RDKit 3D 43 45 0 0 0 0 0 0 0 0999 V2000 -4.3079 3.0218 1.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3368 2.1772 2.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.5378 1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4694 1.7356 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4469 2.5965 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3622 3.2329 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4892 1.0258 -0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7247 -0.4685 -0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0112 -0.9515 -1.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2384 -2.3294 -1.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -3.2436 -1.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9054 -2.7709 -0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 -1.4008 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 -0.9757 -0.5131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -1.1934 0.9877 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1577 -2.5998 1.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 -0.1493 1.8728 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9368 -0.8625 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0756 -1.5990 0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2554 -0.9320 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9948 0.3024 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3112 0.6288 -0.0538 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9537 1.3061 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3700 1.1626 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6404 1.9252 0.9309 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1104 0.3105 -0.6244 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.5906 -2.8149 -1.6603 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7593 -4.0405 -1.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4846 -1.9721 -1.8211 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.0190 3.5140 2.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2855 2.0134 3.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 0.8861 1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5035 2.7739 -1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1172 3.8934 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 1.4599 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 1.2436 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8335 -0.2450 -1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3419 -4.3172 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 -3.4778 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -2.5727 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2589 -1.3297 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9944 1.1699 -1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6037 2.3289 -0.4371 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