RDKit 3D 48 50 0 0 0 0 0 0 0 0999 V2000 5.6222 -0.5402 -0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4665 -0.3540 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 0.4145 1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 0.9178 2.3354 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8775 0.4748 1.8265 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 0.1260 0.6226 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1401 -0.8731 0.0194 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9602 -0.9869 -1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 -1.7948 -1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 -0.9710 -1.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1418 -0.5842 -2.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 -0.5254 -0.1264 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8725 -0.4710 1.0107 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2067 0.4454 1.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 0.3569 3.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 1.4935 1.1315 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4704 2.4945 0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 0.7540 -0.1503 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2516 0.4525 -0.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 0.9943 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8776 1.8128 -1.7311 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6757 0.6173 -0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8212 -0.8567 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1139 1.0333 0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6466 -1.1311 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5296 -0.1148 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 1.0553 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 -1.8561 0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8036 -1.5864 -1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 0.0135 -1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 -2.1949 -2.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 -2.6279 -0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 0.0189 -2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1923 -0.8464 -3.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 -1.3622 0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0532 -1.4756 1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3215 1.0570 3.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7063 -0.4820 3.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3312 1.9291 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3401 2.9578 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6681 1.4191 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 1.1367 -1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7535 -1.1990 -0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9696 -1.4530 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8837 -1.0596 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8663 2.1071 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6201 0.3906 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2114 0.8737 0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 23 22 1 0 22 24 1 0 22 20 1 0 20 21 2 0 20 19 1 0 19 18 1 0 18 16 1 0 16 17 1 0 16 14 1 0 14 15 2 3 14 13 1 0 13 6 1 0 6 5 1 0 5 3 1 0 3 4 2 0 3 2 1 0 2 1 2 3 2 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 10 12 1 0 12 18 1 0 12 13 1 0 7 6 1 0 23 43 1 0 23 44 1 0 23 45 1 0 22 42 1 0 24 46 1 0 24 47 1 0 24 48 1 0 18 41 1 6 16 39 1 1 17 40 1 0 15 37 1 0 15 38 1 0 13 36 1 1 6 27 1 6 1 25 1 0 1 26 1 0 7 28 1 1 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 11 34 1 0 12 35 1 1 M END