RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 5.4245 2.6174 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 1.2260 -2.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 0.9614 -2.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1026 -0.3291 -1.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 -1.3708 -1.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3764 -1.1020 -1.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8398 0.1850 -2.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7121 -2.6780 -1.4436 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 -3.0909 -1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0914 -3.3211 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0844 -2.0256 1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -2.2363 2.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 -3.0725 3.0768 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -1.9690 2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1434 -0.9641 3.2753 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 0.0226 2.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 0.9193 3.7343 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 -0.1087 1.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5672 0.6959 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8291 0.1923 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 -1.2055 -0.6854 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 -1.1820 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -2.1322 1.2156 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 0.7439 -1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 2.1757 -0.9000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4849 2.2936 0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2415 1.9288 1.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2684 3.2226 -1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6374 3.1560 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6811 3.1833 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3344 2.5850 -3.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 1.7618 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 -0.4613 -1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0882 -1.9111 -1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 0.3647 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -4.0610 -1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 -2.4497 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 -3.8380 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 -3.9883 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3206 -1.3387 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 -1.5122 0.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7293 -2.8326 2.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -1.2672 3.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7481 -0.9477 4.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4507 0.7278 -2.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7232 0.0927 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2229 2.3845 -1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8164 3.3048 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3062 1.6201 0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5419 1.7884 2.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 2.7570 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2331 3.1998 -2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 4.2320 -1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2515 3.0531 -1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 20 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 7 2 1 0 23 14 2 0 22 18 2 0 27 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 4 33 1 0 6 34 1 0 7 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 15 44 1 0 24 45 1 0 24 46 1 0 25 47 1 6 26 48 1 0 26 49 1 0 27 50 1 0 27 51 1 0 28 52 1 0 28 53 1 0 28 54 1 0 M END