RDKit 3D 50 53 0 0 0 0 0 0 0 0999 V2000 -5.5467 -1.5609 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0418 -0.1560 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1092 0.4738 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8465 1.7868 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0205 2.6483 -0.5163 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 2.1278 -1.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 0.8188 -1.9424 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4181 -0.0661 -1.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5863 -1.2040 -1.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 0.3521 -3.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -0.7280 -2.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3456 -1.4349 -3.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 -0.8233 -1.6531 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 0.1848 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 -0.0175 0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4596 -0.2930 -0.1674 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4439 -1.2699 -1.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0454 -1.8719 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6541 -0.1066 0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 -0.1505 -0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1086 0.0470 0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1121 0.3015 1.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9086 0.3615 2.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6989 0.1623 1.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3834 0.5093 2.5802 N 0 0 0 0 0 4 0 0 0 0 0 0 8.4278 0.4443 1.9147 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 0.7364 3.7980 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.6853 2.2692 1.5298 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3913 0.7243 1.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3364 0.3793 2.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7579 1.3582 3.6553 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5823 -0.8484 3.1772 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.6300 -1.5998 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3672 -1.9876 -0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0554 -2.2032 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 2.7472 -2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2319 1.1984 -3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4522 -0.0585 -3.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1798 1.1620 -1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 0.1624 -0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8953 -0.8519 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 0.8958 1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 -0.7564 -2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 -2.0976 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7525 -2.4848 -0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 -2.5391 -2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9172 -0.3178 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0318 0.0054 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8844 0.5587 3.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 0.2033 2.4908 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 2 0 7 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 22 25 1 0 25 26 2 0 25 27 1 0 4 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 29 2 2 0 8 3 1 0 18 13 1 0 24 19 1 0 1 33 1 0 1 34 1 0 1 35 1 0 6 36 1 0 10 37 1 0 10 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 21 48 1 0 23 49 1 0 24 50 1 0 M CHG 3 25 1 27 -1 32 -1 M END