@MOLECULE 3beta,5alpha,6beta,9alpha-tetrahydroxyergosta-7,22-diene 75 78 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1934 -0.7892 -1.8528 O.3 1 UNL111111 -0.5744 2 O 4.2033 0.9303 -1.5186 O.3 1 UNL111111 -0.5947 3 O 3.3892 2.1197 1.8478 O.3 1 UNL111111 -0.5292 4 O 7.7135 -0.2460 0.3517 O.3 1 UNL111111 -0.5772 5 C -0.8657 -0.5415 -0.0150 C.3 1 UNL111111 0.0846 6 C 2.0709 -0.6002 -0.4485 C.3 1 UNL111111 0.2763 7 C -0.1017 0.6046 -0.7462 C.3 1 UNL111111 -0.1551 8 C 3.4963 -0.5419 0.2108 C.3 1 UNL111111 -0.0066 9 C 1.3058 0.7063 -0.2733 C.2 1 UNL111111 0.0086 10 C -2.3022 -0.3441 -0.5783 C.3 1 UNL111111 -0.1318 11 C 4.1577 0.8294 -0.0968 C.3 1 UNL111111 0.2475 12 C -0.1871 -1.8504 -0.4364 C.3 1 UNL111111 -0.2926 13 C 1.2839 -1.8503 0.0078 C.3 1 UNL111111 -0.2909 14 C -1.0396 1.8118 -0.6155 C.3 1 UNL111111 -0.2749 15 C -2.4554 1.2000 -0.6948 C.3 1 UNL111111 -0.2781 16 C 4.3739 -1.6655 -0.3743 C.3 1 UNL111111 -0.2739 17 C 3.3115 2.0198 0.4374 C.3 1 UNL111111 0.0899 18 C 1.8603 1.8533 0.1277 C.2 1 UNL111111 -0.2576 19 C 5.6131 0.9229 0.3796 C.3 1 UNL111111 -0.3981 20 C -0.8272 -0.3672 1.5060 C.3 1 UNL111111 -0.4592 21 C -3.4487 -0.9510 0.2530 C.3 1 UNL111111 -0.1019 22 C 3.3690 -0.7013 1.7306 C.3 1 UNL111111 -0.4587 23 C 5.8181 -1.5925 0.1248 C.3 1 UNL111111 -0.3003 24 C 6.4220 -0.2322 -0.2369 C.3 1 UNL111111 0.1881 25 C -3.3905 -2.4847 0.2775 C.3 1 UNL111111 -0.4435 26 C -4.7563 -0.5440 -0.3557 C.2 1 UNL111111 -0.1699 27 C -5.6637 0.1890 0.2997 C.2 1 UNL111111 -0.1934 28 C -6.9615 0.6162 -0.3169 C.3 1 UNL111111 -0.0798 29 C -8.1527 0.1464 0.5564 C.3 1 UNL111111 -0.3545 30 C -6.9484 2.1441 -0.4585 C.3 1 UNL111111 -0.4530 31 C -8.0970 -1.3752 0.7732 C.3 1 UNL111111 -0.4229 32 C -9.4292 0.5085 -0.0254 C.3 1 UNL111111 0.1215 33 H -0.0378 0.3387 -1.8423 H 1 UNL111111 0.1719 34 H -2.3396 -0.7879 -1.5996 H 1 UNL111111 0.1362 35 H -0.2400 -1.9729 -1.5368 H 1 UNL111111 0.1521 36 H -0.7058 -2.7228 -0.0079 H 1 UNL111111 0.1373 37 H 1.3290 -1.9497 1.1093 H 1 UNL111111 0.1487 38 H 1.7860 -2.7452 -0.4138 H 1 UNL111111 0.1540 39 H -0.8668 2.5545 -1.4072 H 1 UNL111111 0.1333 40 H -0.8921 2.3328 0.3453 H 1 UNL111111 0.1410 41 H -3.0950 1.5959 0.1099 H 1 UNL111111 0.1401 42 H -2.9546 1.4643 -1.6387 H 1 UNL111111 0.1336 43 H 4.3599 -1.6111 -1.4829 H 1 UNL111111 0.1637 44 H 3.9403 -2.6516 -0.1238 H 1 UNL111111 0.1434 45 H 3.6970 2.9788 0.0113 H 1 UNL111111 0.1160 46 H 1.2741 2.7609 0.2610 H 1 UNL111111 0.1645 47 H 5.6805 0.8612 1.4824 H 1 UNL111111 0.1653 48 H 6.0562 1.8915 0.0930 H 1 UNL111111 0.1406 49 H -1.2182 -1.2501 2.0201 H 1 UNL111111 0.1418 50 H 0.1952 -0.1974 1.8659 H 1 UNL111111 0.1528 51 H -1.4168 0.5002 1.8238 H 1 UNL111111 0.1492 52 H -3.3788 -0.5746 1.3030 H 1 UNL111111 0.1443 53 H 3.1236 -1.7305 2.0124 H 1 UNL111111 0.1470 54 H 4.2997 -0.4496 2.2507 H 1 UNL111111 0.1519 55 H 2.5915 -0.0378 2.1395 H 1 UNL111111 0.1735 56 H 5.8761 -1.7540 1.2182 H 1 UNL111111 0.1557 57 H 6.4262 -2.4010 -0.3210 H 1 UNL111111 0.1501 58 H 6.5267 -0.1092 -1.3368 H 1 UNL111111 0.1239 59 H 2.8675 -0.1643 -2.1973 H 1 UNL111111 0.3402 60 H 4.2785 1.8489 -1.8211 H 1 UNL111111 0.3253 61 H -3.3092 -2.9021 -0.7316 H 1 UNL111111 0.1460 62 H -4.2938 -2.9029 0.7359 H 1 UNL111111 0.1434 63 H -2.5336 -2.8407 0.8598 H 1 UNL111111 0.1458 64 H -4.9159 -0.8841 -1.3779 H 1 UNL111111 0.1460 65 H 4.3139 2.2534 2.1370 H 1 UNL111111 0.3057 66 H 8.2423 0.5152 0.0580 H 1 UNL111111 0.3123 67 H -5.5042 0.5327 1.3190 H 1 UNL111111 0.1449 68 H -7.0832 0.1618 -1.3304 H 1 UNL111111 0.1393 69 H -8.0915 0.6536 1.5606 H 1 UNL111111 0.1797 70 H -7.8208 2.4970 -1.0204 H 1 UNL111111 0.1520 71 H -6.0512 2.4788 -0.9933 H 1 UNL111111 0.1514 72 H -6.9527 2.6452 0.5143 H 1 UNL111111 0.1437 73 H -8.9060 -1.7249 1.4117 H 1 UNL111111 0.1463 74 H -8.1514 -1.9158 -0.1751 H 1 UNL111111 0.1466 75 H -7.1507 -1.6640 1.2561 H 1 UNL111111 0.1553 @BOND 1 58 24 1 2 43 16 1 3 57 23 1 4 59 1 1 5 60 2 1 6 66 4 1 7 1 6 1 8 2 11 1 9 24 4 1 10 24 23 1 11 24 19 1 12 23 16 1 13 23 56 1 14 16 44 1 15 16 8 1 16 35 12 1 17 38 13 1 18 33 7 1 19 48 19 1 20 19 11 1 21 19 47 1 22 11 8 1 23 11 17 1 24 6 8 1 25 6 13 1 26 6 9 1 27 8 22 1 28 13 12 1 29 13 37 1 30 34 10 1 31 12 36 1 32 12 5 1 33 45 17 1 34 9 7 1 35 9 18 2 36 7 5 1 37 7 14 1 38 39 14 1 39 17 18 1 40 17 3 1 41 61 25 1 42 42 15 1 43 18 46 1 44 5 10 1 45 5 20 1 46 10 15 1 47 10 21 1 48 14 15 1 49 14 40 1 50 64 26 1 51 22 53 1 52 22 54 1 53 22 55 1 54 15 41 1 55 25 63 1 56 25 21 1 57 25 62 1 58 65 3 1 59 26 21 1 60 26 27 2 61 21 52 1 62 68 28 1 63 20 50 1 64 20 49 1 65 20 51 1 66 71 30 1 67 74 31 1 68 28 27 1 69 28 30 1 70 28 29 1 71 27 67 1 72 70 30 1 73 30 72 1 74 31 75 1 75 31 29 1 76 31 73 1 77 32 29 1 78 29 69 1