RDKit 3D 48 52 0 0 0 0 0 0 0 0999 V2000 3.0677 1.0235 2.6253 C 0 0 0 0 0 3 0 0 0 0 0 0 2.3901 0.6369 1.7710 N 0 0 0 0 0 4 0 0 0 0 0 0 1.5740 0.1414 0.7357 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1207 -1.2596 1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4365 -1.8195 2.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2752 -1.9501 0.0811 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3414 -1.4157 -1.3057 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8718 -0.8702 -1.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5251 -0.5610 -0.4092 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9319 -0.2605 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8421 -1.0378 -0.9863 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1145 1.1175 -0.3563 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3255 1.8841 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8821 1.6784 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 2.9754 0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 3.2688 0.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 2.2611 0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 0.9564 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 0.6858 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2177 -1.7745 0.3949 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9471 -2.9593 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4424 -1.5967 1.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4275 -0.4782 -1.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 -0.0737 -2.7135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 0.0088 -0.5511 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4054 -1.1096 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 1.2395 -0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 1.4691 -0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 -3.0379 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 -2.3011 -1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6191 2.4054 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 2.6840 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1757 1.2498 -0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3131 3.7591 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0492 4.2843 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6143 2.5115 1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -3.8569 -0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -3.2236 0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1494 -2.8620 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -0.5990 2.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8924 -2.4105 2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 -1.7703 2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8869 -2.0787 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9192 -1.0394 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1293 -1.0102 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6211 1.9636 -1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7718 0.7820 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 2.3697 -0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 3 2 1 1 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 9 8 1 6 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 9 20 1 0 20 21 1 6 20 22 1 0 7 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 6 27 28 2 3 18 3 1 0 25 3 1 0 20 6 1 0 19 9 1 0 19 14 1 0 6 29 1 6 7 30 1 6 13 31 1 0 13 32 1 0 13 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 21 37 1 0 21 38 1 0 21 39 1 0 22 40 1 0 22 41 1 0 22 42 1 0 26 43 1 0 26 44 1 0 26 45 1 0 27 46 1 0 28 47 1 0 28 48 1 0 M CHG 2 1 -1 2 1 M END