RDKit 3D 57 61 0 0 0 0 0 0 0 0999 V2000 -3.7970 -5.1980 -1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 -3.7002 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8474 -3.0557 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7843 -1.6622 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6558 -0.8803 -1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 -1.5350 -2.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 -2.9295 -2.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 0.6396 -0.9556 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8566 1.2720 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 1.6577 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1296 1.5780 1.1539 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 1.0909 -0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2128 0.9330 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6985 0.5729 -1.3829 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6749 0.4805 -1.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3632 0.4469 -2.3547 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 0.4205 0.0670 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0636 1.2306 1.0463 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5673 1.1645 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7335 0.2439 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5682 -0.9513 -0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9384 0.9202 -0.0894 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 0.3936 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -0.9284 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8169 -1.3655 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8781 -0.4840 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6401 0.8513 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 1.2735 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7831 1.8182 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4731 3.0227 0.2686 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 1.3550 -0.0794 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3097 2.1143 1.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 2.4715 3.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1228 2.8636 4.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2819 2.7976 3.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9907 2.2768 1.7034 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7804 -5.5828 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1834 -5.5398 -2.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -5.6225 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9246 -3.6364 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8077 -1.1978 1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -0.9665 -3.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -3.4097 -3.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3587 1.0378 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7204 0.6017 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1001 2.1867 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -0.6272 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 1.5148 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 2.0300 -0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 1.9062 0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -1.6414 -0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0197 -2.3946 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -0.8282 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1348 2.3148 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9695 2.4464 3.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0893 3.1759 5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2876 3.0334 3.6264 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 5 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 2 0 29 31 1 0 10 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 7 2 1 0 12 8 1 0 18 13 1 0 28 23 1 0 36 32 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 4 41 1 0 6 42 1 0 7 43 1 0 8 44 1 6 9 45 1 0 9 46 1 0 17 47 1 1 19 48 1 0 19 49 1 0 22 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 28 54 1 0 33 55 1 0 34 56 1 0 35 57 1 0 M CHG 1 31 -1 M END