@MOLECULE (24xi)-stigmastane-3,7,12,24-tetrol 85 88 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.5905 -1.8602 -1.2273 O.3 1 UNL1 -0.5663 2 O 3.1390 3.1576 0.0648 O.3 1 UNL1 -0.5780 3 O 8.5806 -0.3672 -0.4590 O.3 1 UNL1 -0.5812 4 O -6.3409 1.5600 -0.3900 O.3 1 UNL1 -0.5777 5 C -0.0099 -0.1709 0.4394 C.3 1 UNL1 0.0027 6 C 0.8712 0.8477 -0.3372 C.3 1 UNL1 -0.1363 7 C 2.3192 0.8774 0.1579 C.3 1 UNL1 -0.1943 8 C 2.9211 -0.5314 -0.0606 C.3 1 UNL1 -0.1225 9 C 4.4147 -0.6369 0.3989 C.3 1 UNL1 0.0649 10 C -1.4040 0.1186 -0.1894 C.3 1 UNL1 -0.1388 11 C 0.5807 -1.5667 0.1606 C.3 1 UNL1 0.1284 12 C 2.0570 -1.6294 0.5854 C.3 1 UNL1 -0.3040 13 C 5.0732 0.7701 0.3745 C.3 1 UNL1 -0.1052 14 C 0.0561 2.1474 -0.2736 C.3 1 UNL1 -0.2879 15 C 3.1083 1.9304 -0.6533 C.3 1 UNL1 0.1519 16 C -1.4133 1.6698 -0.3376 C.3 1 UNL1 -0.2726 17 C 4.5859 1.5691 -0.8382 C.3 1 UNL1 -0.3141 18 C 5.1054 -1.6107 -0.5886 C.3 1 UNL1 -0.2879 19 C -0.0320 0.0797 1.9497 C.3 1 UNL1 -0.4560 20 C -2.6446 -0.3877 0.5726 C.3 1 UNL1 -0.0963 21 C 6.6075 0.7180 0.4258 C.3 1 UNL1 -0.3511 22 C 4.5501 -1.1771 1.8318 C.3 1 UNL1 -0.4638 23 C 6.6250 -1.6461 -0.4406 C.3 1 UNL1 -0.2983 24 C 7.1768 -0.2306 -0.6330 C.3 1 UNL1 0.1741 25 C -3.9027 -0.0594 -0.2617 C.3 1 UNL1 -0.2787 26 C -2.5755 -1.8994 0.8189 C.3 1 UNL1 -0.4550 27 C -5.1980 -0.3632 0.4980 C.3 1 UNL1 -0.3364 28 C -6.4470 0.1509 -0.2519 C.3 1 UNL1 0.2996 29 C -7.7462 -0.2018 0.5305 C.3 1 UNL1 -0.1345 30 C -6.5076 -0.3226 -1.7195 C.3 1 UNL1 -0.2912 31 C -7.7005 0.2865 1.9832 C.3 1 UNL1 -0.4524 32 C -8.9727 0.4059 -0.1588 C.3 1 UNL1 -0.4446 33 C -6.5784 -1.8388 -1.8570 C.3 1 UNL1 -0.4370 34 H -0.3050 -1.7689 -1.6061 H 1 UNL1 0.3106 35 H 2.2444 3.4202 0.3468 H 1 UNL1 0.3123 36 H 9.0206 0.4999 -0.4649 H 1 UNL1 0.3127 37 H -6.3282 1.9975 0.4797 H 1 UNL1 0.3145 38 H 0.8976 0.5152 -1.4116 H 1 UNL1 0.1545 39 H 2.3689 1.1437 1.2366 H 1 UNL1 0.1552 40 H 2.8887 -0.7156 -1.1686 H 1 UNL1 0.1548 41 H -1.4270 -0.3308 -1.2104 H 1 UNL1 0.1263 42 H -0.0017 -2.3716 0.6602 H 1 UNL1 0.1131 43 H 2.1022 -1.5749 1.6881 H 1 UNL1 0.1468 44 H 2.4642 -2.6215 0.2987 H 1 UNL1 0.1540 45 H 4.7344 1.3223 1.2919 H 1 UNL1 0.1506 46 H 0.2969 2.8282 -1.1037 H 1 UNL1 0.1359 47 H 0.2487 2.6996 0.6597 H 1 UNL1 0.1328 48 H 2.6280 2.1388 -1.6351 H 1 UNL1 0.1140 49 H -2.0080 2.1392 0.4614 H 1 UNL1 0.1393 50 H -1.8822 1.9636 -1.2893 H 1 UNL1 0.1378 51 H 4.7326 1.0035 -1.7738 H 1 UNL1 0.1447 52 H 5.1703 2.5062 -0.9460 H 1 UNL1 0.1624 53 H 4.8497 -1.3285 -1.6294 H 1 UNL1 0.1395 54 H 4.6921 -2.6273 -0.4495 H 1 UNL1 0.1396 55 H -0.5120 1.0373 2.1845 H 1 UNL1 0.1529 56 H 0.9776 0.1164 2.3745 H 1 UNL1 0.1503 57 H -0.5849 -0.7015 2.4816 H 1 UNL1 0.1431 58 H -2.7118 0.1352 1.5549 H 1 UNL1 0.1367 59 H 6.9429 0.3854 1.4281 H 1 UNL1 0.1531 60 H 7.0217 1.7345 0.3023 H 1 UNL1 0.1391 61 H 3.9398 -0.6009 2.5346 H 1 UNL1 0.1419 62 H 5.5899 -1.1194 2.1764 H 1 UNL1 0.1503 63 H 4.2578 -2.2292 1.9053 H 1 UNL1 0.1442 64 H 7.0792 -2.3336 -1.1783 H 1 UNL1 0.1470 65 H 6.9272 -2.0390 0.5480 H 1 UNL1 0.1531 66 H 7.0010 0.1457 -1.6638 H 1 UNL1 0.1114 67 H -3.8730 -0.6266 -1.2106 H 1 UNL1 0.1409 68 H -3.9044 1.0114 -0.5498 H 1 UNL1 0.1549 69 H -2.4117 -2.4527 -0.1111 H 1 UNL1 0.1420 70 H -3.5057 -2.2741 1.2617 H 1 UNL1 0.1465 71 H -1.7715 -2.1587 1.5159 H 1 UNL1 0.1422 72 H -5.1467 0.1049 1.4985 H 1 UNL1 0.1414 73 H -5.3004 -1.4494 0.6730 H 1 UNL1 0.1454 74 H -7.8448 -1.3141 0.5339 H 1 UNL1 0.1378 75 H -5.6270 0.0777 -2.2612 H 1 UNL1 0.1549 76 H -7.3749 0.1547 -2.2177 H 1 UNL1 0.1537 77 H -7.5394 1.3676 2.0443 H 1 UNL1 0.1410 78 H -6.9157 -0.2116 2.5616 H 1 UNL1 0.1418 79 H -8.6506 0.0776 2.4915 H 1 UNL1 0.1491 80 H -8.8159 1.4715 -0.3737 H 1 UNL1 0.1593 81 H -9.8684 0.3195 0.4642 H 1 UNL1 0.1402 82 H -9.1896 -0.0903 -1.1108 H 1 UNL1 0.1432 83 H -5.7157 -2.3295 -1.3921 H 1 UNL1 0.1452 84 H -6.5921 -2.1356 -2.9128 H 1 UNL1 0.1445 85 H -7.4834 -2.2483 -1.3940 H 1 UNL1 0.1421 @BOND 1 84 33 1 2 75 30 1 3 76 30 1 4 33 30 1 5 33 85 1 6 33 83 1 7 51 17 1 8 30 28 1 9 66 24 1 10 48 15 1 11 53 18 1 12 34 1 1 13 38 6 1 14 50 16 1 15 1 11 1 16 67 25 1 17 41 10 1 18 64 23 1 19 40 8 1 20 82 32 1 21 46 14 1 22 52 17 1 23 17 15 1 24 17 13 1 25 15 2 1 26 15 7 1 27 24 3 1 28 24 23 1 29 24 21 1 30 18 54 1 31 18 23 1 32 18 9 1 33 68 25 1 34 36 3 1 35 23 65 1 36 4 28 1 37 4 37 1 38 80 32 1 39 16 14 1 40 16 10 1 41 16 49 1 42 6 14 1 43 6 7 1 44 6 5 1 45 14 47 1 46 25 27 1 47 25 20 1 48 28 27 1 49 28 29 1 50 10 5 1 51 10 20 1 52 32 81 1 53 32 29 1 54 69 26 1 55 8 7 1 56 8 9 1 57 8 12 1 58 2 35 1 59 7 39 1 60 11 5 1 61 11 12 1 62 11 42 1 63 44 12 1 64 60 21 1 65 13 9 1 66 13 21 1 67 13 45 1 68 9 22 1 69 21 59 1 70 5 19 1 71 27 73 1 72 27 72 1 73 29 74 1 74 29 31 1 75 20 26 1 76 20 58 1 77 12 43 1 78 26 70 1 79 26 71 1 80 22 63 1 81 22 62 1 82 22 61 1 83 19 55 1 84 19 56 1 85 19 57 1 86 31 77 1 87 31 79 1 88 31 78 1