@MOLECULE (7alpha)-7-{[(4ar,5r,8s,8ar)-5-hydroxy-8-isopropyl-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl]methyl}abieta-8(14),9(11),12-trien-12-ol 91 95 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6154 -3.0410 1.3480 O.3 1 UNL1111111111 -0.5838 2 O 6.5683 -0.5695 -1.0717 O.3 1 UNL1111111111 -0.4790 3 C 1.2223 1.8111 0.4411 C.3 1 UNL1111111111 -0.1348 4 C 2.7663 1.9302 0.5461 C.3 1 UNL1111111111 0.0710 5 C 0.4234 3.1210 0.6673 C.3 1 UNL1111111111 0.1093 6 C 0.7525 0.6612 1.3374 C.3 1 UNL1111111111 -0.2957 7 C 1.2542 -0.6824 0.7862 C.3 1 UNL1111111111 -0.0868 8 C 3.2252 3.0550 -0.4069 C.3 1 UNL1111111111 -0.2870 9 C 1.0037 4.2341 -0.2363 C.3 1 UNL1111111111 -0.2980 10 C 3.3774 0.5931 0.1465 C.ar 1 UNL1111111111 0.0324 11 C -3.8143 -1.7507 0.3990 C.3 1 UNL1111111111 -0.1798 12 C -3.4157 -0.3867 -0.2066 C.3 1 UNL1111111111 -0.1158 13 C 2.5192 4.3780 -0.0965 C.3 1 UNL1111111111 -0.2615 14 C 2.6843 -0.6130 0.3188 C.ar 1 UNL1111111111 -0.0902 15 C -4.3355 -0.0705 -1.4122 C.3 1 UNL1111111111 -0.1299 16 C 0.3795 -1.1709 -0.3970 C.3 1 UNL1111111111 -0.2966 17 C -5.2816 -1.7401 0.8777 C.3 1 UNL1111111111 0.3222 18 C 3.3034 2.1959 1.9633 C.3 1 UNL1111111111 -0.4543 19 C 0.3858 3.5820 2.1288 C.3 1 UNL1111111111 -0.4643 20 C -1.0384 2.8939 0.2153 C.3 1 UNL1111111111 -0.4726 21 C -1.0713 -1.2491 -0.0273 C.2 1 UNL1111111111 0.0211 22 C -2.8428 -2.1046 1.5308 C.3 1 UNL1111111111 -0.2708 23 C -5.8035 -0.0714 -0.9459 C.3 1 UNL1111111111 -0.2729 24 C -6.1989 -1.4075 -0.3159 C.3 1 UNL1111111111 -0.3446 25 C -1.9633 -0.4107 -0.5698 C.2 1 UNL1111111111 -0.2322 26 C -1.4413 -2.3246 0.9473 C.3 1 UNL1111111111 -0.2824 27 C -3.9686 1.2694 -2.0971 C.3 1 UNL1111111111 -0.0718 28 C 4.6896 0.5574 -0.3234 C.ar 1 UNL1111111111 -0.2672 29 C 3.3181 -1.8275 0.0415 C.ar 1 UNL1111111111 -0.1178 30 C -5.5528 -0.8531 2.0920 C.3 1 UNL1111111111 -0.4673 31 C 4.6257 -1.8853 -0.4339 C.ar 1 UNL1111111111 -0.1650 32 C 5.2900 -0.6677 -0.6144 C.ar 1 UNL1111111111 0.2604 33 C -4.7009 1.4045 -3.4395 C.3 1 UNL1111111111 -0.4555 34 C -4.2564 2.4924 -1.2204 C.3 1 UNL1111111111 -0.4520 35 C 5.2875 -3.1988 -0.7373 C.3 1 UNL1111111111 -0.0463 36 C 4.5136 -3.9426 -1.8347 C.3 1 UNL1111111111 -0.4473 37 C 5.3840 -4.0522 0.5348 C.3 1 UNL1111111111 -0.4477 38 H 1.0140 1.5181 -0.6251 H 1 UNL1111111111 0.1458 39 H -0.3534 0.6455 1.4103 H 1 UNL1111111111 0.1540 40 H 1.1107 0.8026 2.3726 H 1 UNL1111111111 0.1404 41 H 1.1843 -1.4360 1.6117 H 1 UNL1111111111 0.1384 42 H 3.0263 2.7557 -1.4534 H 1 UNL1111111111 0.1431 43 H 4.3191 3.2008 -0.3326 H 1 UNL1111111111 0.1389 44 H 0.5108 5.1953 -0.0026 H 1 UNL1111111111 0.1315 45 H 0.7542 4.0162 -1.2925 H 1 UNL1111111111 0.1385 46 H -3.7218 -2.5276 -0.3996 H 1 UNL1111111111 0.1408 47 H -3.5594 0.4101 0.5680 H 1 UNL1111111111 0.1473 48 H 2.7806 4.7228 0.9210 H 1 UNL1111111111 0.1360 49 H 2.8860 5.1661 -0.7811 H 1 UNL1111111111 0.1285 50 H -4.2003 -0.8828 -2.1668 H 1 UNL1111111111 0.1375 51 H 0.7362 -2.1630 -0.7388 H 1 UNL1111111111 0.1460 52 H 0.5356 -0.4963 -1.2635 H 1 UNL1111111111 0.1532 53 H 2.9429 3.1488 2.3621 H 1 UNL1111111111 0.1485 54 H 3.0052 1.4065 2.6618 H 1 UNL1111111111 0.1494 55 H 4.3993 2.2326 1.9644 H 1 UNL1111111111 0.1487 56 H 1.3744 3.8924 2.4841 H 1 UNL1111111111 0.1457 57 H 0.0317 2.7867 2.7920 H 1 UNL1111111111 0.1455 58 H -0.2837 4.4392 2.2559 H 1 UNL1111111111 0.1391 59 H -1.0911 2.5502 -0.8225 H 1 UNL1111111111 0.1437 60 H -1.6207 3.8171 0.2883 H 1 UNL1111111111 0.1415 61 H -1.5365 2.1402 0.8350 H 1 UNL1111111111 0.1495 62 H -3.1917 -3.0076 2.0659 H 1 UNL1111111111 0.1475 63 H -2.8154 -1.2954 2.2837 H 1 UNL1111111111 0.1420 64 H -6.4682 0.1451 -1.8031 H 1 UNL1111111111 0.1380 65 H -5.9718 0.7468 -0.2202 H 1 UNL1111111111 0.1428 66 H -7.2521 -1.3820 0.0199 H 1 UNL1111111111 0.1519 67 H -6.1474 -2.2164 -1.0668 H 1 UNL1111111111 0.1401 68 H -1.6544 0.3419 -1.2932 H 1 UNL1111111111 0.1500 69 H -1.3944 -3.3085 0.4355 H 1 UNL1111111111 0.1451 70 H -0.7017 -2.3822 1.7710 H 1 UNL1111111111 0.1472 71 H -2.8692 1.2510 -2.3153 H 1 UNL1111111111 0.1338 72 H 5.2724 1.4658 -0.4634 H 1 UNL1111111111 0.1772 73 H 2.7755 -2.7600 0.2013 H 1 UNL1111111111 0.1513 74 H -6.6214 -0.8497 2.3397 H 1 UNL1111111111 0.1572 75 H -5.0280 -1.2361 2.9769 H 1 UNL1111111111 0.1612 76 H -5.2349 0.1785 1.9186 H 1 UNL1111111111 0.1503 77 H -5.4551 -3.7194 0.6706 H 1 UNL1111111111 0.3114 78 H -5.7840 1.4901 -3.3060 H 1 UNL1111111111 0.1427 79 H -4.3689 2.2980 -3.9790 H 1 UNL1111111111 0.1409 80 H -4.5145 0.5404 -4.0860 H 1 UNL1111111111 0.1419 81 H -5.3305 2.6504 -1.0813 H 1 UNL1111111111 0.1423 82 H -3.8516 3.4035 -1.6751 H 1 UNL1111111111 0.1414 83 H -3.8034 2.3901 -0.2279 H 1 UNL1111111111 0.1461 84 H 6.3318 -3.0265 -1.1131 H 1 UNL1111111111 0.1153 85 H 6.9644 -1.4569 -1.2615 H 1 UNL1111111111 0.3229 86 H 3.5049 -4.2133 -1.5037 H 1 UNL1111111111 0.1492 87 H 5.0242 -4.8661 -2.1256 H 1 UNL1111111111 0.1425 88 H 4.4049 -3.3207 -2.7311 H 1 UNL1111111111 0.1495 89 H 5.9053 -3.5121 1.3338 H 1 UNL1111111111 0.1496 90 H 5.9269 -4.9842 0.3489 H 1 UNL1111111111 0.1426 91 H 4.3925 -4.3183 0.9177 H 1 UNL1111111111 0.1493 @BOND 1 1 17 1 2 1 77 1 3 2 32 1 4 2 85 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 38 1 9 4 8 1 10 4 10 1 11 4 18 1 12 5 9 1 13 5 19 1 14 5 20 1 15 6 7 1 16 6 39 1 17 6 40 1 18 7 14 1 19 7 16 1 20 7 41 1 21 8 13 1 22 8 42 1 23 8 43 1 24 9 13 1 25 9 44 1 26 9 45 1 27 10 14 ar 28 10 28 ar 29 11 12 1 30 11 17 1 31 11 22 1 32 11 46 1 33 12 15 1 34 12 25 1 35 12 47 1 36 13 48 1 37 13 49 1 38 14 29 ar 39 15 23 1 40 15 27 1 41 15 50 1 42 16 21 1 43 16 51 1 44 16 52 1 45 17 24 1 46 17 30 1 47 18 53 1 48 18 54 1 49 18 55 1 50 19 56 1 51 19 57 1 52 19 58 1 53 20 59 1 54 20 60 1 55 20 61 1 56 21 25 2 57 21 26 1 58 22 26 1 59 22 62 1 60 22 63 1 61 23 24 1 62 23 64 1 63 23 65 1 64 24 66 1 65 24 67 1 66 25 68 1 67 26 69 1 68 26 70 1 69 27 33 1 70 27 34 1 71 27 71 1 72 28 32 ar 73 28 72 1 74 29 31 ar 75 29 73 1 76 30 74 1 77 30 75 1 78 30 76 1 79 31 32 ar 80 31 35 1 81 33 78 1 82 33 79 1 83 33 80 1 84 34 81 1 85 34 82 1 86 34 83 1 87 35 36 1 88 35 37 1 89 35 84 1 90 36 86 1 91 36 87 1 92 36 88 1 93 37 89 1 94 37 90 1 95 37 91 1