SciTegic07110717382D 28 30 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 -3.8990 0.7508 0.0000 C 0 0 -5.1988 1.5012 0.0000 S 0 0 -6.4990 0.7516 0.0000 C 0 0 -6.4970 -0.7484 0.0000 C 0 0 -7.7949 -1.5003 0.0000 C 0 0 -9.0950 -0.7521 0.0000 C 0 0 -9.0971 0.7479 0.0000 O 0 0 -7.7992 1.4997 0.0000 C 0 0 -7.8009 2.6997 0.0000 O 0 0 -10.3937 -1.5043 0.0000 C 0 0 -10.3893 -3.0043 0.0000 C 0 0 -11.6861 -3.7582 0.0000 C 0 0 -12.9873 -3.0121 0.0000 C 0 0 -12.9918 -1.5121 0.0000 C 0 0 -11.6951 -0.7582 0.0000 C 0 0 -14.2864 -3.7638 0.0000 O 0 0 -15.5873 -3.0154 0.0000 C 0 0 -16.8864 -3.7670 0.0000 C 0 0 -17.9266 -3.1686 0.0000 O 0 0 -5.1977 -1.4998 0.0000 O 0 0 -16.8849 -4.9670 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 11 27 1 0 12 13 2 0 13 14 1 0 13 17 1 0 14 15 1 0 15 16 2 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 24 25 1 0 25 26 2 0 25 28 1 0 M CHG 1 28 -1 M END > ZINC03808264 > 1 $$$$ SciTegic07110717382D 29 32 0 0 0 0 999 V2000 -7.7983 -1.4971 0.0000 C 0 0 -6.4980 -0.7476 0.0000 C 0 0 -6.4971 0.7524 0.0000 C 0 0 -5.1976 1.5016 0.0000 C 0 0 -3.8990 0.7508 0.0000 C 0 0 -3.9000 -0.7492 0.0000 C 0 0 -2.8611 -1.3498 0.0000 O 0 0 -5.1995 -1.4984 0.0000 O 0 0 -2.5988 1.5004 0.0000 C 0 0 2 0 0 0 -2.5993 -0.0003 0.0000 C 0 0 -3.8985 -0.7499 0.0000 C 0 0 -3.8990 -2.2499 0.0000 C 0 0 -2.6002 -3.0003 0.0000 C 0 0 -1.3009 -2.2508 0.0000 C 0 0 -1.3005 -0.7508 0.0000 C 0 0 0.0001 -2.9989 0.0000 N 0 0 1.2991 -2.2471 0.0000 S 0 0 2 0 0 0 2.1643 -1.7457 0.0000 O 0 0 1.2976 -1.2471 0.0000 O 0 0 2.6001 -2.9952 0.0000 C 0 0 3.9503 -2.3718 0.0000 C 0 0 4.9560 -3.4847 0.0000 N 0 0 4.2082 -4.7851 0.0000 C 0 0 2.7405 -4.4758 0.0000 N 0 0 6.4457 -3.3255 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -0.6646 1.9825 0.0000 C 0 0 0.0856 0.6836 0.0000 C 0 0 -5.1936 3.0025 0.0000 O 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 29 1 0 5 6 1 0 9 5 1 1 6 7 2 0 6 8 1 0 9 10 1 0 9 26 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 17 16 1 1 17 18 2 0 17 19 2 0 17 20 1 0 20 24 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 25 1 0 23 24 2 0 26 28 1 6 26 27 1 0 27 28 1 0 M END > ZINC03815647 > 2 $$$$ SciTegic07110717382D 31 34 0 0 0 0 999 V2000 -9.1004 -3.7476 0.0000 C 0 0 -7.8002 -2.9980 0.0000 C 0 0 -7.7983 -1.4971 0.0000 C 0 0 -6.4980 -0.7476 0.0000 C 0 0 -6.4971 0.7524 0.0000 C 0 0 -5.1976 1.5016 0.0000 C 0 0 -3.8990 0.7508 0.0000 C 0 0 -3.9000 -0.7492 0.0000 C 0 0 -2.8611 -1.3498 0.0000 O 0 0 -5.1995 -1.4984 0.0000 O 0 0 -2.5988 1.5004 0.0000 C 0 0 2 0 0 0 -2.5993 -0.0003 0.0000 C 0 0 -3.8985 -0.7499 0.0000 C 0 0 -3.8990 -2.2499 0.0000 C 0 0 -2.6002 -3.0003 0.0000 C 0 0 -1.3009 -2.2508 0.0000 C 0 0 -1.3005 -0.7508 0.0000 C 0 0 0.0001 -2.9989 0.0000 N 0 0 1.2991 -2.2471 0.0000 S 0 0 1 0 0 0 2.1643 -1.7457 0.0000 O 0 0 1.2976 -1.2471 0.0000 O 0 0 2.6001 -2.9952 0.0000 C 0 0 3.9503 -2.3718 0.0000 C 0 0 4.9560 -3.4847 0.0000 N 0 0 4.2082 -4.7851 0.0000 C 0 0 2.7405 -4.4758 0.0000 N 0 0 6.4457 -3.3255 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 0 0 0 -0.6646 1.9825 0.0000 C 0 0 0.0856 0.6836 0.0000 C 0 0 -5.1936 3.0025 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 31 1 0 7 8 1 0 11 7 1 1 8 9 2 0 8 10 1 0 11 12 1 0 11 28 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 19 18 1 6 19 20 2 0 19 21 2 0 19 22 1 0 22 26 1 0 22 23 2 0 23 24 1 0 24 25 1 0 24 27 1 0 25 26 2 0 28 30 1 6 28 29 1 0 29 30 1 0 M END > ZINC03815638 > 2 $$$$ SciTegic07110717382D 30 32 0 0 0 0 999 V2000 2.7893 5.5327 0.0000 C 0 0 2.1732 4.1641 0.0000 C 0 0 3.0496 2.9457 0.0000 C 0 0 2.4328 1.5754 0.0000 N 0 0 2.9471 0.1663 0.0000 C 0 0 1 0 0 0 2.1661 -1.1143 0.0000 C 0 0 1 0 0 0 0.6779 -1.3022 0.0000 C 0 0 2 0 0 0 -0.3968 -0.2558 0.0000 C 0 0 2 0 0 0 -0.2488 1.2369 0.0000 N 0 0 1.0105 2.0519 0.0000 C 0 0 0.8602 3.2424 0.0000 O 0 0 -1.5318 2.0194 0.0000 C 0 0 -1.4967 3.5198 0.0000 C 0 0 -2.7781 4.3012 0.0000 C 0 0 -1.7672 0.2905 0.0000 C 0 0 -2.9743 -0.6013 0.0000 C 0 0 -2.8057 -2.0917 0.0000 C 0 0 -4.0122 -2.9830 0.0000 C 0 0 -5.3873 -2.3838 0.0000 C 0 0 -5.5559 -0.8933 0.0000 C 0 0 -4.3494 -0.0020 0.0000 C 0 0 1.6890 -2.3764 0.0000 O 0 0 3.6363 -0.9936 0.0000 O 0 0 3.7694 1.3911 0.0000 C 0 0 5.2692 1.3370 0.0000 C 0 0 5.9719 0.0118 0.0000 C 0 0 7.4709 -0.0423 0.0000 C 0 0 8.2673 1.2288 0.0000 C 0 0 7.5646 2.5541 0.0000 C 0 0 6.0656 2.6082 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 10 1 0 4 5 1 0 5 6 1 0 5 24 1 6 6 7 1 0 6 23 1 6 7 8 1 0 7 22 1 1 8 9 1 0 8 15 1 1 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 24 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > ZINC03786324 > 3 $$$$