RDKit 3D 43 45 0 0 0 0 0 0 0 0999 V2000 -4.5509 -2.8829 1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 -3.1834 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9698 -2.1773 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4344 -0.8577 -0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 -0.5674 0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0219 -1.5757 1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8207 0.2351 -1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8371 1.1042 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2623 2.3382 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3749 3.1399 0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 2.7223 1.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 1.4977 0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 0.7080 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 -0.5031 -0.5272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6651 -0.5821 -1.9934 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3723 0.6080 -2.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4668 -1.9087 -2.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 -0.4564 -1.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3657 0.4330 -1.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 0.1769 -1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 -0.9129 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9589 -1.6089 -0.4317 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 -1.4950 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0043 -1.2315 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5217 -2.1759 -0.7112 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4953 -0.1049 0.2566 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8387 4.4221 1.5100 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.0307 5.1026 2.1577 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0155 4.7490 1.2940 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.9795 -3.6673 2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1527 -4.2013 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 -2.4338 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8442 0.4476 0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8197 -1.3402 2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6271 0.8567 -1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 -0.1957 -1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2887 2.6621 0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6382 3.3269 1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3865 1.1637 0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 1.2393 -2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 0.7605 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -1.0539 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 -2.5777 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 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 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 10 27 1 0 27 28 2 0 27 29 1 0 6 1 1 0 13 8 1 0 22 18 1 0 1 30 1 0 2 31 1 0 3 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 9 37 1 0 11 38 1 0 12 39 1 0 19 40 1 0 20 41 1 0 23 42 1 0 23 43 1 0 M CHG 3 26 -1 27 1 29 -1 M END