RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 -4.3154 -3.3771 2.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5011 -1.9060 2.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 -1.5249 1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5392 -0.2048 0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3376 0.6052 1.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5245 0.0876 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3696 -0.5511 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 0.0103 -1.6825 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1269 1.4450 -1.9250 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8449 1.4287 -1.2883 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 2.4093 -1.1706 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3194 3.7560 -1.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 4.2789 -2.3604 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5691 4.5625 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 4.1850 1.2973 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3452 2.7472 1.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7761 1.9908 0.4822 N 0 0 0 0 0 2 0 0 0 0 0 0 2.4986 1.0010 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4015 1.0806 2.3997 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 2.2042 2.6834 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2935 -0.1096 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -1.1596 0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5731 -2.1618 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -2.1051 -1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0647 -1.0462 -1.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3837 -0.0473 -1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8294 -0.8300 -2.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -1.4942 -3.8154 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 -1.6761 0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 -3.5582 2.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0561 -3.7183 3.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4106 -3.9815 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3815 -1.3162 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5013 -1.7414 1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4607 0.0338 -1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 1.7366 -2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3087 2.0617 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 5.6184 -0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 4.4408 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -1.1976 2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0313 -2.9826 0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 -2.8849 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1393 -0.9933 -2.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 0.7870 -1.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 -1.7585 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9032 -2.6281 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -1.5160 0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 18 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 8 27 1 0 27 28 3 0 7 29 1 0 10 6 1 0 20 16 2 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 8 35 1 1 9 36 1 6 11 37 1 0 14 38 1 0 14 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 26 44 1 0 29 45 1 0 29 46 1 0 29 47 1 0 M CHG 1 17 -1 M END