RDKit 3D 46 47 0 0 0 0 0 0 0 0999 V2000 4.5851 0.4006 2.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -0.6738 1.8798 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4961 -0.5415 1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 0.6987 0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 0.8489 0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2362 2.2013 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3343 3.2467 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 2.5848 0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -0.2237 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4639 -1.4806 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -1.6294 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 -2.9837 1.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5123 -2.4855 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 -3.6106 0.4794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 -1.8530 -1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6029 -2.4945 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 -1.9696 -2.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 -0.4703 -0.5117 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0222 0.4688 -1.2143 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 1.0021 -0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 2.0264 -1.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7781 0.5269 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -0.0293 2.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 0.8823 3.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7285 1.1163 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5653 1.5908 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0942 2.1814 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 4.1301 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 2.8992 -0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 3.4525 1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 1.7450 1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6468 3.2831 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6588 3.1522 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7892 -3.7839 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0155 -3.1668 2.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3392 -3.0116 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -3.3085 -1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 -1.7718 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8688 -2.9981 -0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 -1.3111 -2.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 -3.0170 -2.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0309 -1.9184 -3.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 -0.6856 0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4838 2.1816 -2.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0137 1.7774 -1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8586 3.0212 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 5 9 2 0 9 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 18 15 1 0 15 16 1 0 15 17 1 0 15 13 1 0 13 14 2 0 13 10 1 0 10 11 2 0 11 12 1 0 11 3 1 0 10 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 8 33 1 0 18 43 1 1 21 44 1 0 21 45 1 0 21 46 1 0 16 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 17 42 1 0 12 34 1 0 12 35 1 0 12 36 1 0 M END