RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 4.9395 -3.5289 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -2.1912 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 -1.2639 0.3045 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -1.3218 -0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.4852 -1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9434 -0.4358 -2.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8749 0.3594 -2.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4153 1.2001 -1.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0774 1.2904 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 0.4134 -0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 0.4682 1.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 -0.3755 1.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4425 -0.2711 2.8915 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 1.9476 -1.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0564 2.7516 -2.6148 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 1.5640 -0.7157 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0693 2.0126 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7262 2.8952 -1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0372 3.3060 -1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7081 2.8435 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0651 1.9762 0.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7427 1.5522 0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 0.6624 1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 -0.7213 1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5823 -1.5312 0.8597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3679 -0.9494 1.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8197 -2.1957 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 -2.1879 -1.7463 O 0 0 0 0 0 1 0 0 0 0 0 0 4.3533 -3.3995 2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 -4.0574 0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7961 -4.1688 1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 -2.3418 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0924 -1.7301 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2989 -1.0761 -3.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 0.3875 -3.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 1.9319 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4193 0.8158 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 3.2702 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5314 3.9816 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7300 3.1574 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6051 1.6291 1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 0.5133 2.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 1.1759 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7286 -0.3669 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 -2.8713 0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2681 -2.6710 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1249 -1.9637 -0.1624 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 8 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 4 28 1 0 12 3 1 0 10 5 1 0 22 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 6 34 1 0 7 35 1 0 9 36 1 0 16 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 23 42 1 0 23 43 1 0 26 44 1 0 27 45 1 0 27 46 1 0 27 47 1 0 M CHG 1 28 -1 M END