RDKit 3D 51 52 0 0 0 0 0 0 0 0999 V2000 -4.7058 -2.2640 -1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5007 -1.6794 -0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8775 -1.9517 -0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6552 -1.4335 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0543 -0.6344 1.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6834 -0.3569 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8915 -0.8819 0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 -0.5406 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1256 1.0354 -0.6967 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 1.0926 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 2.2219 -0.9926 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5812 2.2456 -0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3283 1.1682 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6267 0.0311 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 0.0203 -0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1516 -1.0214 0.5018 O 0 0 0 0 0 1 0 0 0 0 0 0 2.8378 1.2207 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 1.6029 1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0921 1.7071 1.3057 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 -0.0709 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1408 -0.4404 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2278 -1.9645 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5363 0.1662 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 3.5164 -1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8718 -0.0838 2.3755 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.3054 0.5903 3.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0887 -0.3270 2.3627 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.1667 -1.4791 -2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3556 -2.7643 -2.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 -3.0075 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3539 -2.5712 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7184 -1.6597 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2139 0.2703 1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0433 -0.4666 1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 -1.3522 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 1.9278 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 0.2478 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 0.9087 1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8707 2.5911 1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6048 -0.6673 1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2023 -0.3026 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 -0.0811 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2329 -2.4171 -0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6564 -2.2528 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 -2.3935 0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5016 1.2598 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9811 -0.1561 -1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 -0.1427 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8471 3.3293 -2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8446 3.9502 -0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 4.2606 -1.6351 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 12 24 1 0 5 25 1 0 25 26 2 0 25 27 1 0 7 2 1 0 15 10 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 4 32 1 0 6 33 1 0 8 34 1 0 8 35 1 0 17 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 24 51 1 0 M CHG 3 16 -1 25 1 27 -1 M END