HMDB0013620 RDKit 3D 19(20)-EpDPE 57 57 0 0 0 0 0 0 0 0999 V2000 -5.1613 3.2468 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 2.2140 -1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9459 0.9318 -1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1414 1.1548 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 0.1205 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3885 0.3046 1.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9357 0.1979 1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 -0.7045 1.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 -1.7189 2.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 -3.1325 2.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0719 -3.7402 1.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -3.1706 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1381 -3.6613 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9401 -2.9518 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9361 -1.4837 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6087 -1.1085 -1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6967 -0.4032 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3493 0.0731 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7273 -0.5052 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7805 0.2519 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7299 1.7153 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 2.2727 -1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4014 3.7542 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9481 4.3271 -2.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8085 4.4854 -0.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9561 3.3840 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6443 2.7273 -2.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 4.1758 -2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8777 2.6183 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3404 2.1325 -1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2524 0.5278 -2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6353 -0.8663 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7786 -0.4264 2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5905 1.3430 1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4171 0.9079 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1327 -0.6274 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -1.5764 3.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -1.5612 3.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -3.8383 3.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -4.8796 1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 -2.1315 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 -3.7171 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 -4.7742 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 -3.5152 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1432 -1.1343 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 -0.9578 0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1419 -1.4535 -2.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -0.1252 -2.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3349 1.1817 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9039 -0.2338 0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7844 -1.6155 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7704 -0.2633 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4485 2.0039 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 2.2035 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 1.8571 -2.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 1.9268 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9066 4.2378 0.1565 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 5 3 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 25 57 1 0 M END