@MOLECULE 14-methylergosta-8,24(28)-diene-3,6-diol 79 82 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.0126 1.7460 1.9904 O.3 1 UNL1111111111 -0.5620 2 O 6.4794 0.2209 -2.2204 O.3 1 UNL1111111111 -0.5680 3 C -0.5824 -0.6228 0.4083 C.3 1 UNL1111111111 0.0692 4 C 0.0246 0.7092 -0.1652 C.3 1 UNL1111111111 0.0476 5 C -2.1071 -0.3559 0.2701 C.3 1 UNL1111111111 -0.1395 6 C 1.5080 0.6972 0.0721 C.2 1 UNL1111111111 -0.0521 7 C -0.8352 1.7812 0.5368 C.3 1 UNL1111111111 -0.2899 8 C -0.0253 -1.7820 -0.4178 C.3 1 UNL1111111111 -0.2919 9 C 3.6848 -0.5237 0.1134 C.3 1 UNL1111111111 0.0773 10 C 2.1872 -0.4469 -0.1171 C.2 1 UNL1111111111 -0.0632 11 C -2.2426 1.1498 0.6407 C.3 1 UNL1111111111 -0.2728 12 C 4.2953 0.8684 -0.1923 C.3 1 UNL1111111111 -0.1361 13 C 1.5190 -1.7424 -0.4876 C.3 1 UNL1111111111 -0.2670 14 C 2.1172 2.0013 0.4696 C.3 1 UNL1111111111 -0.3397 15 C -3.0453 -1.2360 1.1145 C.3 1 UNL1111111111 -0.0909 16 C -0.2040 -0.8266 1.8843 C.3 1 UNL1111111111 -0.4627 17 C -0.1664 0.8727 -1.6893 C.3 1 UNL1111111111 -0.4499 18 C 3.6426 1.9805 0.6416 C.3 1 UNL1111111111 0.1506 19 C 4.3633 -1.5326 -0.8462 C.3 1 UNL1111111111 -0.2855 20 C 5.8139 0.8945 0.0048 C.3 1 UNL1111111111 -0.3366 21 C 3.8903 -0.9714 1.5689 C.3 1 UNL1111111111 -0.4418 22 C 5.8866 -1.5520 -0.6853 C.3 1 UNL1111111111 -0.3277 23 C 6.5090 -0.1616 -0.8605 C.3 1 UNL1111111111 0.1672 24 C -4.5151 -0.7836 0.9705 C.3 1 UNL1111111111 -0.2758 25 C -2.9208 -2.7172 0.7368 C.3 1 UNL1111111111 -0.4510 26 C -5.0373 -0.8474 -0.4726 C.3 1 UNL1111111111 -0.2962 27 C -6.4529 -0.3498 -0.5271 C.2 1 UNL1111111111 0.0426 28 C -6.6042 1.1515 -0.5395 C.3 1 UNL1111111111 -0.0860 29 C -7.4842 -1.1952 -0.5818 C.2 1 UNL1111111111 -0.3845 30 C -7.7661 1.6153 0.3469 C.3 1 UNL1111111111 -0.4467 31 C -6.8086 1.6186 -1.9879 C.3 1 UNL1111111111 -0.4439 32 H -2.3816 -0.4942 -0.8014 H 1 UNL1111111111 0.1354 33 H -0.4413 2.0143 1.5387 H 1 UNL1111111111 0.1345 34 H -0.8535 2.7286 -0.0194 H 1 UNL1111111111 0.1344 35 H -0.3434 -2.7501 0.0097 H 1 UNL1111111111 0.1388 36 H -0.4507 -1.7609 -1.4376 H 1 UNL1111111111 0.1377 37 H -2.6404 1.2725 1.6600 H 1 UNL1111111111 0.1350 38 H -2.9527 1.6487 -0.0352 H 1 UNL1111111111 0.1310 39 H 4.0704 1.1000 -1.2661 H 1 UNL1111111111 0.1377 40 H 1.9131 -2.5404 0.1790 H 1 UNL1111111111 0.1467 41 H 1.8262 -2.0219 -1.5175 H 1 UNL1111111111 0.1434 42 H 1.6514 2.3423 1.4203 H 1 UNL1111111111 0.1555 43 H 1.8427 2.7690 -0.2864 H 1 UNL1111111111 0.1567 44 H -2.7697 -1.1235 2.1926 H 1 UNL1111111111 0.1360 45 H 0.8842 -0.8177 2.0247 H 1 UNL1111111111 0.1585 46 H -0.5678 -1.7894 2.2560 H 1 UNL1111111111 0.1427 47 H -0.6193 -0.0413 2.5224 H 1 UNL1111111111 0.1439 48 H -1.2217 0.8364 -1.9731 H 1 UNL1111111111 0.1444 49 H 0.2353 1.8357 -2.0222 H 1 UNL1111111111 0.1414 50 H 0.3617 0.0926 -2.2474 H 1 UNL1111111111 0.1504 51 H 4.0768 2.9739 0.3741 H 1 UNL1111111111 0.1127 52 H 4.0948 -1.2881 -1.8903 H 1 UNL1111111111 0.1330 53 H 3.9745 -2.5517 -0.6630 H 1 UNL1111111111 0.1396 54 H 6.2133 1.8956 -0.2485 H 1 UNL1111111111 0.1501 55 H 6.0601 0.7366 1.0736 H 1 UNL1111111111 0.1669 56 H 4.9281 -0.8361 1.8901 H 1 UNL1111111111 0.1517 57 H 3.2753 -0.3716 2.2543 H 1 UNL1111111111 0.1635 58 H 3.6211 -2.0214 1.7089 H 1 UNL1111111111 0.1336 59 H 6.3309 -2.2444 -1.4268 H 1 UNL1111111111 0.1482 60 H 6.1569 -1.9531 0.3096 H 1 UNL1111111111 0.1484 61 H 7.6064 -0.1836 -0.6624 H 1 UNL1111111111 0.1318 62 H -4.6281 0.2445 1.3639 H 1 UNL1111111111 0.1364 63 H -5.1543 -1.4163 1.6169 H 1 UNL1111111111 0.1406 64 H -2.9542 -2.8626 -0.3479 H 1 UNL1111111111 0.1438 65 H -3.7334 -3.3078 1.1740 H 1 UNL1111111111 0.1433 66 H -1.9793 -3.1431 1.1006 H 1 UNL1111111111 0.1424 67 H 3.4850 2.2954 2.5976 H 1 UNL1111111111 0.3080 68 H -4.3938 -0.2452 -1.1450 H 1 UNL1111111111 0.1476 69 H -4.9667 -1.8862 -0.8517 H 1 UNL1111111111 0.1495 70 H 5.5642 0.2445 -2.5580 H 1 UNL1111111111 0.3139 71 H -5.6656 1.6220 -0.1470 H 1 UNL1111111111 0.1381 72 H -8.5138 -0.8838 -0.6264 H 1 UNL1111111111 0.1466 73 H -7.3767 -2.2666 -0.5849 H 1 UNL1111111111 0.1451 74 H -8.7338 1.2919 -0.0519 H 1 UNL1111111111 0.1465 75 H -7.7920 2.7069 0.4257 H 1 UNL1111111111 0.1409 76 H -7.6762 1.2071 1.3598 H 1 UNL1111111111 0.1461 77 H -7.7124 1.1776 -2.4234 H 1 UNL1111111111 0.1482 78 H -5.9637 1.3275 -2.6215 H 1 UNL1111111111 0.1438 79 H -6.9109 2.7070 -2.0423 H 1 UNL1111111111 0.1422 @BOND 1 1 18 1 2 1 67 1 3 2 23 1 4 2 70 1 5 3 4 1 6 3 5 1 7 3 8 1 8 3 16 1 9 4 6 1 10 4 7 1 11 4 17 1 12 5 11 1 13 5 15 1 14 5 32 1 15 6 10 2 16 6 14 1 17 7 11 1 18 7 33 1 19 7 34 1 20 8 13 1 21 8 35 1 22 8 36 1 23 9 10 1 24 9 12 1 25 9 19 1 26 9 21 1 27 10 13 1 28 11 37 1 29 11 38 1 30 12 18 1 31 12 20 1 32 12 39 1 33 13 40 1 34 13 41 1 35 14 18 1 36 14 42 1 37 14 43 1 38 15 24 1 39 15 25 1 40 15 44 1 41 16 45 1 42 16 46 1 43 16 47 1 44 17 48 1 45 17 49 1 46 17 50 1 47 18 51 1 48 19 22 1 49 19 52 1 50 19 53 1 51 20 23 1 52 20 54 1 53 20 55 1 54 21 56 1 55 21 57 1 56 21 58 1 57 22 23 1 58 22 59 1 59 22 60 1 60 23 61 1 61 24 26 1 62 24 62 1 63 24 63 1 64 25 64 1 65 25 65 1 66 25 66 1 67 26 27 1 68 26 68 1 69 26 69 1 70 27 28 1 71 27 29 2 72 28 30 1 73 28 31 1 74 28 71 1 75 29 72 1 76 29 73 1 77 30 74 1 78 30 75 1 79 30 76 1 80 31 77 1 81 31 78 1 82 31 79 1