@MOLECULE (3beta,5alpha)-ergosta-7,9(11),24(28)-trien-3-ol 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.9916 -0.3839 0.8423 O.3 1 UNL1111111111 -0.5764 2 C 0.4235 -0.1300 -0.5112 C.3 1 UNL1111111111 0.0829 3 C -0.3082 1.0059 0.2707 C.3 1 UNL1111111111 -0.1471 4 C 1.9082 0.1960 -0.1860 C.3 1 UNL1111111111 -0.1399 5 C -3.8800 -0.4479 -0.1526 C.3 1 UNL1111111111 0.0688 6 C 0.5062 2.2624 -0.0639 C.3 1 UNL1111111111 -0.2760 7 C 1.9561 1.7511 -0.2196 C.3 1 UNL1111111111 -0.2762 8 C -1.7764 0.9906 -0.0044 C.2 1 UNL1111111111 -0.0197 9 C -0.1080 -1.4538 0.0618 C.3 1 UNL1111111111 -0.3041 10 C -2.3704 -0.3560 0.0010 C.2 1 UNL1111111111 -0.0489 11 C -4.5348 0.8484 0.3959 C.3 1 UNL1111111111 -0.1093 12 C 2.9628 -0.4269 -1.1160 C.3 1 UNL1111111111 -0.0905 13 C 0.1415 -0.0638 -2.0149 C.3 1 UNL1111111111 -0.4587 14 C -1.6054 -1.4613 0.0469 C.2 1 UNL1111111111 -0.1725 15 C -4.4496 -1.6402 0.6537 C.3 1 UNL1111111111 -0.2831 16 C -3.9760 2.0843 -0.3274 C.3 1 UNL1111111111 -0.2826 17 C -2.4927 2.1107 -0.1813 C.2 1 UNL1111111111 -0.1861 18 C -6.0617 0.8079 0.2938 C.3 1 UNL1111111111 -0.3152 19 C -4.1470 -0.6495 -1.6549 C.3 1 UNL1111111111 -0.4530 20 C -5.9785 -1.7070 0.5965 C.3 1 UNL1111111111 -0.3336 21 C -6.5923 -0.3902 1.0892 C.3 1 UNL1111111111 0.1697 22 C 4.3823 0.0742 -0.7730 C.3 1 UNL1111111111 -0.2760 23 C 2.9250 -1.9594 -1.0615 C.3 1 UNL1111111111 -0.4512 24 C 4.8180 -0.2485 0.6642 C.3 1 UNL1111111111 -0.2961 25 C 6.2286 0.2150 0.8828 C.2 1 UNL1111111111 0.0422 26 C 7.3037 -0.6771 0.3119 C.3 1 UNL1111111111 -0.0892 27 C 6.4953 1.3456 1.5408 C.2 1 UNL1111111111 -0.3821 28 C 8.1658 -1.2481 1.4457 C.3 1 UNL1111111111 -0.4447 29 C 8.1682 0.0997 -0.6900 C.3 1 UNL1111111111 -0.4445 30 H -0.1913 0.8054 1.3713 H 1 UNL1111111111 0.1507 31 H 2.1137 -0.1474 0.8541 H 1 UNL1111111111 0.1346 32 H 0.4223 3.0269 0.7215 H 1 UNL1111111111 0.1343 33 H 0.1515 2.7296 -0.9975 H 1 UNL1111111111 0.1406 34 H 2.3879 2.1122 -1.1661 H 1 UNL1111111111 0.1366 35 H 2.6025 2.1335 0.5843 H 1 UNL1111111111 0.1345 36 H 0.2572 -1.6039 1.0986 H 1 UNL1111111111 0.1505 37 H 0.2838 -2.3123 -0.5177 H 1 UNL1111111111 0.1488 38 H -4.2544 0.9297 1.4780 H 1 UNL1111111111 0.1421 39 H 2.7458 -0.1077 -2.1663 H 1 UNL1111111111 0.1363 40 H 0.6074 -0.8967 -2.5498 H 1 UNL1111111111 0.1416 41 H -0.9366 -0.1092 -2.2166 H 1 UNL1111111111 0.1559 42 H 0.5122 0.8693 -2.4519 H 1 UNL1111111111 0.1476 43 H -2.0397 -2.4587 0.0518 H 1 UNL1111111111 0.1432 44 H -4.1111 -1.5641 1.7038 H 1 UNL1111111111 0.1419 45 H -4.0339 -2.5910 0.2679 H 1 UNL1111111111 0.1400 46 H -4.4311 3.0050 0.0895 H 1 UNL1111111111 0.1451 47 H -4.2587 2.0724 -1.4001 H 1 UNL1111111111 0.1542 48 H -2.0335 3.0938 -0.2079 H 1 UNL1111111111 0.1465 49 H -6.5099 1.7420 0.6817 H 1 UNL1111111111 0.1501 50 H -6.3971 0.7400 -0.7582 H 1 UNL1111111111 0.1588 51 H -3.7626 -1.6167 -1.9956 H 1 UNL1111111111 0.1445 52 H -5.2166 -0.6148 -1.8844 H 1 UNL1111111111 0.1506 53 H -3.6519 0.1258 -2.2513 H 1 UNL1111111111 0.1506 54 H -6.3177 -1.9065 -0.4387 H 1 UNL1111111111 0.1570 55 H -6.3439 -2.5547 1.2023 H 1 UNL1111111111 0.1334 56 H -6.4429 -0.2537 2.1824 H 1 UNL1111111111 0.1107 57 H 4.4437 1.1675 -0.9347 H 1 UNL1111111111 0.1408 58 H 5.1027 -0.3688 -1.4877 H 1 UNL1111111111 0.1371 59 H 2.0330 -2.3529 -1.5613 H 1 UNL1111111111 0.1429 60 H 2.9174 -2.3281 -0.0307 H 1 UNL1111111111 0.1434 61 H 3.7956 -2.3960 -1.5627 H 1 UNL1111111111 0.1423 62 H 4.7318 -1.3357 0.8590 H 1 UNL1111111111 0.1479 63 H 4.1285 0.2342 1.3857 H 1 UNL1111111111 0.1493 64 H -8.4188 -1.1686 1.2264 H 1 UNL1111111111 0.3117 65 H 6.8310 -1.5353 -0.2316 H 1 UNL1111111111 0.1366 66 H 7.4921 1.7133 1.7165 H 1 UNL1111111111 0.1457 67 H 5.7373 1.9899 1.9526 H 1 UNL1111111111 0.1459 68 H 8.6855 -0.4536 1.9929 H 1 UNL1111111111 0.1485 69 H 8.9240 -1.9362 1.0585 H 1 UNL1111111111 0.1422 70 H 7.5530 -1.7967 2.1694 H 1 UNL1111111111 0.1441 71 H 7.5540 0.5327 -1.4874 H 1 UNL1111111111 0.1444 72 H 8.9155 -0.5506 -1.1558 H 1 UNL1111111111 0.1417 73 H 8.7025 0.9241 -0.2049 H 1 UNL1111111111 0.1481 @BOND 1 1 21 1 2 1 64 1 3 2 3 1 4 2 4 1 5 2 9 1 6 2 13 1 7 3 6 1 8 3 8 1 9 3 30 1 10 4 7 1 11 4 12 1 12 4 31 1 13 5 10 1 14 5 11 1 15 5 15 1 16 5 19 1 17 6 7 1 18 6 32 1 19 6 33 1 20 7 34 1 21 7 35 1 22 8 10 1 23 8 17 2 24 9 14 1 25 9 36 1 26 9 37 1 27 10 14 2 28 11 16 1 29 11 18 1 30 11 38 1 31 12 22 1 32 12 23 1 33 12 39 1 34 13 40 1 35 13 41 1 36 13 42 1 37 14 43 1 38 15 20 1 39 15 44 1 40 15 45 1 41 16 17 1 42 16 46 1 43 16 47 1 44 17 48 1 45 18 21 1 46 18 49 1 47 18 50 1 48 19 51 1 49 19 52 1 50 19 53 1 51 20 21 1 52 20 54 1 53 20 55 1 54 21 56 1 55 22 24 1 56 22 57 1 57 22 58 1 58 23 59 1 59 23 60 1 60 23 61 1 61 24 25 1 62 24 62 1 63 24 63 1 64 25 26 1 65 25 27 2 66 26 28 1 67 26 29 1 68 26 65 1 69 27 66 1 70 27 67 1 71 28 68 1 72 28 69 1 73 28 70 1 74 29 71 1 75 29 72 1 76 29 73 1