@MOLECULE 5-{(3as,5r,6r,6as)-5-hydroxy-6-[(1e,3s)-3-hydroxy-1-octen-1-yl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}-5-hexenoic acid 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1198 -3.6562 -0.8356 O.3 1 UNL1111111111 -0.5503 2 O 3.3832 -3.0214 -1.3177 O.3 1 UNL1111111111 -0.5530 3 O 1.3530 2.0378 -1.0798 O.3 1 UNL1111111111 -0.5803 4 O 1.4365 0.2858 -2.4466 O.2 1 UNL1111111111 -0.5381 5 C -1.4302 -0.8912 1.4789 C.3 1 UNL1111111111 -0.1052 6 C -2.9841 -1.0756 1.5631 C.3 1 UNL1111111111 -0.1152 7 C -0.9766 -1.8413 0.3497 C.3 1 UNL1111111111 -0.1908 8 C -3.3269 -2.3879 0.8474 C.3 1 UNL1111111111 -0.3482 9 C -1.9861 -3.0136 0.4034 C.3 1 UNL1111111111 0.1729 10 C -1.2103 0.5954 1.1237 C.3 1 UNL1111111111 -0.2956 11 C -3.5239 0.1548 0.8860 C.2 1 UNL1111111111 -0.1898 12 C -2.5633 1.0643 0.6451 C.2 1 UNL1111111111 -0.0288 13 C 0.4385 -2.2654 0.5390 C.2 1 UNL1111111111 -0.1664 14 C -2.7292 2.3637 0.0080 C.2 1 UNL1111111111 0.0272 15 C 1.3521 -2.1192 -0.4232 C.2 1 UNL1111111111 -0.2048 16 C -1.6353 2.8024 -0.9215 C.3 1 UNL1111111111 -0.2905 17 C 2.8147 -2.3662 -0.2027 C.3 1 UNL1111111111 0.1612 18 C -3.7983 3.1314 0.2486 C.2 1 UNL1111111111 -0.3487 19 C -1.5087 1.8421 -2.1136 C.3 1 UNL1111111111 -0.2410 20 C 3.5424 -1.0176 -0.0036 C.3 1 UNL1111111111 -0.3371 21 C 3.0508 -0.2897 1.2481 C.3 1 UNL1111111111 -0.2784 22 C -0.1865 2.0478 -2.8637 C.3 1 UNL1111111111 -0.3440 23 C 3.5586 1.1564 1.2808 C.3 1 UNL1111111111 -0.2677 24 C 2.8383 1.9591 2.3719 C.3 1 UNL1111111111 -0.2494 25 C 0.9268 1.3390 -2.1575 C.2 1 UNL1111111111 0.6634 26 C 3.2567 3.4281 2.3352 C.3 1 UNL1111111111 -0.4428 27 H -0.9439 -1.1503 2.4358 H 1 UNL1111111111 0.1384 28 H -3.3224 -1.1034 2.6203 H 1 UNL1111111111 0.1435 29 H -1.1021 -1.3278 -0.6360 H 1 UNL1111111111 0.1515 30 H -3.9765 -2.2164 -0.0286 H 1 UNL1111111111 0.1563 31 H -3.8879 -3.0760 1.4979 H 1 UNL1111111111 0.1478 32 H -1.6542 -3.8405 1.0641 H 1 UNL1111111111 0.1446 33 H -0.8883 1.1793 2.0048 H 1 UNL1111111111 0.1512 34 H -0.4177 0.7284 0.3675 H 1 UNL1111111111 0.1580 35 H -4.5682 0.2316 0.6504 H 1 UNL1111111111 0.1513 36 H 0.6822 -2.6689 1.5196 H 1 UNL1111111111 0.1466 37 H -2.2773 -3.0209 -1.5599 H 1 UNL1111111111 0.3132 38 H 1.0991 -1.7678 -1.4249 H 1 UNL1111111111 0.1692 39 H -1.8115 3.8336 -1.2866 H 1 UNL1111111111 0.1469 40 H -0.6735 2.8605 -0.3630 H 1 UNL1111111111 0.1744 41 H 3.0278 -3.0817 0.6225 H 1 UNL1111111111 0.1449 42 H -4.5913 2.8508 0.9235 H 1 UNL1111111111 0.1505 43 H -3.9581 4.0959 -0.2034 H 1 UNL1111111111 0.1474 44 H -1.6013 0.7899 -1.7753 H 1 UNL1111111111 0.1537 45 H -2.3602 1.9981 -2.8051 H 1 UNL1111111111 0.1484 46 H 4.6315 -1.2027 0.0535 H 1 UNL1111111111 0.1542 47 H 3.3925 -0.3943 -0.9073 H 1 UNL1111111111 0.1514 48 H 3.3804 -0.8276 2.1568 H 1 UNL1111111111 0.1421 49 H 1.9418 -0.3001 1.2850 H 1 UNL1111111111 0.1483 50 H -0.2662 1.6541 -3.9009 H 1 UNL1111111111 0.1769 51 H 0.0401 3.1309 -2.9612 H 1 UNL1111111111 0.1785 52 H 3.1951 -2.5274 -2.1420 H 1 UNL1111111111 0.3189 53 H 3.4147 1.6458 0.2939 H 1 UNL1111111111 0.1202 54 H 4.6514 1.1737 1.4517 H 1 UNL1111111111 0.1442 55 H 3.0594 1.5261 3.3659 H 1 UNL1111111111 0.1366 56 H 1.7410 1.8786 2.2457 H 1 UNL1111111111 0.1359 57 H 2.9932 3.8987 1.3808 H 1 UNL1111111111 0.1455 58 H 4.3375 3.5429 2.4723 H 1 UNL1111111111 0.1421 59 H 2.7636 4.0016 3.1281 H 1 UNL1111111111 0.1423 60 H 2.0740 1.5830 -0.5496 H 1 UNL1111111111 0.3664 @BOND 1 1 9 1 2 1 37 1 3 2 17 1 4 2 52 1 5 3 25 1 6 3 60 1 7 4 25 2 8 5 6 1 9 5 7 1 10 5 10 1 11 5 27 1 12 6 8 1 13 6 11 1 14 6 28 1 15 7 9 1 16 7 13 1 17 7 29 1 18 8 9 1 19 8 30 1 20 8 31 1 21 9 32 1 22 10 12 1 23 10 33 1 24 10 34 1 25 11 12 2 26 11 35 1 27 12 14 1 28 13 15 2 29 13 36 1 30 14 16 1 31 14 18 2 32 15 17 1 33 15 38 1 34 16 19 1 35 16 39 1 36 16 40 1 37 17 20 1 38 17 41 1 39 18 42 1 40 18 43 1 41 19 22 1 42 19 44 1 43 19 45 1 44 20 21 1 45 20 46 1 46 20 47 1 47 21 23 1 48 21 48 1 49 21 49 1 50 22 25 1 51 22 50 1 52 22 51 1 53 23 24 1 54 23 53 1 55 23 54 1 56 24 26 1 57 24 55 1 58 24 56 1 59 26 57 1 60 26 58 1 61 26 59 1