@MOLECULE methyl 5-{(3as,5r,6r,6as)-5-hydroxy-6-[(1e,3r)-3-hydroxy-1-octen-1-yl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}pentanoate 62 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8299 -2.1326 1.5073 O.3 1 UNL1111111111 -0.5516 2 O -1.8244 2.9685 -1.4745 O.3 1 UNL1111111111 -0.5793 3 O 2.3192 2.8448 0.1678 O.3 1 UNL1111111111 -0.4264 4 O 0.9368 1.7124 1.5320 O.2 1 UNL1111111111 -0.5102 5 C 1.2100 -1.6011 -1.4115 C.3 1 UNL1111111111 -0.1105 6 C 1.7461 -2.9730 -0.8724 C.3 1 UNL1111111111 -0.1022 7 C 0.1147 -1.1556 -0.4216 C.3 1 UNL1111111111 -0.1614 8 C 0.7940 -3.4324 0.2412 C.3 1 UNL1111111111 -0.3537 9 C -0.4095 -2.4695 0.2007 C.3 1 UNL1111111111 0.1646 10 C 2.4299 -0.6524 -1.4271 C.3 1 UNL1111111111 -0.3036 11 C 3.1327 -2.6587 -0.3834 C.2 1 UNL1111111111 -0.2398 12 C 3.5043 -1.4058 -0.6870 C.2 1 UNL1111111111 0.0220 13 C -0.9574 -0.3777 -1.1057 C.2 1 UNL1111111111 -0.1720 14 C 4.8107 -0.7674 -0.3814 C.3 1 UNL1111111111 -0.2910 15 C 4.6448 0.6023 0.2940 C.3 1 UNL1111111111 -0.2657 16 C -1.2987 0.8496 -0.7079 C.2 1 UNL1111111111 -0.1766 17 C -2.3699 1.6538 -1.3790 C.3 1 UNL1111111111 0.1569 18 C 3.8898 0.4896 1.6245 C.3 1 UNL1111111111 -0.2564 19 C -3.6518 1.6785 -0.5282 C.3 1 UNL1111111111 -0.3325 20 C 3.3031 1.8427 2.0461 C.3 1 UNL1111111111 -0.3481 21 C -4.2695 0.2798 -0.4422 C.3 1 UNL1111111111 -0.2695 22 C -5.5265 0.2927 0.4352 C.3 1 UNL1111111111 -0.2700 23 C 2.0452 2.0970 1.2660 C.2 1 UNL1111111111 0.6086 24 C -6.1161 -1.1196 0.5515 C.3 1 UNL1111111111 -0.2504 25 C -7.3626 -1.1192 1.4362 C.3 1 UNL1111111111 -0.4418 26 C 1.2226 3.1440 -0.6930 C.3 1 UNL1111111111 -0.1706 27 H 0.7941 -1.7169 -2.4292 H 1 UNL1111111111 0.1339 28 H 1.7874 -3.7239 -1.6869 H 1 UNL1111111111 0.1355 29 H 0.5674 -0.5527 0.4134 H 1 UNL1111111111 0.1884 30 H 1.2867 -3.3658 1.2298 H 1 UNL1111111111 0.1639 31 H 0.4916 -4.4801 0.1140 H 1 UNL1111111111 0.1348 32 H -1.2757 -2.8890 -0.3463 H 1 UNL1111111111 0.1108 33 H 2.7478 -0.4165 -2.4567 H 1 UNL1111111111 0.1477 34 H 2.2002 0.3179 -0.9501 H 1 UNL1111111111 0.1631 35 H 3.7007 -3.4026 0.1387 H 1 UNL1111111111 0.1476 36 H -1.4341 -0.8744 -1.9473 H 1 UNL1111111111 0.1390 37 H 5.4284 -1.4275 0.2618 H 1 UNL1111111111 0.1474 38 H 5.3912 -0.6474 -1.3220 H 1 UNL1111111111 0.1500 39 H -1.1108 -2.9253 1.9980 H 1 UNL1111111111 0.3069 40 H 4.1135 1.2944 -0.3915 H 1 UNL1111111111 0.1566 41 H 5.6381 1.0594 0.4591 H 1 UNL1111111111 0.1345 42 H -0.8296 1.3475 0.1473 H 1 UNL1111111111 0.1920 43 H -2.5774 1.3214 -2.4208 H 1 UNL1111111111 0.1165 44 H 3.0786 -0.2670 1.5467 H 1 UNL1111111111 0.1659 45 H 4.5646 0.1077 2.4131 H 1 UNL1111111111 0.1432 46 H -4.3771 2.3941 -0.9532 H 1 UNL1111111111 0.1342 47 H -3.4107 2.0523 0.4874 H 1 UNL1111111111 0.1622 48 H 3.0578 1.8368 3.1296 H 1 UNL1111111111 0.1741 49 H 4.0419 2.6556 1.8977 H 1 UNL1111111111 0.1717 50 H -3.5263 -0.4302 -0.0210 H 1 UNL1111111111 0.1585 51 H -4.5133 -0.0965 -1.4519 H 1 UNL1111111111 0.1310 52 H -2.5207 3.6218 -1.6606 H 1 UNL1111111111 0.3133 53 H -5.2814 0.6811 1.4421 H 1 UNL1111111111 0.1420 54 H -6.2797 0.9847 0.0172 H 1 UNL1111111111 0.1321 55 H -6.3651 -1.5111 -0.4521 H 1 UNL1111111111 0.1300 56 H -5.3581 -1.8109 0.9674 H 1 UNL1111111111 0.1375 57 H -7.1336 -0.7715 2.4499 H 1 UNL1111111111 0.1444 58 H -8.1416 -0.4644 1.0311 H 1 UNL1111111111 0.1406 59 H -7.7893 -2.1244 1.5218 H 1 UNL1111111111 0.1387 60 H 0.9305 2.2438 -1.2459 H 1 UNL1111111111 0.1458 61 H 0.3626 3.5253 -0.1288 H 1 UNL1111111111 0.1564 62 H 1.6301 3.9090 -1.3610 H 1 UNL1111111111 0.1409 @BOND 1 1 9 1 2 1 39 1 3 2 17 1 4 2 52 1 5 3 23 1 6 3 26 1 7 4 23 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 16 2 29 13 36 1 30 14 15 1 31 14 37 1 32 14 38 1 33 15 18 1 34 15 40 1 35 15 41 1 36 16 17 1 37 16 42 1 38 17 19 1 39 17 43 1 40 18 20 1 41 18 44 1 42 18 45 1 43 19 21 1 44 19 46 1 45 19 47 1 46 20 23 1 47 20 48 1 48 20 49 1 49 21 22 1 50 21 50 1 51 21 51 1 52 22 24 1 53 22 53 1 54 22 54 1 55 24 25 1 56 24 55 1 57 24 56 1 58 25 57 1 59 25 58 1 60 25 59 1 61 26 60 1 62 26 61 1 63 26 62 1