@MOLECULE (5z)-5-[(3as,4r,5r,6as)-5-hydroxy-4-[(1e,3s)-3-hydroxy-1-octen-1-yl]hexahydro-2(1h)-pentalenylidene]pentanoic acid 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6275 -1.9362 -1.5141 O.3 1 UNL1111111111 -0.5606 2 O 1.0496 -4.1911 -1.7568 O.3 1 UNL1111111111 -0.5694 3 O 2.8782 3.5539 -0.8504 O.3 1 UNL1111111111 -0.5758 4 O 2.2358 1.4190 -0.8981 O.2 1 UNL1111111111 -0.5069 5 C -2.1670 -0.3804 1.4063 C.3 1 UNL1111111111 -0.1081 6 C -3.6623 0.0640 1.5276 C.3 1 UNL1111111111 -0.0991 7 C -2.0746 -1.1943 0.0956 C.3 1 UNL1111111111 -0.1625 8 C -4.4283 -0.6116 0.3743 C.3 1 UNL1111111111 -0.3599 9 C -3.5032 -1.7407 -0.1200 C.3 1 UNL1111111111 0.1610 10 C -1.3221 0.9020 1.3464 C.3 1 UNL1111111111 -0.3015 11 C -3.6602 1.6038 1.4453 C.3 1 UNL1111111111 -0.3065 12 C -2.2867 1.9832 0.9673 C.2 1 UNL1111111111 0.0366 13 C -1.0506 -2.2725 0.1685 C.2 1 UNL1111111111 -0.1467 14 C -2.0124 3.0951 0.2830 C.2 1 UNL1111111111 -0.2442 15 C -0.0237 -2.3246 -0.6825 C.2 1 UNL1111111111 -0.2216 16 C -0.6534 3.4376 -0.2288 C.3 1 UNL1111111111 -0.2654 17 C 1.0504 -3.3669 -0.5899 C.3 1 UNL1111111111 0.1564 18 C -0.3939 2.7277 -1.5681 C.3 1 UNL1111111111 -0.2431 19 C 2.4441 -2.7184 -0.5759 C.3 1 UNL1111111111 -0.3017 20 C 2.6223 -1.8598 0.6777 C.3 1 UNL1111111111 -0.2671 21 C 0.9769 3.1146 -2.1287 C.3 1 UNL1111111111 -0.3460 22 C 4.0357 -1.2667 0.7261 C.3 1 UNL1111111111 -0.2676 23 C 2.0466 2.5534 -1.2476 C.2 1 UNL1111111111 0.6537 24 C 4.2270 -0.4184 1.9911 C.3 1 UNL1111111111 -0.2491 25 C 5.6323 0.1842 2.0383 C.3 1 UNL1111111111 -0.4421 26 H -1.8725 -0.9997 2.2772 H 1 UNL1111111111 0.1369 27 H -4.0799 -0.2655 2.4991 H 1 UNL1111111111 0.1298 28 H -1.8551 -0.4987 -0.7551 H 1 UNL1111111111 0.1733 29 H -4.6129 0.0928 -0.4582 H 1 UNL1111111111 0.1640 30 H -5.4124 -0.9788 0.6925 H 1 UNL1111111111 0.1377 31 H -3.6846 -2.7037 0.3948 H 1 UNL1111111111 0.1142 32 H -0.8660 1.1261 2.3312 H 1 UNL1111111111 0.1541 33 H -0.4747 0.8007 0.6409 H 1 UNL1111111111 0.1670 34 H -4.4586 1.9896 0.7914 H 1 UNL1111111111 0.1499 35 H -3.8493 2.0494 2.4425 H 1 UNL1111111111 0.1509 36 H -1.1949 -3.0018 0.9629 H 1 UNL1111111111 0.1433 37 H -2.7869 3.8210 0.0410 H 1 UNL1111111111 0.1474 38 H -4.5208 -2.2476 -1.7470 H 1 UNL1111111111 0.3130 39 H 0.1109 -1.6017 -1.4886 H 1 UNL1111111111 0.1646 40 H 0.1285 3.1587 0.5073 H 1 UNL1111111111 0.1479 41 H -0.5537 4.5346 -0.3535 H 1 UNL1111111111 0.1422 42 H 0.9120 -4.0576 0.2704 H 1 UNL1111111111 0.1189 43 H -1.1856 2.9841 -2.2952 H 1 UNL1111111111 0.1480 44 H -0.4622 1.6255 -1.4327 H 1 UNL1111111111 0.1603 45 H 3.2129 -3.5109 -0.6340 H 1 UNL1111111111 0.1505 46 H 2.5837 -2.1083 -1.4895 H 1 UNL1111111111 0.1573 47 H 2.4271 -2.4567 1.5865 H 1 UNL1111111111 0.1295 48 H 1.8765 -1.0382 0.6756 H 1 UNL1111111111 0.1507 49 H 1.0690 4.2213 -2.2111 H 1 UNL1111111111 0.1783 50 H 1.1086 2.7182 -3.1581 H 1 UNL1111111111 0.1768 51 H 0.1501 -4.2614 -2.1238 H 1 UNL1111111111 0.3178 52 H 4.2087 -0.6454 -0.1731 H 1 UNL1111111111 0.1448 53 H 4.7912 -2.0709 0.6891 H 1 UNL1111111111 0.1320 54 H 4.0502 -1.0340 2.8919 H 1 UNL1111111111 0.1293 55 H 3.4700 0.3891 2.0194 H 1 UNL1111111111 0.1353 56 H 5.7653 0.7951 2.9375 H 1 UNL1111111111 0.1366 57 H 5.8241 0.8196 1.1697 H 1 UNL1111111111 0.1395 58 H 6.4011 -0.5937 2.0502 H 1 UNL1111111111 0.1423 59 H 3.6096 3.2654 -0.2563 H 1 UNL1111111111 0.3530 @BOND 1 1 9 1 2 1 38 1 3 2 17 1 4 2 51 1 5 3 23 1 6 3 59 1 7 4 23 2 8 5 6 1 9 5 7 1 10 5 10 1 11 5 26 1 12 6 8 1 13 6 11 1 14 6 27 1 15 7 9 1 16 7 13 1 17 7 28 1 18 8 9 1 19 8 29 1 20 8 30 1 21 9 31 1 22 10 12 1 23 10 32 1 24 10 33 1 25 11 12 1 26 11 34 1 27 11 35 1 28 12 14 2 29 13 15 2 30 13 36 1 31 14 16 1 32 14 37 1 33 15 17 1 34 15 39 1 35 16 18 1 36 16 40 1 37 16 41 1 38 17 19 1 39 17 42 1 40 18 21 1 41 18 43 1 42 18 44 1 43 19 20 1 44 19 45 1 45 19 46 1 46 20 22 1 47 20 47 1 48 20 48 1 49 21 23 1 50 21 49 1 51 21 50 1 52 22 24 1 53 22 52 1 54 22 53 1 55 24 25 1 56 24 54 1 57 24 55 1 58 25 56 1 59 25 57 1 60 25 58 1