@MOLECULE (3beta,5alpha)-ergosta-8,24(28)-dien-3-ol 75 78 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.0131 -0.3431 0.7117 O.3 1 UNL1111111111 -0.5760 2 C 0.4297 -0.2035 -0.4239 C.3 1 UNL1111111111 0.0810 3 C -0.2914 0.9797 0.2963 C.3 1 UNL1111111111 -0.1478 4 C 1.9206 0.1538 -0.1536 C.3 1 UNL1111111111 -0.1410 5 C -3.8646 -0.4248 -0.1459 C.3 1 UNL1111111111 0.0719 6 C -1.7662 0.9141 0.0685 C.2 1 UNL1111111111 -0.0323 7 C -2.3696 -0.2877 0.0727 C.2 1 UNL1111111111 -0.0806 8 C -0.0701 -1.4776 0.2628 C.3 1 UNL1111111111 -0.2976 9 C 0.5022 2.2130 -0.1554 C.3 1 UNL1111111111 -0.2758 10 C 1.9556 1.7039 -0.2866 C.3 1 UNL1111111111 -0.2767 11 C -4.5463 0.8845 0.3405 C.3 1 UNL1111111111 -0.1130 12 C -1.6101 -1.5795 0.2081 C.3 1 UNL1111111111 -0.2672 13 C -2.4708 2.2258 -0.0671 C.3 1 UNL1111111111 -0.2752 14 C 2.9611 -0.5191 -1.0645 C.3 1 UNL1111111111 -0.0905 15 C -3.9606 2.0900 -0.4021 C.3 1 UNL1111111111 -0.2772 16 C 0.1227 -0.2476 -1.9233 C.3 1 UNL1111111111 -0.4582 17 C -4.4613 -1.5935 0.6766 C.3 1 UNL1111111111 -0.2834 18 C -6.0686 0.8361 0.1820 C.3 1 UNL1111111111 -0.3155 19 C -4.0785 -0.6834 -1.6482 C.3 1 UNL1111111111 -0.4530 20 C -5.9878 -1.6654 0.5647 C.3 1 UNL1111111111 -0.3340 21 C -6.6210 -0.3372 0.9984 C.3 1 UNL1111111111 0.1690 22 C 4.3828 0.0159 -0.7871 C.3 1 UNL1111111111 -0.2759 23 C 2.9424 -2.0452 -0.9109 C.3 1 UNL1111111111 -0.4512 24 C 4.8524 -0.2057 0.6587 C.3 1 UNL1111111111 -0.2959 25 C 6.2616 0.2862 0.8154 C.2 1 UNL1111111111 0.0429 26 C 7.3348 -0.6268 0.2749 C.3 1 UNL1111111111 -0.0891 27 C 6.5288 1.4580 1.3966 C.2 1 UNL1111111111 -0.3826 28 C 8.2347 -1.1121 1.4192 C.3 1 UNL1111111111 -0.4448 29 C 8.1615 0.0946 -0.7981 C.3 1 UNL1111111111 -0.4445 30 H -0.1345 0.8655 1.4037 H 1 UNL1111111111 0.1478 31 H 2.1509 -0.1217 0.9015 H 1 UNL1111111111 0.1342 32 H 0.2671 -1.4945 1.3158 H 1 UNL1111111111 0.1361 33 H 0.3725 -2.3744 -0.2053 H 1 UNL1111111111 0.1390 34 H 0.4199 3.0404 0.5632 H 1 UNL1111111111 0.1323 35 H 0.1345 2.5948 -1.1216 H 1 UNL1111111111 0.1382 36 H 2.3796 2.0081 -1.2563 H 1 UNL1111111111 0.1361 37 H 2.6029 2.1411 0.4881 H 1 UNL1111111111 0.1339 38 H -4.3098 0.9971 1.4296 H 1 UNL1111111111 0.1402 39 H -1.9495 -2.1071 1.1241 H 1 UNL1111111111 0.1426 40 H -1.8873 -2.2350 -0.6458 H 1 UNL1111111111 0.1447 41 H -2.3496 2.7924 0.8812 H 1 UNL1111111111 0.1471 42 H -1.9773 2.8417 -0.8479 H 1 UNL1111111111 0.1468 43 H 2.7177 -0.2709 -2.1280 H 1 UNL1111111111 0.1359 44 H -4.4986 3.0146 -0.1240 H 1 UNL1111111111 0.1364 45 H -4.1023 1.9761 -1.4926 H 1 UNL1111111111 0.1429 46 H -0.9593 -0.2772 -2.1051 H 1 UNL1111111111 0.1563 47 H 0.5110 0.6373 -2.4380 H 1 UNL1111111111 0.1456 48 H 0.5573 -1.1334 -2.3956 H 1 UNL1111111111 0.1405 49 H -4.1671 -1.4797 1.7369 H 1 UNL1111111111 0.1396 50 H -4.0326 -2.5544 0.3369 H 1 UNL1111111111 0.1392 51 H -6.5323 1.7806 0.5219 H 1 UNL1111111111 0.1493 52 H -6.3644 0.7321 -0.8785 H 1 UNL1111111111 0.1582 53 H -5.1383 -0.6350 -1.9185 H 1 UNL1111111111 0.1500 54 H -3.5450 0.0561 -2.2565 H 1 UNL1111111111 0.1495 55 H -3.7062 -1.6713 -1.9365 H 1 UNL1111111111 0.1412 56 H -6.2881 -1.8937 -0.4765 H 1 UNL1111111111 0.1568 57 H -6.3738 -2.4972 1.1795 H 1 UNL1111111111 0.1326 58 H -6.5039 -0.1661 2.0906 H 1 UNL1111111111 0.1102 59 H 4.4300 1.0962 -1.0231 H 1 UNL1111111111 0.1404 60 H 5.0920 -0.4683 -1.4861 H 1 UNL1111111111 0.1369 61 H 2.0414 -2.4782 -1.3593 H 1 UNL1111111111 0.1431 62 H 2.9669 -2.3466 0.1412 H 1 UNL1111111111 0.1435 63 H 3.8040 -2.5047 -1.4073 H 1 UNL1111111111 0.1420 64 H 4.7833 -1.2783 0.9270 H 1 UNL1111111111 0.1480 65 H 4.1721 0.3164 1.3612 H 1 UNL1111111111 0.1493 66 H -8.4464 -1.1222 1.1019 H 1 UNL1111111111 0.3112 67 H 6.8613 -1.5242 -0.1992 H 1 UNL1111111111 0.1367 68 H 7.5245 1.8470 1.5258 H 1 UNL1111111111 0.1455 69 H 5.7723 2.1177 1.7863 H 1 UNL1111111111 0.1458 70 H 8.9969 -1.8085 1.0555 H 1 UNL1111111111 0.1421 71 H 7.6500 -1.6259 2.1900 H 1 UNL1111111111 0.1441 72 H 8.7524 -0.2767 1.9039 H 1 UNL1111111111 0.1483 73 H 8.6977 0.9543 -0.3814 H 1 UNL1111111111 0.1480 74 H 7.5202 0.4687 -1.6040 H 1 UNL1111111111 0.1445 75 H 8.9041 -0.5756 -1.2426 H 1 UNL1111111111 0.1416 @BOND 1 1 21 1 2 1 66 1 3 2 3 1 4 2 4 1 5 2 8 1 6 2 16 1 7 3 6 1 8 3 9 1 9 3 30 1 10 4 10 1 11 4 14 1 12 4 31 1 13 5 7 1 14 5 11 1 15 5 17 1 16 5 19 1 17 6 7 2 18 6 13 1 19 7 12 1 20 8 12 1 21 8 32 1 22 8 33 1 23 9 10 1 24 9 34 1 25 9 35 1 26 10 36 1 27 10 37 1 28 11 15 1 29 11 18 1 30 11 38 1 31 12 39 1 32 12 40 1 33 13 15 1 34 13 41 1 35 13 42 1 36 14 22 1 37 14 23 1 38 14 43 1 39 15 44 1 40 15 45 1 41 16 46 1 42 16 47 1 43 16 48 1 44 17 20 1 45 17 49 1 46 17 50 1 47 18 21 1 48 18 51 1 49 18 52 1 50 19 53 1 51 19 54 1 52 19 55 1 53 20 21 1 54 20 56 1 55 20 57 1 56 21 58 1 57 22 24 1 58 22 59 1 59 22 60 1 60 23 61 1 61 23 62 1 62 23 63 1 63 24 25 1 64 24 64 1 65 24 65 1 66 25 26 1 67 25 27 2 68 26 28 1 69 26 29 1 70 26 67 1 71 27 68 1 72 27 69 1 73 28 70 1 74 28 71 1 75 28 72 1 76 29 73 1 77 29 74 1 78 29 75 1