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 2 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 1 0 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 1 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 2.0003 3.2404 0.0000 C 0 0 0.6973 3.9850 0.0000 C 0 0 4.5987 3.2547 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 -0.9389 3.1884 0.0000 O 0 0 -2.4048 3.5103 0.0000 C 0 0 2 1 1 1 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 23 1 1 5 14 1 0 5 6 1 1 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 6 18 21 1 0 19 20 3 0 23 24 1 0 M END > ZINC03815417 > 4 $$$$ SciTegic07110717562D 24 27 0 0 0 0 999 V2000 2.0418 3.2897 0.0000 C 0 0 2.0440 1.7885 0.0000 C 0 0 1 0 0 0 0.8030 2.5185 0.0000 C 0 0 -0.4562 1.7885 0.0000 C 0 0 1 0 0 0 -0.4380 0.3285 0.0000 C 0 0 2 0 0 0 -1.6790 -0.3832 0.0000 C 0 0 -2.9565 0.3102 0.0000 C 0 0 -4.1792 -0.4015 0.0000 C 0 0 -4.1792 -1.8432 0.0000 C 0 0 -2.9382 -2.5732 0.0000 C 0 0 -1.6790 -1.8250 0.0000 C 0 0 -0.4197 -2.5550 0.0000 C 0 0 0.8212 -1.8067 0.0000 C 0 0 0.8030 -0.3650 0.0000 C 0 0 2 0 0 0 2.0440 0.3467 0.0000 C 0 0 2 0 0 0 4.5625 0.3285 0.0000 C 0 0 4.5625 1.8067 0.0000 C 0 0 3.3032 2.5367 0.0000 C 0 0 1 0 0 0 2.0003 3.2404 0.0000 C 0 0 0.6973 3.9850 0.0000 C 0 0 4.5987 3.2547 0.0000 O 0 0 -5.4808 -2.5919 0.0000 O 0 0 -0.9389 3.1884 0.0000 O 0 0 -2.4048 3.5103 0.0000 C 0 0 2 1 1 6 2 15 1 0 2 18 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 23 1 1 5 14 1 0 5 6 1 1 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 1 14 15 1 0 15 16 1 1 16 17 1 0 17 18 1 0 18 19 1 6 18 21 1 0 19 20 3 0 23 24 1 0 M END > ZINC01999257 > 4 $$$$ SciTegic07110717562D 19 21 0 0 0 0 999 V2000 1.1757 3.7449 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 8.5721 0.3971 0.0000 O 0 0 -3.6187 -1.4919 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 11 2 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 19 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 M END > ZINC03815446 > 5 $$$$ SciTegic07110717562D 20 22 0 0 0 0 999 V2000 1.1757 3.7449 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 8.5721 0.3971 0.0000 O 0 0 2.1825 -2.6263 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 11 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 20 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 19 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 M END > ZINC03815444 > 5 $$$$ SciTegic07110717562D 21 23 0 0 0 0 999 V2000 6.4199 1.1671 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 4.7453 -1.3220 0.0000 C 0 0 6.2418 -1.4248 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 8.5761 -0.2862 0.0000 O 0 0 4.0739 -2.3166 0.0000 Cl 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1825 -2.6263 0.0000 C 0 0 3.3572 -2.8718 0.0000 Cl 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.3560 1.3452 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 9 17 1 0 9 10 2 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 21 1 0 14 15 2 0 14 20 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 M END > ZINC03815448 > 5 $$$$ SciTegic07110717562D 20 21 0 0 0 0 999 V2000 -4.8757 -0.3530 0.0000 C 0 0 -4.8751 1.1478 0.0000 C 0 0 -3.5755 1.8984 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 3.8942 -1.4964 0.0000 O 0 0 -3.0629 3.3090 0.0000 C 0 0 1 0 0 0 -4.0285 4.4578 0.0000 C 0 0 -4.5698 3.0442 0.0000 C 0 0 -1.5852 3.5713 0.0000 C 0 0 -1.1753 4.6991 0.0000 O 0 0 -0.8131 2.6527 0.0000 O 0 5 1 2 1 0 3 2 1 6 3 4 1 0 3 15 1 0 4 13 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 14 1 0 10 11 2 0 11 12 1 0 12 13 1 0 15 16 1 0 15 17 1 0 15 18 1 1 18 19 2 0 18 20 1 0 M CHG 1 20 -1 M END > ZINC02035359 > 6 $$$$ SciTegic07110717562D 20 23 0 0 0 0 999 V2000 -4.3400 1.7360 0.0000 C 0 0 -2.8710 2.0476 0.0000 C 0 0 -1.8473 0.9348 0.0000 C 0 0 -2.2924 -0.4674 0.0000 C 0 0 -3.7613 -0.8235 0.0000 C 0 0 -4.8073 0.2671 0.0000 C 0 0 -6.2662 -0.0830 0.0000 O 0 0 -1.0683 -1.3576 0.0000 O 0 0 0.0890 -0.4674 0.0000 C 0 0 -0.3338 0.9348 0.0000 C 0 0 0.6232 2.0476 0.0000 C 0 0 0.2391 3.1845 0.0000 O 0 0 2.0921 1.7360 0.0000 O 0 0 2.5595 0.2893 0.0000 C 0 0 1.5802 -0.7790 0.0000 C 0 0 2.0921 -2.2256 0.0000 C 0 0 3.5610 -2.5149 0.0000 C 0 0 4.5403 -1.4244 0.0000 C 0 0 4.0729 0.0000 0.0000 C 0 0 6.0079 -1.7393 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 10 1 0 3 4 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 9 1 0 9 15 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 M END > ZINC00001219 > 7 $$$$ SciTegic07110717562D 21 24 0 0 0 0 999 V2000 3.1335 -2.4214 0.0000 C 0 0 2.5700 -1.0300 0.0000 C 0 0 1 0 0 0 1.6100 -2.2500 0.0000 C 0 0 0.0800 -2.0200 0.0000 C 0 0 -0.4500 -0.5900 0.0000 C 0 0 2 0 0 0 -1.9900 -0.3700 0.0000 C 0 0 -2.9600 -1.5900 0.0000 C 0 0 -4.4900 -1.3800 0.0000 C 0 0 -5.0700 0.0300 0.0000 C 0 0 -4.1100 1.2500 0.0000 C 0 0 -2.5700 1.0300 0.0000 C 0 0 -1.6100 2.2500 0.0000 C 0 0 0.0000 2.0200 0.0000 C 0 0 0.4500 0.5900 0.0000 C 0 0 2 0 0 0 1.9900 0.3700 0.0000 C 0 0 2 0 0 0 2.9600 1.5900 0.0000 C 0 0 4.4900 1.3800 0.0000 C 0 0 5.0700 0.0000 0.0000 C 0 0 4.1100 -1.2500 0.0000 C 0 0 2 0 0 0 5.5814 -1.4161 0.0000 O 0 0 -6.5566 0.2326 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 19 1 0 2 3 1 0 3 4 1 0 5 4 1 6 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 15 1 0 15 16 1 6 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 M END > ZINC03815442 > 8 $$$$ SciTegic07110717562D 22 26 0 0 0 0 999 V2000 1.4031 -2.2445 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -2.5981 1.5000 0.0000 C 0 0 -3.8971 0.7500 0.0000 C 0 0 -5.1962 1.5000 0.0000 C 0 0 -5.1962 3.0000 0.0000 C 0 0 -3.8971 3.7500 0.0000 C 0 0 -2.5981 3.0000 0.0000 C 0 0 -1.2991 3.7500 0.0000 C 0 0 0.0000 3.0000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 1.2909 -0.7496 0.0000 C 0 0 2.7173 -1.2136 0.0000 C 0 0 3.5957 0.0000 0.0000 C 0 0 2 0 0 0 2.7140 1.2135 0.0000 C 0 0 2.7140 -1.2135 0.0000 C 0 0 2 0 0 0 4.1735 -1.5014 0.0000 O 0 0 -6.4944 3.7531 0.0000 O 0 0 2 1 1 1 2 15 1 0 2 20 1 0 2 3 1 0 3 4 1 0 5 4 1 6 5 14 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 1 14 15 1 0 15 19 1 1 15 16 1 0 16 17 1 0 18 17 1 1 18 19 1 0 18 20 1 0 20 21 1 6 M END > ZINC03815441 > 9 $$$$ SciTegic07110717562D 24 27 0 0 0 0 999 V2000 1.2517 3.8078 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 3.2965 5.4106 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 3.6621 2.8384 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 2.2301 1.1317 0.0000 C 0 0 3.4746 0.3063 0.0000 C 0 0 4.9285 0.6911 0.0000 C 0 0 5.9834 -0.4029 0.0000 C 0 0 5.5767 -1.8415 0.0000 C 0 0 4.1052 -2.2213 0.0000 C 0 0 3.0679 -1.1323 0.0000 C 0 0 1.5754 -1.1841 0.0000 O 0 0 1.0656 0.2294 0.0000 C 0 0 -0.3756 0.6480 0.0000 C 0 0 -0.6196 2.1297 0.0000 C 0 0 -2.0249 2.6543 0.0000 C 0 0 -3.1818 1.6996 0.0000 C 0 0 -2.9334 0.2203 0.0000 C 0 0 -1.5281 -0.3043 0.0000 C 0 0 -4.5889 2.2215 0.0000 O 0 0 6.6283 -2.9123 0.0000 O 0 0 3.8593 6.8019 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 15 2 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 23 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 M END > ZINC03815445 > 10 $$$$