SciTegic07110717352D 22 24 0 0 0 0 999 V2000 -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 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 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 2.6410 -2.3802 0.0000 C 0 0 2.0852 -3.7743 0.0000 C 0 0 0.6008 -3.9900 0.0000 C 0 0 0.0454 -5.3834 0.0000 C 0 0 0.9744 -6.5611 0.0000 C 0 0 2.4588 -6.3454 0.0000 C 0 0 3.0142 -4.9520 0.0000 C 0 0 3.3907 -7.5219 0.0000 C 0 3 4.8756 -7.3040 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 4.8506 -1.2602 0.0000 N 0 0 2.8402 -8.9181 0.0000 N 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 8 2 0 8 9 1 0 8 19 1 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 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 22 2 0 19 20 2 0 19 21 1 0 M CHG 1 17 1 M END > ZINC04631167 > 1 $$$$ SciTegic07110717352D 27 29 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.3039 3.7494 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 0.2688 5.8520 0.0000 O 0 0 2.6078 5.9988 0.0000 N 0 0 2.6109 7.4996 0.0000 C 0 0 1.3118 8.2497 0.0000 C 0 0 1.3118 9.7497 0.0000 C 0 0 2.6109 10.4997 0.0000 C 0 0 3.9099 9.7497 0.0000 C 0 0 3.9099 8.2497 0.0000 C 0 0 2.6140 12.0005 0.0000 C 0 0 1.5758 12.6024 0.0000 O 0 0 3.9148 12.7491 0.0000 N 0 0 5.2641 12.1233 0.0000 C 0 0 6.2717 13.2345 0.0000 C 0 0 5.5262 14.5362 0.0000 C 0 0 4.0579 14.2294 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 1 2 1 0 1 26 1 0 1 27 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 1 0 21 25 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 1 1 M END > ZINC03815607 > 2 $$$$ SciTegic07110717352D 27 28 0 0 0 0 999 V2000 3.8950 0.7340 0.0000 C 0 3 2.5967 1.4871 0.0000 C 0 0 2.6029 2.9870 0.0000 C 0 0 1.3070 3.7424 0.0000 C 0 0 0.0049 2.9977 0.0000 C 0 0 -0.0013 1.4977 0.0000 C 0 0 1.2946 0.7424 0.0000 C 0 0 -1.2934 3.7508 0.0000 C 0 0 -1.2905 4.9508 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 1 0 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 O 0 0 -5.1873 7.5117 0.0000 C 0 0 -3.8856 8.2573 0.0000 C 0 0 -3.8805 9.7573 0.0000 C 0 0 -5.1769 10.5118 0.0000 C 0 0 -6.4785 9.7663 0.0000 C 0 0 -6.4837 8.2663 0.0000 C 0 0 -7.7772 10.5185 0.0000 C 0 3 -9.0785 9.7707 0.0000 N 0 0 -3.8982 2.2270 0.0000 C 0 0 -4.9389 1.6297 0.0000 O 0 0 3.8928 -0.7668 0.0000 N 0 0 5.1976 1.4795 0.0000 N 0 0 -7.7777 12.0193 0.0000 N 0 0 -3.0336 1.7246 0.0000 O 0 5 1 2 1 0 1 24 1 0 1 25 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 2 0 8 10 1 0 11 10 1 6 11 12 1 0 11 22 1 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 20 26 2 0 22 23 2 0 22 27 1 0 M CHG 3 1 1 20 1 27 -1 M END > ZINC03815591 > 3 $$$$ SciTegic07110717352D 28 31 0 0 0 0 999 V2000 11.7938 -7.5843 0.0000 C 0 0 13.2140 -7.1017 0.0000 C 0 0 13.1938 -5.6018 0.0000 C 0 0 11.7612 -5.1575 0.0000 S 0 0 10.9177 -6.3825 0.0000 C 0 0 9.4170 -6.3996 0.0000 C 0 0 8.6510 -5.1089 0.0000 C 0 0 7.1503 -5.1260 0.0000 S 0 0 1 0 0 0 6.5625 -6.1722 0.0000 O 0 0 7.7381 -4.0798 0.0000 O 0 0 6.3843 -3.8354 0.0000 N 0 0 4.8844 -3.8534 0.0000 C 0 0 4.1189 -2.5635 0.0000 C 0 0 4.8532 -1.2555 0.0000 N 0 0 6.3531 -1.2375 0.0000 C 0 0 6.9405 -0.1911 0.0000 O 0 0 7.1186 -2.5274 0.0000 C 0 0 4.0872 0.0351 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 14.1551 -4.8835 0.0000 Cl 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 28 1 0 4 5 1 0 5 6 1 0 6 7 2 0 8 7 1 6 8 9 2 0 8 10 2 0 8 11 1 0 11 17 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 18 1 0 15 16 2 0 15 17 1 0 18 19 1 0 19 27 1 0 19 20 2 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 M END > ZINC01490749 > 4 $$$$ SciTegic07110717352D 29 31 0 0 0 0 999 V2000 5.1943 -3.0089 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2 0 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.9014 3.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 O 0 0 -5.1969 1.4963 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -3.8948 -0.4516 0.0000 O 0 0 3.8912 -5.2578 0.0000 N 0 0 5.1894 -6.0109 0.0000 C 0 0 6.2297 -5.4127 0.0000 O 0 0 5.1873 -7.5117 0.0000 N 0 0 6.4855 -8.2648 0.0000 C 0 0 7.7846 -7.5149 0.0000 C 0 0 9.0836 -8.2649 0.0000 C 0 0 9.0836 -9.7649 0.0000 C 0 0 7.7846 -10.5149 0.0000 C 0 0 6.4855 -9.7648 0.0000 C 0 0 10.1228 -10.3649 0.0000 Cl 0 0 2 1 1 1 2 3 1 0 2 19 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 12 17 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 M END > ZINC03815610 > 5 $$$$ SciTegic07110717352D 29 31 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -1.2947 3.7547 0.0000 C 0 0 -1.2938 5.2548 0.0000 C 0 0 -2.5923 6.0056 0.0000 C 0 0 -3.8919 5.2565 0.0000 C 0 0 -3.8928 3.7565 0.0000 C 0 0 -2.5943 3.0056 0.0000 N 0 0 -5.1915 3.0042 0.0000 O 0 0 -5.1904 1.5034 0.0000 C 0 0 -3.8892 0.7569 0.0000 C 0 0 -3.8850 -0.7431 0.0000 C 0 0 -5.1820 -1.4967 0.0000 C 0 0 -6.4831 -0.7503 0.0000 C 0 0 -6.4873 0.7497 0.0000 C 0 0 -7.7823 -1.5017 0.0000 C 0 3 -9.0831 -0.7531 0.0000 N 0 0 -4.9307 5.8571 0.0000 F 0 0 -2.5913 7.5064 0.0000 C 0 0 -0.2542 5.8541 0.0000 F 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 -7.7838 -3.0026 0.0000 N 0 0 1 2 1 0 1 27 1 0 1 28 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 10 26 1 0 11 12 1 0 11 25 1 0 12 13 2 0 12 24 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 29 2 0 M CHG 2 1 1 22 1 M END > ZINC03815598 > 6 $$$$ SciTegic07110717352D 29 32 0 0 0 0 999 V2000 8.5218 5.2941 0.0000 C 0 0 9.2884 4.0048 0.0000 C 0 0 8.5551 2.6963 0.0000 C 0 0 7.0552 2.6770 0.0000 C 0 0 6.2886 3.9663 0.0000 C 0 0 7.0219 5.2749 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 7.0877 0.0772 0.0000 N 0 0 6.3541 -1.2320 0.0000 C 0 0 5.3542 -1.2446 0.0000 O 0 0 7.1192 -2.5204 0.0000 C 0 0 8.5868 -2.6481 0.0000 C 0 0 8.9405 -4.0990 0.0000 C 0 0 10.2694 -4.8033 0.0000 C 0 0 10.3016 -6.3226 0.0000 C 0 0 9.0264 -7.1031 0.0000 C 0 0 7.6880 -6.3833 0.0000 C 0 0 7.6653 -4.8794 0.0000 C 0 0 6.5342 -3.9045 0.0000 N 0 0 5.0464 -3.7281 0.0000 C 0 0 4.1473 -4.9298 0.0000 C 0 0 4.7383 -6.3085 0.0000 C 0 0 3.8397 -7.5096 0.0000 C 0 0 2.3503 -7.3320 0.0000 C 0 0 1.7594 -5.9533 0.0000 C 0 0 2.6579 -4.7522 0.0000 C 0 0 0.2694 -5.7726 0.0000 C 0 3 -0.3198 -4.3923 0.0000 N 0 0 -0.6341 -6.9709 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 19 1 0 11 12 2 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 2 0 M CHG 1 27 1 M END > ZINC04631143 > 7 $$$$ SciTegic07110717352D 29 33 0 0 0 0 999 V2000 -2.3270 1.7783 0.0000 C 0 0 -0.9975 1.0421 0.0000 C 0 0 0.2795 1.8365 0.0000 C 0 0 0.2462 3.3312 0.0000 C 0 0 1.6577 3.8186 0.0000 C 0 0 2.5599 2.6169 0.0000 C 0 0 1.7115 1.4126 0.0000 S 0 0 4.0582 2.6335 0.0000 S 0 0 1 0 0 0 4.6462 3.6796 0.0000 O 0 0 5.0581 2.6452 0.0000 O 0 0 4.8239 1.3427 0.0000 N 0 0 6.3246 1.3595 0.0000 C 0 0 1 0 0 0 7.7856 1.2739 0.0000 C 0 0 8.1136 -0.1898 0.0000 C 0 0 6.8229 -0.9541 0.0000 N 0 0 5.6972 0.0373 0.0000 C 0 0 4.7177 -0.1642 0.0000 O 0 0 6.6827 -2.4458 0.0000 C 0 0 7.9060 -3.3153 0.0000 C 0 0 7.9005 -4.7776 0.0000 C 0 0 9.3192 -5.2438 0.0000 C 0 0 9.9173 -6.6238 0.0000 C 0 0 11.4295 -6.7748 0.0000 C 0 0 12.3074 -5.5647 0.0000 N 0 0 11.6946 -4.1741 0.0000 C 0 0 10.1971 -4.0337 0.0000 C 0 0 9.3137 -2.8297 0.0000 N 0 0 -1.0651 4.0678 0.0000 N 0 0 -2.3604 3.2729 0.0000 C 0 0 1 29 2 0 1 2 1 0 2 3 2 0 3 7 1 0 3 4 1 0 4 5 1 0 4 28 2 0 5 6 2 0 6 7 1 0 8 6 1 1 8 9 2 0 8 10 2 0 8 11 1 0 12 11 1 1 12 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 18 1 0 16 17 2 0 18 19 1 0 19 27 1 0 19 20 2 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 28 29 1 0 M END > ZINC03815573 > 8 $$$$ SciTegic07110717352D 29 31 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1 0 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 3 0 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 2 0 0 0 1.2978 3.7529 0.0000 C 0 0 2.2583 6.4042 0.0000 C 0 0 2 0 0 0 1.7437 7.8140 0.0000 C 0 0 2.7065 8.9652 0.0000 C 0 0 2.1919 10.3750 0.0000 C 0 0 3.1547 11.5263 0.0000 N 0 0 2.6401 12.9361 0.0000 C 0 0 1 0 0 0 1.1620 13.1922 0.0000 C 0 0 0.6448 14.6002 0.0000 C 0 0 3.0835 15.4961 0.0000 C 0 0 3.6008 14.0881 0.0000 C 0 0 2.7801 4.9659 0.0000 C 0 0 2.0083 4.0470 0.0000 O 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 1.6055 15.7522 0.0000 N 0 0 3.9617 4.7567 0.0000 O 0 5 2 1 1 6 1 26 1 0 1 27 2 0 2 7 1 0 2 3 1 0 3 4 1 0 4 5 1 0 6 5 1 6 6 7 1 0 6 8 1 0 8 13 1 4 8 9 1 0 9 10 1 0 10 11 1 0 12 11 1 1 12 13 1 0 12 14 1 0 14 15 1 6 14 24 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 18 1 1 19 23 1 0 19 20 1 0 20 21 1 0 21 28 1 0 22 23 1 0 22 28 1 0 24 25 2 0 24 29 1 0 M CHG 2 1 1 29 -1 M END > ZINC03815585 > 9 $$$$ SciTegic07110717352D 30 32 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 3.8968 -0.7523 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -2.5952 6.0101 0.0000 N 0 0 -2.5974 7.5109 0.0000 C 0 0 -3.6376 8.1091 0.0000 O 0 0 -1.2992 8.2641 0.0000 C 0 0 0.0000 7.5141 0.0000 C 0 0 1.2990 8.2642 0.0000 C 0 0 1.2989 9.7642 0.0000 C 0 0 -0.0001 10.5141 0.0000 C 0 0 -1.2991 9.7641 0.0000 C 0 0 2.5971 10.5173 0.0000 O 0 0 2.5949 12.0182 0.0000 C 0 0 -7.7928 3.0093 0.0000 O 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 30 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 28 29 1 0 M END > ZINC00587692 > 10 $$$$ SciTegic07110717352D 31 33 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.3039 3.7494 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 2.6078 5.9988 0.0000 N 0 0 2.6109 7.4996 0.0000 C 0 0 1.5727 8.1014 0.0000 O 0 0 3.9117 8.2482 0.0000 C 0 0 5.2082 7.4937 0.0000 C 0 0 6.5098 8.2392 0.0000 C 0 0 6.5150 9.7392 0.0000 C 0 0 5.2186 10.4937 0.0000 C 0 0 3.9170 9.7482 0.0000 C 0 0 7.8173 10.4851 0.0000 C 0 0 9.1126 9.7286 0.0000 C 0 0 10.4154 10.4721 0.0000 C 0 0 10.4230 11.9720 0.0000 C 0 0 9.1277 12.7286 0.0000 C 0 0 7.8249 11.9852 0.0000 C 0 0 6.5290 12.7422 0.0000 S 0 0 1 0 0 0 5.4869 12.1471 0.0000 O 0 0 5.4926 13.3469 0.0000 O 0 0 6.5357 14.2430 0.0000 N 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 1 2 1 0 1 30 1 0 1 31 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 26 25 1 1 26 27 2 0 26 28 2 0 26 29 1 0 M CHG 1 1 1 M END > ZINC03815604 > 11 $$$$ SciTegic07110717352D 31 34 0 0 0 0 999 V2000 11.9767 11.0078 0.0000 C 0 0 12.5695 8.0871 0.0000 C 0 0 11.4335 7.1076 0.0000 C 0 0 10.0171 7.6016 0.0000 C 0 0 9.7368 9.0751 0.0000 C 0 0 10.8728 10.0547 0.0000 C 0 0 8.8805 6.6215 0.0000 C 0 0 7.4631 7.1148 0.0000 C 0 0 6.3265 6.1347 0.0000 N 0 0 4.9091 6.6281 0.0000 C 0 0 4.7219 7.6104 0.0000 O 0 0 3.7745 5.6495 0.0000 C 0 0 3.3956 4.2258 0.0000 C 0 0 1.9055 4.1276 0.0000 C 0 0 0.9827 2.9400 0.0000 C 0 0 -0.5195 3.1703 0.0000 C 0 0 -1.0685 4.5608 0.0000 C 0 0 -0.1287 5.7551 0.0000 C 0 0 1.3566 5.5182 0.0000 C 0 0 2.5119 6.4643 0.0000 N 0 0 2.9422 7.8995 0.0000 C 0 0 1.9134 8.9922 0.0000 C 0 0 0.4237 9.1679 0.0000 C 0 0 -0.1689 10.5459 0.0000 C 0 0 0.7281 11.7481 0.0000 C 0 0 2.2178 11.5724 0.0000 C 0 0 2.8104 10.1944 0.0000 C 0 0 3.1177 12.7735 0.0000 C 0 3 4.6080 12.5955 0.0000 N 0 0 12.2891 9.5607 0.0000 N 0 3 2.5300 14.1544 0.0000 N 0 0 1 30 1 0 2 3 1 0 2 30 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 6 30 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 20 1 0 12 13 2 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 28 31 2 0 M CHG 2 28 1 30 1 M END > ZINC03831885 > 12 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1825 -2.6263 0.0000 C 0 0 3.6516 -2.9333 0.0000 C 0 0 4.6515 -1.8151 0.0000 C 0 0 6.1198 -2.1219 0.0000 C 0 0 6.5882 -3.5469 0.0000 C 0 0 5.5884 -4.6651 0.0000 C 0 0 4.1201 -4.3583 0.0000 C 0 0 6.0542 -6.0918 0.0000 C 0 3 5.0522 -7.2092 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 1.3808 3.5211 0.0000 O 0 0 3.6500 2.9355 0.0000 N 0 0 4.1182 4.3614 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 6.0541 6.0953 0.0000 C 0 0 7.5221 6.4035 0.0000 C 0 0 8.5230 5.2863 0.0000 C 0 0 8.0560 3.8609 0.0000 C 0 0 6.5880 3.5526 0.0000 C 0 0 9.9925 5.5917 0.0000 C 0 3 10.9923 4.4725 0.0000 N 0 0 7.5221 -6.4044 0.0000 N 0 0 10.4652 7.0161 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 19 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 31 2 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 29 1 0 27 28 1 0 29 30 1 0 29 32 2 0 M CHG 2 17 1 29 1 M END > ZINC04631158 > 13 $$$$ SciTegic07110717352D 32 35 0 0 0 0 999 V2000 -3.6217 1.4865 0.0000 C 0 3 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1783 2.6281 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 0.0018 3.4972 0.0000 O 0 0 1.6411 5.1720 0.0000 N 0 0 0.6387 6.2890 0.0000 C 0 0 -0.8284 5.9766 0.0000 C 0 0 -1.8325 7.0910 0.0000 C 0 0 -1.3695 8.5177 0.0000 C 0 0 0.0976 8.8301 0.0000 C 0 0 1.1017 7.7158 0.0000 C 0 0 -2.3741 9.6326 0.0000 C 0 0 -3.8408 9.3180 0.0000 C 0 0 -4.8467 10.4308 0.0000 C 0 0 -4.3860 11.8582 0.0000 C 0 0 -2.9194 12.1730 0.0000 C 0 0 -1.9135 11.0602 0.0000 C 0 0 -0.4461 11.3752 0.0000 S 0 0 1 0 0 0 0.3584 10.4848 0.0000 O 0 0 0.7273 11.6265 0.0000 O 0 0 0.0158 12.8032 0.0000 N 0 0 -4.9153 0.7255 0.0000 N 0 0 -3.6376 2.9873 0.0000 N 0 0 1 2 1 0 1 31 1 0 1 32 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 10 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 8 11 1 0 9 10 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 27 26 1 6 27 28 2 0 27 29 2 0 27 30 1 0 M CHG 1 1 1 M END > ZINC03815608 > 14 $$$$ SciTegic07110717352D 32 36 0 0 0 0 999 V2000 -3.9167 7.5009 0.0000 C 0 3 -3.9129 6.0001 0.0000 C 0 0 -5.2115 5.2494 0.0000 C 0 0 -5.2108 3.7494 0.0000 C 0 0 -3.9114 3.0001 0.0000 C 0 0 -2.6127 3.7507 0.0000 C 0 0 -2.6135 5.2507 0.0000 C 0 0 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.8916 1.5016 0.0000 C 0 0 2 0 0 0 4.5283 0.2703 0.0000 C 0 0 5.2762 1.5705 0.0000 C 0 0 3.8894 3.0025 0.0000 C 0 0 2.8490 3.6006 0.0000 O 0 0 5.1875 3.7557 0.0000 N 0 0 6.5390 3.1347 0.0000 C 0 0 7.5426 4.2495 0.0000 C 0 0 6.7925 5.5485 0.0000 C 0 0 5.3253 5.2365 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -5.2179 8.2488 0.0000 N 0 0 -2.6202 8.2569 0.0000 N 0 0 1 2 1 0 1 31 1 0 1 32 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 1 0 9 19 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 30 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 20 16 1 1 17 18 1 0 18 19 1 0 20 22 1 0 20 21 1 0 20 23 1 0 21 22 1 0 23 24 2 0 23 25 1 0 25 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M CHG 1 1 1 M END > ZINC03815612 > 15 $$$$ SciTegic07110717352D 32 36 0 0 0 0 999 V2000 -18.0626 1.1909 0.0000 C 0 3 -16.5617 1.1960 0.0000 C 0 0 -15.8189 2.4991 0.0000 C 0 0 -14.3189 2.5073 0.0000 C 0 0 -13.5617 1.2125 0.0000 C 0 0 -14.3046 -0.0907 0.0000 C 0 0 -15.8046 -0.0989 0.0000 C 0 0 -12.0609 1.2176 0.0000 N 0 0 -11.3052 -0.0790 0.0000 C 0 0 -9.8068 -0.0737 0.0000 C 0 0 -8.9493 1.1242 0.0000 N 0 0 -7.5206 0.6896 0.0000 C 0 0 -6.2377 1.4744 0.0000 C 0 0 -4.9138 0.7282 0.0000 C 0 0 -4.8916 -0.7666 0.0000 C 0 0 -6.1928 -1.5517 0.0000 C 0 0 -7.4985 -0.8053 0.0000 C 0 0 -8.9136 -1.2821 0.0000 N 0 0 -9.3612 -2.7119 0.0000 C 0 0 -3.4379 1.0009 0.0000 C 0 0 -2.9351 2.4150 0.0000 N 0 0 -1.5243 2.8023 0.0000 C 0 0 -1.4731 4.3041 0.0000 N 0 0 -2.8782 4.8099 0.0000 C 0 0 -3.7897 3.6249 0.0000 C 0 0 -5.2827 3.8072 0.0000 C 0 0 -5.8563 5.2145 0.0000 C 0 0 -4.9448 6.3995 0.0000 C 0 0 -3.4374 6.2061 0.0000 C 0 0 -0.3534 1.8674 0.0000 C 0 0 -18.8182 2.4876 0.0000 N 0 0 -18.8108 -0.1102 0.0000 N 0 0 1 2 1 0 1 31 1 0 1 32 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 1 0 9 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 20 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 20 21 1 0 21 25 1 0 21 22 1 0 22 23 2 0 22 30 1 0 23 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M CHG 1 1 1 M END > ZINC03815594 > 16 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 3 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -1.2947 3.7547 0.0000 C 0 0 -1.2938 5.2548 0.0000 C 0 0 -2.5923 6.0056 0.0000 C 0 0 -3.8919 5.2565 0.0000 C 0 0 -3.8928 3.7565 0.0000 C 0 0 -2.5943 3.0056 0.0000 N 0 0 -5.1915 3.0042 0.0000 O 0 0 -6.4928 3.7520 0.0000 C 0 0 -6.4929 5.2520 0.0000 C 0 0 -7.7919 6.0020 0.0000 C 0 0 -9.0910 5.2520 0.0000 C 0 0 -9.0910 3.7520 0.0000 C 0 0 -7.7919 3.0020 0.0000 C 0 0 -10.3907 3.0017 0.0000 C 0 0 -11.7411 3.6248 0.0000 N 0 0 -12.7465 2.5117 0.0000 C 0 0 -11.9986 1.2115 0.0000 C 0 0 -10.5309 1.5210 0.0000 N 0 0 -9.4115 0.5253 0.0000 C 0 0 -2.5944 7.5064 0.0000 C 0 0 -3.6341 8.1056 0.0000 O 0 0 -2.5973 1.5031 0.0000 O 0 0 2.5951 -3.0039 0.0000 N 0 0 3.8999 -0.7576 0.0000 N 0 0 -1.5559 8.1076 0.0000 O 0 5 1 2 1 0 1 31 1 0 1 32 2 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 30 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 28 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 26 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 28 29 2 0 28 33 1 0 M CHG 2 1 1 33 -1 M END > ZINC03815601 > 17 $$$$ SciTegic07110717352D 33 36 0 0 0 0 999 V2000 -12.7171 -1.8337 0.0000 C 0 0 -13.3315 -0.4644 0.0000 C 0 3 -12.4552 0.7508 0.0000 N 0 0 -10.9552 0.7530 0.0000 C 0 0 -10.4937 2.1803 0.0000 C 0 0 -11.7085 2.9966 0.0000 C 0 0 1 0 0 0 -12.9208 2.1768 0.0000 C 0 0 -10.4097 3.7487 0.0000 O 0 0 -10.4107 5.2495 0.0000 C 0 0 -11.7117 5.9960 0.0000 C 0 0 -11.7158 7.4960 0.0000 C 0 0 -10.4188 8.2495 0.0000 C 0 0 -9.1178 7.5030 0.0000 C 0 0 -9.1137 6.0030 0.0000 C 0 0 -9.9094 9.6612 0.0000 C 0 0 2 0 0 0 -8.4322 9.9268 0.0000 C 0 0 -7.9229 11.3384 0.0000 C 0 0 -8.8883 12.4829 0.0000 C 0 0 -8.3661 13.9028 0.0000 C 0 0 -6.8924 14.1664 0.0000 C 0 0 -6.3841 15.5746 0.0000 C 0 0 -4.9105 15.8382 0.0000 C 0 0 -3.9451 14.6937 0.0000 C 0 0 -4.4533 13.2856 0.0000 C 0 0 -5.9270 13.0219 0.0000 C 0 0 -6.4353 11.6138 0.0000 C 0 0 -2.4672 14.9552 0.0000 C 0 3 -1.5011 13.8066 0.0000 N 0 0 -11.4146 9.3875 0.0000 C 0 0 -11.8197 8.2579 0.0000 O 0 0 -14.8243 -0.3092 0.0000 N 0 0 -1.9521 16.3649 0.0000 N 0 0 -12.1906 10.3028 0.0000 O 0 5 1 2 1 0 2 3 1 0 2 31 2 0 3 7 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 1 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 15 1 0 13 14 1 0 15 16 1 1 15 29 1 0 16 17 1 0 17 26 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 27 1 0 24 25 1 0 25 26 1 0 27 28 1 0 27 32 2 0 29 30 2 0 29 33 1 0 M CHG 3 2 1 27 1 33 -1 M END > ZINC03791107 > 18 $$$$ SciTegic07110717352D 34 38 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 -0.0028 3.7494 0.0000 N 0 0 -0.0028 5.2502 0.0000 C 0 0 1.0366 5.8499 0.0000 O 0 0 -1.3021 6.0014 0.0000 C 0 0 -2.6571 5.3835 0.0000 C 0 0 -3.6515 6.4975 0.0000 C 0 0 -2.8933 7.7860 0.0000 C 0 0 -1.4365 7.4576 0.0000 N 0 0 -0.0379 7.9956 0.0000 C 0 0 0.1966 9.4780 0.0000 C 0 0 1.5969 10.0157 0.0000 C 0 0 1.8314 11.4973 0.0000 C 0 0 0.6655 12.4411 0.0000 C 0 0 -0.7348 11.9034 0.0000 C 0 0 -0.9692 10.4218 0.0000 C 0 0 -1.9032 12.8453 0.0000 C 0 3 -3.3035 12.3052 0.0000 N 0 0 -3.6206 9.1025 0.0000 C 0 0 -5.1403 9.1083 0.0000 C 0 0 -5.8985 7.8198 0.0000 C 0 0 -5.1555 6.4941 0.0000 C 0 0 -5.9117 5.1980 0.0000 O 0 0 -1.6743 14.3286 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 11 1 0 8 9 1 0 9 10 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 19 1 0 15 16 2 0 16 17 1 0 17 32 2 0 17 18 1 0 18 19 1 0 18 29 2 0 19 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 34 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 M CHG 1 27 1 M END > ZINC04631156 > 19 $$$$