@MOLECULE (3z,3as,5ar,6s,7r,9ar,9bs)-7-hydroxy-3-[(3e,5e,7s)-7-hydroxy-6,10-dimethyl-3,5,9-undecatrien-2-ylidene]-6-(hydroxymethyl)-3a,6,9a-trimethyldodecahydro-2h-cyclopenta[a]naphthalen-2-one 80 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.4776 -0.5510 -0.7701 C.3 1 UNL1 -0.1486 2 C -4.0210 -0.5994 -0.8637 C.3 1 UNL1 0.0793 3 C -4.5630 0.3859 0.2107 C.3 1 UNL1 -0.1516 4 C -1.8693 -0.0780 0.5949 C.3 1 UNL1 0.0908 5 C -6.0917 0.5776 0.2149 C.3 1 UNL1 -0.0440 6 C -6.7668 -0.8216 0.3207 C.3 1 UNL1 0.1446 7 C 6.6210 0.9107 -0.9534 C.3 1 UNL1 0.1386 8 C -6.6342 1.3192 -1.0172 C.3 1 UNL1 -0.0161 9 C 7.3204 0.0438 0.1096 C.3 1 UNL1 -0.3234 10 C -4.3453 -0.2198 -2.3224 C.3 1 UNL1 -0.4664 11 C -2.2241 -0.9505 1.8107 C.3 1 UNL1 -0.4582 12 C -6.4962 1.3774 1.4693 C.3 1 UNL1 -0.4519 13 C 0.5737 1.3722 1.9260 C.3 1 UNL1 -0.4635 14 C 5.2438 2.8099 0.0102 C.3 1 UNL1 -0.4485 15 C 9.0436 -1.8300 1.6416 C.3 1 UNL1 -0.4550 16 C 10.8334 -1.5671 -0.1257 C.3 1 UNL1 -0.4558 17 H -5.8102 -1.5081 1.9203 H 1 UNL1 0.3094 18 H -8.2330 2.0959 -0.1252 H 1 UNL1 0.3136 19 H 7.8342 2.4334 -0.5560 H 1 UNL1 0.3137 20 O 0.7178 -2.0345 -0.9172 O.2 1 UNL1 -0.4629 21 C -1.6700 -1.8029 -1.1291 C.3 1 UNL1 -0.3948 22 C -3.7173 1.6670 0.2106 C.3 1 UNL1 -0.2766 23 C -2.3117 1.3845 0.7975 C.3 1 UNL1 -0.2910 24 C -4.6407 -1.9746 -0.5606 C.3 1 UNL1 -0.2882 25 C -6.1731 -1.9040 -0.5919 C.3 1 UNL1 -0.3333 26 O -6.7202 -1.2745 1.6590 O.3 1 UNL1 -0.5627 27 O -8.0220 1.5593 -0.9136 O.3 1 UNL1 -0.5531 28 O 7.4393 1.9938 -1.3338 O.3 1 UNL1 -0.5489 29 C 0.6723 0.3048 0.8877 C.2 1 UNL1 0.1223 30 C 5.2827 1.3938 -0.4378 C.2 1 UNL1 -0.0009 31 C 9.4688 -1.2000 0.3566 C.2 1 UNL1 0.0440 32 C -0.3894 -0.3151 0.3496 C.2 1 UNL1 -0.2574 33 C -0.2866 -1.4514 -0.6048 C.2 1 UNL1 0.4912 34 C 2.0356 -0.0347 0.4731 C.2 1 UNL1 -0.1938 35 C 2.9058 0.8906 0.0413 C.2 1 UNL1 -0.1155 36 C 4.2422 0.5456 -0.4131 C.2 1 UNL1 -0.2277 37 C 8.6866 -0.3579 -0.3323 C.2 1 UNL1 -0.2272 38 H -2.1551 0.2463 -1.5037 H 1 UNL1 0.1529 39 H -4.3688 -0.1097 1.2095 H 1 UNL1 0.1506 40 H -2.0450 -2.7178 -0.6405 H 1 UNL1 0.1711 41 H -1.6587 -2.0162 -2.2094 H 1 UNL1 0.1692 42 H -3.6289 2.0708 -0.8133 H 1 UNL1 0.1385 43 H -4.2053 2.4607 0.8026 H 1 UNL1 0.1373 44 H -2.3080 1.6356 1.8728 H 1 UNL1 0.1383 45 H -1.5816 2.0642 0.3212 H 1 UNL1 0.1433 46 H -4.2926 -2.7212 -1.2995 H 1 UNL1 0.1443 47 H -4.2927 -2.3422 0.4216 H 1 UNL1 0.1355 48 H -7.8678 -0.7209 0.1531 H 1 UNL1 0.1559 49 H -3.7267 -0.7973 -3.0207 H 1 UNL1 0.1498 50 H -5.3852 -0.4318 -2.5916 H 1 UNL1 0.1490 51 H -4.1619 0.8421 -2.5145 H 1 UNL1 0.1445 52 H -6.5935 -2.8844 -0.2859 H 1 UNL1 0.1551 53 H -6.5280 -1.7447 -1.6278 H 1 UNL1 0.1498 54 H -2.1143 -2.0164 1.5827 H 1 UNL1 0.1513 55 H -1.5582 -0.7288 2.6537 H 1 UNL1 0.1517 56 H -3.2500 -0.7894 2.1602 H 1 UNL1 0.1434 57 H -6.1102 2.2766 -1.1783 H 1 UNL1 0.1172 58 H -6.5884 0.7119 -1.9406 H 1 UNL1 0.1469 59 H -6.2621 2.4407 1.3725 H 1 UNL1 0.1379 60 H -7.5694 1.2715 1.6779 H 1 UNL1 0.1561 61 H -5.9863 1.0032 2.3658 H 1 UNL1 0.1562 62 H 2.2869 -1.1000 0.5053 H 1 UNL1 0.1856 63 H -0.2690 1.2088 2.6126 H 1 UNL1 0.1633 64 H 1.4828 1.4262 2.5438 H 1 UNL1 0.1632 65 H 0.4387 2.3620 1.4652 H 1 UNL1 0.1643 66 H 2.6320 1.9463 -0.0068 H 1 UNL1 0.1455 67 H 4.3606 -0.4868 -0.7571 H 1 UNL1 0.1636 68 H 6.5107 0.3657 -1.9233 H 1 UNL1 0.1578 69 H 4.2474 3.1365 0.3346 H 1 UNL1 0.1518 70 H 5.9268 2.9837 0.8536 H 1 UNL1 0.1516 71 H 5.5533 3.4845 -0.8079 H 1 UNL1 0.1740 72 H 7.3755 0.5938 1.0720 H 1 UNL1 0.1504 73 H 6.6982 -0.8519 0.3232 H 1 UNL1 0.1630 74 H 9.0220 0.0906 -1.2677 H 1 UNL1 0.1655 75 H 8.1478 -2.4534 1.5014 H 1 UNL1 0.1573 76 H 9.8181 -2.4744 2.0758 H 1 UNL1 0.1497 77 H 8.7959 -1.0706 2.3970 H 1 UNL1 0.1537 78 H 11.6037 -1.2742 0.6019 H 1 UNL1 0.1545 79 H 10.9215 -2.6524 -0.2782 H 1 UNL1 0.1554 80 H 11.0907 -1.0863 -1.0790 H 1 UNL1 0.1535 @BOND 1 49 10 1 2 50 10 1 3 51 10 1 4 10 2 1 5 41 21 1 6 58 8 1 7 68 7 1 8 53 25 1 9 38 1 1 10 28 7 1 11 28 19 1 12 46 24 1 13 74 37 1 14 57 8 1 15 21 1 1 16 21 40 1 17 21 33 1 18 80 16 1 19 8 27 1 20 8 5 1 21 7 30 1 22 7 9 1 23 20 33 2 24 27 18 1 25 2 1 1 26 2 24 1 27 2 3 1 28 42 22 1 29 71 14 1 30 1 4 1 31 67 36 1 32 33 32 1 33 25 24 1 34 25 52 1 35 25 6 1 36 24 47 1 37 30 36 2 38 30 14 1 39 36 35 1 40 37 9 1 41 37 31 2 42 79 16 1 43 16 31 1 44 16 78 1 45 66 35 1 46 14 69 1 47 14 70 1 48 35 34 2 49 9 73 1 50 9 72 1 51 48 6 1 52 22 3 1 53 22 23 1 54 22 43 1 55 3 5 1 56 3 39 1 57 5 6 1 58 5 12 1 59 6 26 1 60 45 23 1 61 32 4 1 62 32 29 2 63 31 15 1 64 34 62 1 65 34 29 1 66 4 23 1 67 4 11 1 68 23 44 1 69 29 13 1 70 59 12 1 71 65 13 1 72 12 60 1 73 12 61 1 74 75 15 1 75 54 11 1 76 15 76 1 77 15 77 1 78 26 17 1 79 11 56 1 80 11 55 1 81 13 64 1 82 13 63 1