RDKit 3D 58 61 0 0 0 0 0 0 0 0999 V2000 0.7084 2.2355 5.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8044 1.2529 5.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 0.8566 3.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6921 0.1671 2.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9328 -0.0276 1.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 0.5179 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 1.2512 2.5085 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7184 0.4824 -0.0587 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 1.0374 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6811 1.7251 0.1693 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 0.7109 -1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 1.1118 -2.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9981 0.4596 -3.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8655 -0.3009 -3.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 -0.1483 -2.5474 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0401 -0.7397 0.6561 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0894 0.3028 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4332 0.0683 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4358 0.9484 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1194 2.0932 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7894 2.3410 -0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7834 1.4636 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 3.2080 -1.0598 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5891 4.1778 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5244 -1.3388 -0.5803 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4082 -2.0839 -1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 -3.4012 -0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7612 -4.0481 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 -3.3567 -2.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 -2.0433 -3.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 -1.4619 -2.2849 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.1076 -5.4743 -1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2919 1.7937 5.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8259 2.5299 6.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 3.1465 4.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 1.7086 5.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 0.3567 5.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 -0.1654 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1938 -0.0092 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0147 1.7884 -2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 0.5312 -4.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3266 -0.9744 -4.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5009 -1.5434 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7228 -0.8054 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4697 0.7349 0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 3.2301 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.7020 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8886 3.5353 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3647 4.9342 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 4.6823 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2825 -1.9634 -0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 -3.9335 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -3.8318 -3.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 -1.4349 -3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8216 -0.4883 -2.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4303 -6.1438 -1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 -5.6675 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 -5.6999 -1.7184 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 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 5 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 20 23 1 0 23 24 1 0 16 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 28 32 1 0 7 3 1 0 15 11 1 0 22 17 1 0 31 26 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 4 38 1 0 8 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 16 43 1 1 18 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 25 51 1 0 27 52 1 0 29 53 1 0 30 54 1 0 31 55 1 0 32 56 1 0 32 57 1 0 32 58 1 0 M CHG 1 31 1 M END