@MOLECULE (3ar,5e,7s,10e,14e,16as)-2,7-dihydroxy-3-[(2s)-1-hydroxy-2-propanyl]-6,10,14,16a-tetramethyl-4,7,8,9,12,13,16,16a-octahydrocyclopenta[15]annulen-1(3ah)-one 67 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.7454 0.8516 0.1156 O.2 1 UNL1111111111 -0.4390 2 O -3.3675 1.1858 2.6607 O.2 1 UNL1111111111 -0.4398 3 O -2.6076 -2.2966 -1.8842 O.3 1 UNL1111111111 -0.5548 4 O 3.8731 3.2239 0.7789 O.3 1 UNL1111111111 -0.5556 5 C -1.3097 0.4973 1.5025 C.3 1 UNL1111111111 -0.0141 6 C -1.1065 0.4264 -0.0534 C.3 1 UNL1111111111 -0.1309 7 C -2.5079 0.4410 -0.6346 C.2 1 UNL1111111111 -0.0567 8 C -1.1737 -0.9093 2.1289 C.3 1 UNL1111111111 -0.2766 9 C -2.7896 0.8754 1.6558 C.2 1 UNL1111111111 0.4048 10 C -0.3108 1.5988 -0.6460 C.3 1 UNL1111111111 -0.2735 11 C -3.4163 0.7334 0.3155 C.2 1 UNL1111111111 0.0368 12 C -2.7468 0.1265 -2.0652 C.3 1 UNL1111111111 -0.1253 13 C -0.4465 1.5082 2.2376 C.3 1 UNL1111111111 -0.4401 14 C 0.1423 -1.5456 1.8271 C.2 1 UNL1111111111 -0.2296 15 C 1.1488 1.4960 -0.3609 C.2 1 UNL1111111111 -0.1712 16 C -3.4828 -1.2267 -2.1740 C.3 1 UNL1111111111 0.0012 17 C -3.5823 1.2266 -2.7279 C.3 1 UNL1111111111 -0.4456 18 C 2.0182 2.4973 -0.5390 C.2 1 UNL1111111111 -0.0723 19 C 0.2880 -2.7242 1.2055 C.2 1 UNL1111111111 0.0484 20 C 3.5002 2.3607 -0.2825 C.3 1 UNL1111111111 0.1415 21 C 1.6492 -3.3217 0.9988 C.3 1 UNL1111111111 -0.2857 22 C 3.9849 0.9422 0.0544 C.3 1 UNL1111111111 -0.3215 23 C 1.6231 3.8550 -1.0115 C.3 1 UNL1111111111 -0.4465 24 C -0.8581 -3.5396 0.7104 C.3 1 UNL1111111111 -0.4671 25 C 2.0651 -3.2893 -0.4851 C.3 1 UNL1111111111 -0.2564 26 C 3.9378 0.0375 -1.1868 C.3 1 UNL1111111111 -0.2901 27 C 3.6663 -1.3816 -0.7784 C.2 1 UNL1111111111 0.0279 28 C 2.4369 -1.9015 -0.8925 C.2 1 UNL1111111111 -0.2173 29 C 4.8398 -2.1361 -0.2502 C.3 1 UNL1111111111 -0.4520 30 H -0.5994 -0.5348 -0.3150 H 1 UNL1111111111 0.1737 31 H -2.0149 -1.5468 1.7833 H 1 UNL1111111111 0.1527 32 H -1.3028 -0.8341 3.2317 H 1 UNL1111111111 0.1606 33 H -0.7281 2.5610 -0.2810 H 1 UNL1111111111 0.1568 34 H -0.4601 1.6289 -1.7492 H 1 UNL1111111111 0.1537 35 H -1.7705 0.0394 -2.6086 H 1 UNL1111111111 0.1435 36 H 0.6200 1.2679 2.1470 H 1 UNL1111111111 0.1562 37 H -0.5862 2.5282 1.8608 H 1 UNL1111111111 0.1500 38 H -0.6932 1.5282 3.3093 H 1 UNL1111111111 0.1615 39 H 1.0050 -0.9781 2.1686 H 1 UNL1111111111 0.1473 40 H 1.4713 0.5136 -0.0056 H 1 UNL1111111111 0.1650 41 H -4.2746 -1.3352 -1.4075 H 1 UNL1111111111 0.1584 42 H -3.9148 -1.3793 -3.1771 H 1 UNL1111111111 0.1134 43 H -3.7479 1.0278 -3.7906 H 1 UNL1111111111 0.1400 44 H -4.5663 1.3232 -2.2461 H 1 UNL1111111111 0.1686 45 H -3.0908 2.2027 -2.6431 H 1 UNL1111111111 0.1496 46 H -5.1920 1.0795 0.9787 H 1 UNL1111111111 0.3369 47 H 4.0889 2.7795 -1.1360 H 1 UNL1111111111 0.1451 48 H 2.4143 -2.7971 1.6058 H 1 UNL1111111111 0.1462 49 H 1.6546 -4.3699 1.3633 H 1 UNL1111111111 0.1440 50 H 3.3867 0.5128 0.8794 H 1 UNL1111111111 0.1508 51 H 5.0180 1.0009 0.4498 H 1 UNL1111111111 0.1567 52 H 0.6397 4.1632 -0.6312 H 1 UNL1111111111 0.1521 53 H 1.5769 3.8945 -2.1089 H 1 UNL1111111111 0.1520 54 H 2.3408 4.6261 -0.6878 H 1 UNL1111111111 0.1650 55 H -0.5447 -4.4302 0.1531 H 1 UNL1111111111 0.1484 56 H -1.5105 -2.9589 0.0337 H 1 UNL1111111111 0.1819 57 H -1.4904 -3.8877 1.5395 H 1 UNL1111111111 0.1573 58 H -1.8341 -2.2891 -2.4787 H 1 UNL1111111111 0.3095 59 H 1.2384 -3.6699 -1.1176 H 1 UNL1111111111 0.1431 60 H 2.9056 -3.9919 -0.6511 H 1 UNL1111111111 0.1390 61 H 4.8903 0.1069 -1.7480 H 1 UNL1111111111 0.1468 62 H 3.1629 0.3954 -1.8962 H 1 UNL1111111111 0.1516 63 H 1.6080 -1.3128 -1.2819 H 1 UNL1111111111 0.1470 64 H 3.3080 3.0760 1.5616 H 1 UNL1111111111 0.3147 65 H 4.5694 -2.7818 0.5969 H 1 UNL1111111111 0.1547 66 H 5.6418 -1.4720 0.0983 H 1 UNL1111111111 0.1528 67 H 5.2697 -2.7837 -1.0281 H 1 UNL1111111111 0.1539 @BOND 1 1 11 1 2 1 46 1 3 2 9 2 4 3 16 1 5 3 58 1 6 4 20 1 7 4 64 1 8 5 6 1 9 5 8 1 10 5 9 1 11 5 13 1 12 6 7 1 13 6 10 1 14 6 30 1 15 7 11 2 16 7 12 1 17 8 14 1 18 8 31 1 19 8 32 1 20 9 11 1 21 10 15 1 22 10 33 1 23 10 34 1 24 12 16 1 25 12 17 1 26 12 35 1 27 13 36 1 28 13 37 1 29 13 38 1 30 14 19 2 31 14 39 1 32 15 18 2 33 15 40 1 34 16 41 1 35 16 42 1 36 17 43 1 37 17 44 1 38 17 45 1 39 18 20 1 40 18 23 1 41 19 21 1 42 19 24 1 43 20 22 1 44 20 47 1 45 21 25 1 46 21 48 1 47 21 49 1 48 22 26 1 49 22 50 1 50 22 51 1 51 23 52 1 52 23 53 1 53 23 54 1 54 24 55 1 55 24 56 1 56 24 57 1 57 25 28 1 58 25 59 1 59 25 60 1 60 26 27 1 61 26 61 1 62 26 62 1 63 27 28 2 64 27 29 1 65 28 63 1 66 29 65 1 67 29 66 1 68 29 67 1