RDKit 3D 48 51 0 0 0 0 0 0 0 0999 V2000 -0.0126 1.2825 -1.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 1.9958 -0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 1.0841 -0.0999 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 0.2110 0.9824 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7028 -0.3275 1.6634 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 -0.9178 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -1.8838 1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5607 -2.4419 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7096 -1.9829 -0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8742 -0.9858 -1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -0.4517 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 0.6482 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 1.1387 -2.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4841 -3.5036 1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4097 -3.9322 0.3654 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 -3.8867 2.3167 O 0 0 0 0 0 1 0 0 0 0 0 0 0.6640 1.0993 2.3162 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 0.0286 2.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 0.4966 1.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 1.8489 1.5308 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1056 2.4313 0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2056 3.6488 0.6495 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 1.4952 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0659 1.9648 -0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9082 1.0463 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6913 -0.3370 -1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5926 -0.7779 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7382 0.1277 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6615 -0.3608 0.9592 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6297 -1.3289 -1.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3945 -2.5632 -1.6852 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5882 -0.8475 -2.5535 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5799 0.5376 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4769 0.7643 -2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7203 2.0037 -2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5493 2.7230 -1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4965 2.5836 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -0.5924 0.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 -0.9236 2.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4415 -2.2250 2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4995 -2.4012 -1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0212 -0.6211 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 0.0945 3.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5456 -1.0177 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 2.4780 1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2511 3.0295 -0.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7524 1.3959 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 -1.8478 -0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 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 8 14 1 0 14 15 2 0 14 16 1 0 4 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 26 30 1 0 30 31 2 0 30 32 1 0 12 3 1 0 11 6 1 0 29 19 2 0 28 23 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 6 5 39 1 0 7 40 1 0 9 41 1 0 10 42 1 0 18 43 1 0 18 44 1 0 20 45 1 0 24 46 1 0 25 47 1 0 27 48 1 0 M CHG 2 16 -1 32 -1 M END