RDKit 3D 62 65 0 0 0 0 0 0 0 0999 V2000 4.7541 3.6077 -0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9096 2.5995 -0.2516 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6779 2.8419 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1068 1.7346 0.6868 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9911 0.7352 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1661 1.2450 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4335 0.6058 -0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0458 -0.5163 0.1961 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5836 -1.9722 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9491 -2.1924 -1.1417 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8565 -2.7071 0.9162 O 0 0 0 0 0 1 0 0 0 0 0 0 5.9605 -0.2417 1.6868 N 0 0 0 0 0 4 0 0 0 0 0 0 2.6292 -0.9306 0.7503 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.2212 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4145 -1.6208 -1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3299 -1.8595 -2.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 -1.6729 -2.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 -1.2085 -0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -1.0556 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 -0.6979 1.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7506 -1.0287 2.1189 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7234 -0.4305 1.1267 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.6451 -0.9399 -0.2618 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3923 0.0913 -1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8427 0.2718 -0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7804 -0.7301 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1101 -0.5855 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5051 0.5542 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5927 1.5633 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2627 1.4255 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8093 0.6432 0.4227 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9893 -0.4335 3.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.6797 4.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 0.2619 3.5575 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0199 -1.9817 -2.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 -1.8052 -2.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 3.3491 -1.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7034 3.6322 -0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 4.5844 -0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 3.8312 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 0.2582 -1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2041 1.3829 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 -0.5404 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 0.4383 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1506 -1.1916 2.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9924 -0.0511 1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -2.1974 -3.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 -1.2572 2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1394 0.3716 1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9456 -2.1083 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5797 0.5845 1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6526 -0.5267 1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1758 -1.9003 -0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8733 1.0592 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3847 -0.1882 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4872 -1.6309 -1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8368 -1.3625 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8951 2.4580 0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5607 2.2245 0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9195 1.4453 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6751 -2.3576 -3.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 -1.9766 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 1 0 5 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 28 31 1 0 21 32 1 0 32 33 2 0 32 34 1 0 17 35 1 0 15 36 1 0 6 2 1 0 19 14 1 0 23 18 1 0 30 25 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 7 41 1 0 7 42 1 0 8 43 1 6 12 44 1 0 12 45 1 0 12 46 1 0 16 47 1 0 20 48 1 0 20 49 1 0 21 50 1 1 22 51 1 0 22 52 1 0 23 53 1 1 24 54 1 0 24 55 1 0 26 56 1 0 27 57 1 0 29 58 1 0 30 59 1 0 31 60 1 0 35 61 1 0 36 62 1 0 M CHG 4 11 -1 12 1 22 1 34 -1 M END