RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 3.6942 -1.9003 -1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8209 -2.4461 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7549 -1.5936 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5721 -0.2051 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4436 0.3290 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 -0.5106 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 0.0730 -1.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1465 0.5840 -0.9367 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7632 -0.3927 0.1590 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2422 0.4664 1.3128 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5105 1.9170 0.9299 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5535 1.8029 -0.1342 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 2.7789 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 2.3777 0.3998 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7048 3.4111 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0702 4.6241 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 4.4700 0.2589 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1659 -0.0083 1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8691 0.2983 2.4774 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4584 -0.9488 0.5683 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 -1.3534 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2169 -2.3952 -0.7587 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 -1.6230 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7928 -0.7333 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2063 -1.3154 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7595 -1.4616 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7996 -0.2152 2.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 1.0555 -2.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 0.2707 -2.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 2.1945 -2.5158 O 0 0 0 0 0 1 0 0 0 0 0 0 6.9341 -2.1617 0.6757 N 0 0 0 0 0 4 0 0 0 0 0 0 7.1262 -3.3825 0.5721 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6756 -1.3907 1.3029 O 0 0 0 0 0 1 0 0 0 0 0 0 2.9577 -2.5620 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9453 -3.5265 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 0.4703 0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2915 1.4082 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 0.8776 -2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -0.6883 -2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6131 -0.9699 0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 0.2079 2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 2.4105 1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 2.5865 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7451 3.2194 -0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 5.5610 -0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 -2.5568 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0192 -1.8753 1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7852 0.2680 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5289 -0.5875 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8679 -0.6481 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2302 -2.2914 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1809 -2.1746 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 -1.8424 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8808 0.0980 2.1413 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 6 7 1 0 8 7 1 6 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 10 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 8 28 1 0 28 29 2 0 28 30 1 0 3 31 1 0 31 32 2 0 31 33 1 0 6 1 1 0 12 8 1 0 21 9 1 0 17 13 1 0 1 34 1 0 2 35 1 0 4 36 1 0 5 37 1 0 7 38 1 0 7 39 1 0 9 40 1 1 10 41 1 1 11 42 1 1 12 43 1 0 15 44 1 0 16 45 1 0 23 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 25 50 1 0 25 51 1 0 26 52 1 0 26 53 1 0 27 54 1 0 M CHG 3 30 -1 31 1 33 -1 M END