@MOLECULE (3beta,22r)-3,14,17,20-tetrahydroxy-22,26-epoxyergosta-5,24-diene-1,26-dione 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7630 -0.8428 -1.4560 O.3 1 UNL1111111111 -0.5967 2 O 1.6132 0.3634 -1.5192 O.3 1 UNL1111111111 -0.6047 3 O 2.8673 0.8354 1.7970 O.3 1 UNL1111111111 -0.5639 4 O 4.2806 -0.7419 0.2105 O.3 1 UNL1111111111 -0.4684 5 O -5.0160 2.4548 0.1042 O.2 1 UNL1111111111 -0.4579 6 O -8.1283 0.1026 -1.0071 O.3 1 UNL1111111111 -0.5670 7 O 5.5888 -2.4467 0.4914 O.2 1 UNL1111111111 -0.4559 8 C 0.0905 0.4013 0.3894 C.3 1 UNL1111111111 -0.0016 9 C -0.6448 -0.9140 -0.0302 C.3 1 UNL1111111111 0.2712 10 C 1.5394 0.1162 -0.1295 C.3 1 UNL1111111111 0.2446 11 C -2.0701 -0.9825 0.5295 C.3 1 UNL1111111111 -0.1627 12 C -2.8550 0.2179 -0.0546 C.3 1 UNL1111111111 -0.0981 13 C -0.6694 1.5554 -0.2650 C.3 1 UNL1111111111 -0.2721 14 C 0.3400 -2.0384 0.3157 C.3 1 UNL1111111111 -0.3398 15 C 1.7323 -1.4058 0.1262 C.3 1 UNL1111111111 -0.3154 16 C -2.1370 1.5569 0.1961 C.3 1 UNL1111111111 -0.2853 17 C -4.2944 0.2188 0.5291 C.3 1 UNL1111111111 -0.0599 18 C 2.7144 0.9946 0.4064 C.3 1 UNL1111111111 0.2775 19 C -2.7398 -2.3176 0.1648 C.3 1 UNL1111111111 -0.2790 20 C 0.1261 0.5612 1.9108 C.3 1 UNL1111111111 -0.4545 21 C -4.9292 -1.1287 0.3151 C.2 1 UNL1111111111 -0.0175 22 C -4.2296 -2.2608 0.1950 C.2 1 UNL1111111111 -0.1813 23 C 4.0408 0.5670 -0.3022 C.3 1 UNL1111111111 0.0866 24 C -5.0980 1.2944 -0.2085 C.2 1 UNL1111111111 0.4780 25 C -4.3371 0.5411 2.0287 C.3 1 UNL1111111111 -0.4361 26 C 2.4407 2.4804 0.1976 C.3 1 UNL1111111111 -0.4707 27 C -6.4195 -1.0968 0.2135 C.3 1 UNL1111111111 -0.3629 28 C -5.9603 0.8705 -1.3696 C.3 1 UNL1111111111 -0.4200 29 C -6.7985 -0.3834 -1.0974 C.3 1 UNL1111111111 0.1939 30 C 5.2179 1.4892 0.0202 C.3 1 UNL1111111111 -0.3649 31 C 6.4983 0.8595 -0.4249 C.2 1 UNL1111111111 0.1051 32 C 5.5233 -1.3063 0.1091 C.2 1 UNL1111111111 0.6161 33 C 6.6255 -0.4790 -0.4066 C.2 1 UNL1111111111 -0.1937 34 C 7.5704 1.7849 -0.8724 C.3 1 UNL1111111111 -0.4631 35 C 7.8337 -1.2231 -0.8452 C.3 1 UNL1111111111 -0.4207 36 H -2.0365 -0.8933 1.6408 H 1 UNL1111111111 0.1545 37 H -2.9278 0.0672 -1.1620 H 1 UNL1111111111 0.1545 38 H -0.6190 1.4744 -1.3697 H 1 UNL1111111111 0.1591 39 H -0.2054 2.5273 -0.0192 H 1 UNL1111111111 0.1402 40 H 0.2070 -2.9241 -0.3231 H 1 UNL1111111111 0.1428 41 H 0.1964 -2.3859 1.3523 H 1 UNL1111111111 0.1532 42 H 2.3663 -1.5934 1.0090 H 1 UNL1111111111 0.1597 43 H 2.2740 -1.8555 -0.7255 H 1 UNL1111111111 0.1687 44 H -2.1860 1.8246 1.2683 H 1 UNL1111111111 0.1466 45 H -2.6781 2.3708 -0.3280 H 1 UNL1111111111 0.1544 46 H -2.3746 -3.1104 0.8510 H 1 UNL1111111111 0.1471 47 H -2.4306 -2.6399 -0.8534 H 1 UNL1111111111 0.1437 48 H 0.6570 1.4811 2.1960 H 1 UNL1111111111 0.1686 49 H -0.8740 0.6208 2.3507 H 1 UNL1111111111 0.1450 50 H 0.6594 -0.2629 2.3983 H 1 UNL1111111111 0.1530 51 H -0.9079 -1.7246 -1.8411 H 1 UNL1111111111 0.3199 52 H -4.7198 -3.2249 0.0734 H 1 UNL1111111111 0.1452 53 H 3.8861 0.4593 -1.4011 H 1 UNL1111111111 0.1652 54 H 0.8218 -0.0374 -1.9554 H 1 UNL1111111111 0.3569 55 H -3.9918 1.5666 2.2242 H 1 UNL1111111111 0.1678 56 H -5.3570 0.4713 2.4249 H 1 UNL1111111111 0.1485 57 H -3.7116 -0.1472 2.6065 H 1 UNL1111111111 0.1499 58 H 3.2581 3.1083 0.5655 H 1 UNL1111111111 0.1513 59 H 2.2651 2.6962 -0.8649 H 1 UNL1111111111 0.1705 60 H 1.5482 2.7930 0.7587 H 1 UNL1111111111 0.1675 61 H -6.8638 -2.1076 0.2498 H 1 UNL1111111111 0.1495 62 H -6.8620 -0.5508 1.0752 H 1 UNL1111111111 0.1738 63 H -6.6524 1.7081 -1.6387 H 1 UNL1111111111 0.2067 64 H -5.3171 0.7259 -2.2602 H 1 UNL1111111111 0.1745 65 H -6.7568 -1.0865 -1.9597 H 1 UNL1111111111 0.1175 66 H 3.2414 -0.0502 2.0039 H 1 UNL1111111111 0.3346 67 H 5.2548 1.6914 1.1163 H 1 UNL1111111111 0.1874 68 H 5.0655 2.4778 -0.4590 H 1 UNL1111111111 0.1709 69 H -8.7509 -0.6053 -0.7622 H 1 UNL1111111111 0.3150 70 H 8.5774 1.3592 -0.7464 H 1 UNL1111111111 0.1648 71 H 7.5575 2.7381 -0.3250 H 1 UNL1111111111 0.1600 72 H 7.4588 2.0230 -1.9431 H 1 UNL1111111111 0.1691 73 H 8.0700 -1.0285 -1.9012 H 1 UNL1111111111 0.1539 74 H 7.7136 -2.3154 -0.7394 H 1 UNL1111111111 0.1745 75 H 8.7180 -0.9511 -0.2496 H 1 UNL1111111111 0.1553 @BOND 1 1 9 1 2 1 51 1 3 2 10 1 4 2 54 1 5 3 18 1 6 3 66 1 7 4 23 1 8 4 32 1 9 5 24 2 10 6 29 1 11 6 69 1 12 7 32 2 13 8 9 1 14 8 10 1 15 8 13 1 16 8 20 1 17 9 11 1 18 9 14 1 19 10 15 1 20 10 18 1 21 11 12 1 22 11 19 1 23 11 36 1 24 12 16 1 25 12 17 1 26 12 37 1 27 13 16 1 28 13 38 1 29 13 39 1 30 14 15 1 31 14 40 1 32 14 41 1 33 15 42 1 34 15 43 1 35 16 44 1 36 16 45 1 37 17 21 1 38 17 24 1 39 17 25 1 40 18 23 1 41 18 26 1 42 19 22 1 43 19 46 1 44 19 47 1 45 20 48 1 46 20 49 1 47 20 50 1 48 21 22 2 49 21 27 1 50 22 52 1 51 23 30 1 52 23 53 1 53 24 28 1 54 25 55 1 55 25 56 1 56 25 57 1 57 26 58 1 58 26 59 1 59 26 60 1 60 27 29 1 61 27 61 1 62 27 62 1 63 28 29 1 64 28 63 1 65 28 64 1 66 29 65 1 67 30 31 1 68 30 67 1 69 30 68 1 70 31 33 2 71 31 34 1 72 32 33 1 73 33 35 1 74 34 70 1 75 34 71 1 76 34 72 1 77 35 73 1 78 35 74 1 79 35 75 1