@MOLECULE (3beta)-lanosta-8,24-diene-3,30-diol 79 82 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3152 -2.0769 2.3867 O.3 1 UNL111111 -0.5546 2 O 7.3487 0.3063 0.1357 O.3 1 UNL111111 -0.5691 3 C -1.1574 0.6542 0.1356 C.3 1 UNL111111 0.0765 4 C -0.3989 -0.6601 0.5336 C.3 1 UNL111111 -0.0305 5 C -2.6203 0.3143 0.5413 C.3 1 UNL111111 -0.1438 6 C 3.1201 0.7259 -0.2816 C.3 1 UNL111111 0.0723 7 C 1.0054 -0.5732 0.0171 C.2 1 UNL111111 -0.0570 8 C 3.7742 -0.6846 -0.1791 C.3 1 UNL111111 -0.1424 9 C 1.6751 0.5823 0.1730 C.2 1 UNL111111 -0.0666 10 C -1.3286 -1.7618 -0.0004 C.3 1 UNL111111 -0.2819 11 C -0.5060 1.8191 0.8845 C.3 1 UNL111111 -0.2996 12 C -2.7544 -1.1923 0.1711 C.3 1 UNL111111 -0.2768 13 C 1.0358 1.8178 0.7459 C.3 1 UNL111111 -0.2705 14 C 5.3074 -0.7541 -0.4076 C.3 1 UNL111111 0.0745 15 C 1.5635 -1.8037 -0.6195 C.3 1 UNL111111 -0.2796 16 C 3.0152 -1.6551 -1.0920 C.3 1 UNL111111 -0.2738 17 C -0.2981 -0.8436 2.0746 C.3 1 UNL111111 -0.0079 18 C 3.8981 1.6921 0.6415 C.3 1 UNL111111 -0.2858 19 C -3.7325 1.1568 -0.1134 C.3 1 UNL111111 -0.0886 20 C -1.0623 0.9086 -1.3772 C.3 1 UNL111111 -0.4607 21 C 5.9769 0.3094 0.5035 C.3 1 UNL111111 0.1354 22 C 5.3916 1.7116 0.3167 C.3 1 UNL111111 -0.3334 23 C 3.0621 1.3036 -1.7050 C.3 1 UNL111111 -0.4538 24 C 5.8215 -2.1315 0.0642 C.3 1 UNL111111 -0.4645 25 C 5.7382 -0.5632 -1.8625 C.3 1 UNL111111 -0.4493 26 C -5.1110 0.6783 0.3910 C.3 1 UNL111111 -0.2788 27 C -3.5715 2.6474 0.2106 C.3 1 UNL111111 -0.4518 28 C -6.2371 1.1026 -0.5702 C.3 1 UNL111111 -0.2887 29 C -7.5157 0.4994 -0.1234 C.2 1 UNL111111 -0.1666 30 C -7.9545 -0.7588 -0.5768 C.2 1 UNL111111 -0.4077 31 C -9.2548 -1.3130 -0.0704 C.3 1 UNL111111 -0.3869 32 C -7.2816 -1.5055 -1.4621 C.3 1 UNL111111 0.3363 33 H -2.7156 0.4296 1.6452 H 1 UNL111111 0.1340 34 H 3.6087 -1.0164 0.8818 H 1 UNL111111 0.1387 35 H -1.1959 -2.7074 0.5522 H 1 UNL111111 0.1549 36 H -1.1229 -1.9878 -1.0582 H 1 UNL111111 0.1347 37 H -0.8990 2.7821 0.5088 H 1 UNL111111 0.1424 38 H -0.7899 1.7938 1.9523 H 1 UNL111111 0.1368 39 H -3.3316 -1.3216 -0.7581 H 1 UNL111111 0.1392 40 H -3.2999 -1.7361 0.9578 H 1 UNL111111 0.1357 41 H 1.3213 2.6854 0.1117 H 1 UNL111111 0.1460 42 H 1.4743 2.0168 1.7464 H 1 UNL111111 0.1443 43 H 0.9279 -2.0868 -1.4868 H 1 UNL111111 0.1503 44 H 1.4813 -2.6580 0.0868 H 1 UNL111111 0.1483 45 H 3.5064 -2.6457 -1.1038 H 1 UNL111111 0.1412 46 H 3.0441 -1.2973 -2.1379 H 1 UNL111111 0.1444 47 H -1.2907 -0.9369 2.5494 H 1 UNL111111 0.1419 48 H 0.2766 -0.0349 2.5556 H 1 UNL111111 0.1183 49 H 3.4939 2.7173 0.5486 H 1 UNL111111 0.1401 50 H 3.7470 1.3954 1.6971 H 1 UNL111111 0.1402 51 H -3.6868 1.0195 -1.2203 H 1 UNL111111 0.1371 52 H -0.0185 0.9978 -1.7025 H 1 UNL111111 0.1559 53 H -1.5678 1.8370 -1.6588 H 1 UNL111111 0.1427 54 H -1.5139 0.0943 -1.9524 H 1 UNL111111 0.1471 55 H 5.9200 -0.0016 1.5714 H 1 UNL111111 0.1126 56 H 5.5661 2.0592 -0.7195 H 1 UNL111111 0.1567 57 H 5.9147 2.4369 0.9654 H 1 UNL111111 0.1337 58 H 4.0591 1.4011 -2.1462 H 1 UNL111111 0.1508 59 H 2.4657 0.6673 -2.3688 H 1 UNL111111 0.1508 60 H 2.6015 2.2971 -1.7089 H 1 UNL111111 0.1417 61 H 5.4735 -2.3788 1.0706 H 1 UNL111111 0.1396 62 H 6.9203 -2.1390 0.0833 H 1 UNL111111 0.1617 63 H 5.5050 -2.9337 -0.6083 H 1 UNL111111 0.1433 64 H 5.4723 0.4271 -2.2462 H 1 UNL111111 0.1437 65 H 6.8312 -0.6491 -1.9521 H 1 UNL111111 0.1629 66 H 5.2893 -1.3131 -2.5203 H 1 UNL111111 0.1395 67 H -5.3071 1.0766 1.4030 H 1 UNL111111 0.1429 68 H -5.1294 -0.4227 0.5005 H 1 UNL111111 0.1436 69 H -3.4450 2.8130 1.2856 H 1 UNL111111 0.1444 70 H -2.7045 3.0788 -0.3006 H 1 UNL111111 0.1423 71 H -4.4489 3.2204 -0.1088 H 1 UNL111111 0.1423 72 H 1.2238 -2.1079 2.0236 H 1 UNL111111 0.3146 73 H 7.8343 1.0036 0.6096 H 1 UNL111111 0.3087 74 H -6.3154 2.2093 -0.5958 H 1 UNL111111 0.1480 75 H -5.9829 0.8053 -1.6078 H 1 UNL111111 0.1408 76 H -8.0992 1.0451 0.5982 H 1 UNL111111 0.1430 77 H -9.9453 -1.5417 -0.8940 H 1 UNL111111 0.1465 78 H -9.1065 -2.2282 0.5202 H 1 UNL111111 0.1490 79 H -9.7700 -0.5931 0.5825 H 1 UNL111111 0.1586 @BOND 1 74 28 1 2 71 27 1 3 75 28 1 4 76 29 1 5 28 29 1 6 28 26 1 7 77 31 1 8 29 30 2 9 70 27 1 10 79 31 1 11 27 69 1 12 27 19 1 13 30 31 1 14 30 32 1 15 31 78 1 16 51 19 1 17 53 20 1 18 19 26 1 19 19 5 1 20 26 67 1 21 26 68 1 22 37 11 1 23 20 54 1 24 20 52 1 25 20 3 1 26 60 23 1 27 41 13 1 28 5 3 1 29 5 33 1 30 5 12 1 31 11 3 1 32 11 38 1 33 11 13 1 34 39 12 1 35 3 4 1 36 59 23 1 37 23 58 1 38 23 6 1 39 13 42 1 40 13 9 1 41 12 40 1 42 12 10 1 43 49 18 1 44 36 10 1 45 9 6 1 46 9 7 2 47 56 22 1 48 4 10 1 49 4 7 1 50 4 17 1 51 6 18 1 52 6 8 1 53 10 35 1 54 64 25 1 55 18 22 1 56 18 50 1 57 7 15 1 58 46 16 1 59 43 15 1 60 22 57 1 61 22 21 1 62 15 16 1 63 15 44 1 64 47 17 1 65 48 17 1 66 17 1 1 67 66 25 1 68 25 65 1 69 25 14 1 70 16 8 1 71 16 45 1 72 8 14 1 73 8 34 1 74 14 21 1 75 14 24 1 76 21 2 1 77 21 55 1 78 73 2 1 79 1 72 1 80 24 63 1 81 24 62 1 82 24 61 1