@MOLECULE 3-{(e)-[(3ar,4s,5s,6ar)-4-[(1e,3r)-3-cyclohexyl-3-hydroxy-1-propen-1-yl]-5-hydroxyhexahydro-2(1h)-pentalenylidene]methyl}benzoic acid 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7437 3.6794 -1.3539 O.3 1 UNL111111111 -0.5679 2 O 4.9815 0.2559 -2.7806 O.3 1 UNL111111111 -0.5616 3 O -7.2191 -0.7239 -1.8169 O.3 1 UNL111111111 -0.5615 4 O -5.2960 -1.1303 -2.8572 O.2 1 UNL111111111 -0.5011 5 C 0.9438 1.3252 1.3779 C.3 1 UNL111111111 -0.1032 6 C -0.2758 2.2470 1.6721 C.3 1 UNL111111111 -0.1022 7 C 1.4540 1.7759 -0.0070 C.3 1 UNL111111111 -0.1929 8 C -0.0696 3.5304 0.8555 C.3 1 UNL111111111 -0.3235 9 C 1.1487 3.2940 -0.0565 C.3 1 UNL111111111 0.1665 10 C 0.4078 -0.1154 1.3746 C.3 1 UNL111111111 -0.3071 11 C -1.5112 1.4287 1.2452 C.3 1 UNL111111111 -0.3102 12 C -1.0802 -0.0065 1.2241 C.2 1 UNL111111111 0.0842 13 C 2.9024 1.4866 -0.1876 C.2 1 UNL111111111 -0.1976 14 C -1.8977 -1.0546 1.0883 C.2 1 UNL111111111 -0.2915 15 C 3.3648 0.7841 -1.2237 C.2 1 UNL111111111 -0.1625 16 C 5.1793 -0.8864 -0.6445 C.3 1 UNL111111111 -0.1522 17 C 4.8113 0.4248 -1.3786 C.3 1 UNL111111111 0.1272 18 C 5.2061 -0.6619 0.8753 C.3 1 UNL111111111 -0.2762 19 C 4.1939 -2.0116 -0.9967 C.3 1 UNL111111111 -0.2659 20 C 5.6027 -1.9583 1.5935 C.3 1 UNL111111111 -0.2637 21 C 4.5885 -3.3095 -0.2822 C.3 1 UNL111111111 -0.2671 22 C -3.3463 -0.9205 0.9413 C.ar 1 UNL111111111 0.0061 23 C 4.6321 -3.0923 1.2367 C.3 1 UNL111111111 -0.2624 24 C -3.9226 -0.9857 -0.3285 C.ar 1 UNL111111111 -0.0993 25 C -4.1574 -0.7313 2.0642 C.ar 1 UNL111111111 -0.1251 26 C -5.3059 -0.8526 -0.4644 C.ar 1 UNL111111111 -0.1391 27 C -5.5368 -0.6017 1.9200 C.ar 1 UNL111111111 -0.1726 28 C -6.1173 -0.6599 0.6548 C.ar 1 UNL111111111 -0.0842 29 C -5.8718 -0.9245 -1.8188 C.2 1 UNL111111111 0.6418 30 H 1.7320 1.4541 2.1437 H 1 UNL111111111 0.1329 31 H -0.3363 2.4772 2.7543 H 1 UNL111111111 0.1310 32 H 0.8381 1.2811 -0.8011 H 1 UNL111111111 0.1721 33 H -0.9542 3.7747 0.2349 H 1 UNL111111111 0.1739 34 H 0.0848 4.4056 1.5047 H 1 UNL111111111 0.1416 35 H 2.0216 3.9153 0.2255 H 1 UNL111111111 0.1144 36 H 0.6658 -0.6369 2.3158 H 1 UNL111111111 0.1531 37 H 0.8629 -0.7189 0.5675 H 1 UNL111111111 0.1627 38 H -1.8659 1.7312 0.2377 H 1 UNL111111111 0.1729 39 H -2.3667 1.5957 1.9222 H 1 UNL111111111 0.1526 40 H 3.5570 1.8733 0.5917 H 1 UNL111111111 0.1467 41 H 1.4128 3.4188 -2.0169 H 1 UNL111111111 0.3215 42 H -1.5272 -2.0792 1.0726 H 1 UNL111111111 0.1690 43 H 2.7270 0.4156 -2.0297 H 1 UNL111111111 0.1717 44 H 6.2009 -1.1924 -0.9769 H 1 UNL111111111 0.1341 45 H 5.4876 1.2546 -1.0671 H 1 UNL111111111 0.1228 46 H 5.9115 0.1476 1.1351 H 1 UNL111111111 0.1289 47 H 4.2100 -0.3305 1.2273 H 1 UNL111111111 0.1470 48 H 3.1654 -1.7232 -0.7073 H 1 UNL111111111 0.1440 49 H 4.1693 -2.1611 -2.0927 H 1 UNL111111111 0.1445 50 H 5.6129 -1.7967 2.6871 H 1 UNL111111111 0.1300 51 H 6.6347 -2.2443 1.3186 H 1 UNL111111111 0.1348 52 H 5.5723 -3.6597 -0.6432 H 1 UNL111111111 0.1340 53 H 3.8696 -4.1118 -0.5303 H 1 UNL111111111 0.1331 54 H 4.9352 -4.0258 1.7449 H 1 UNL111111111 0.1287 55 H 3.6199 -2.8534 1.6119 H 1 UNL111111111 0.1365 56 H 5.8482 -0.1391 -2.9860 H 1 UNL111111111 0.3138 57 H -3.2957 -1.1364 -1.2117 H 1 UNL111111111 0.1806 58 H -3.7042 -0.6868 3.0533 H 1 UNL111111111 0.1546 59 H -6.1636 -0.4552 2.7976 H 1 UNL111111111 0.1544 60 H -7.1978 -0.5559 0.5392 H 1 UNL111111111 0.1716 61 H -7.6176 -0.7671 -2.7211 H 1 UNL111111111 0.3559 @BOND 1 1 9 1 2 1 41 1 3 2 17 1 4 2 56 1 5 3 29 1 6 3 61 1 7 4 29 2 8 5 6 1 9 5 7 1 10 5 10 1 11 5 30 1 12 6 8 1 13 6 11 1 14 6 31 1 15 7 9 1 16 7 13 1 17 7 32 1 18 8 9 1 19 8 33 1 20 8 34 1 21 9 35 1 22 10 12 1 23 10 36 1 24 10 37 1 25 11 12 1 26 11 38 1 27 11 39 1 28 12 14 2 29 13 15 2 30 13 40 1 31 14 22 1 32 14 42 1 33 15 17 1 34 15 43 1 35 16 17 1 36 16 18 1 37 16 19 1 38 16 44 1 39 17 45 1 40 18 20 1 41 18 46 1 42 18 47 1 43 19 21 1 44 19 48 1 45 19 49 1 46 20 23 1 47 20 50 1 48 20 51 1 49 21 23 1 50 21 52 1 51 21 53 1 52 22 24 ar 53 22 25 ar 54 23 54 1 55 23 55 1 56 24 26 ar 57 24 57 1 58 25 27 ar 59 25 58 1 60 26 28 ar 61 26 29 1 62 27 28 ar 63 27 59 1 64 28 60 1