@MOLECULE (3beta,5alpha,24r)-3-hydroxyergostan-6-one 78 81 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.6446 2.7362 0.0596 O.2 1 UNL1111111111 -0.4594 2 O 7.7954 -1.0625 -1.0672 O.3 1 UNL1111111111 -0.5645 3 C -0.6217 -0.0684 0.8217 C.3 1 UNL1111111111 0.0720 4 C 0.1745 0.9995 0.0088 C.3 1 UNL1111111111 -0.1410 5 C 1.6710 0.9295 0.3133 C.3 1 UNL1111111111 -0.1058 6 C 2.1766 -0.4626 -0.1523 C.3 1 UNL1111111111 -0.1473 7 C 3.7083 -0.5989 0.1018 C.3 1 UNL1111111111 0.0811 8 C -2.0801 0.3226 0.4334 C.3 1 UNL1111111111 -0.1444 9 C -0.1486 -1.4402 0.3227 C.3 1 UNL1111111111 -0.2992 10 C 1.3707 -1.5910 0.5184 C.3 1 UNL1111111111 -0.2737 11 C -0.5658 2.3094 0.3050 C.3 1 UNL1111111111 -0.2813 12 C -2.0459 1.8800 0.4304 C.3 1 UNL1111111111 -0.2783 13 C 4.4055 0.5003 -0.7488 C.3 1 UNL1111111111 -0.2350 14 C 2.4162 2.0600 -0.4098 C.3 1 UNL1111111111 -0.4074 15 C 4.2051 -1.9716 -0.4093 C.3 1 UNL1111111111 -0.2871 16 C -0.4160 0.0459 2.3358 C.3 1 UNL1111111111 -0.4575 17 C -3.2059 -0.2158 1.3315 C.3 1 UNL1111111111 -0.0908 18 C 3.9068 1.8609 -0.3132 C.2 1 UNL1111111111 0.4774 19 C 5.9287 0.4174 -0.6650 C.3 1 UNL1111111111 -0.3270 20 C 4.0405 -0.4433 1.5897 C.3 1 UNL1111111111 -0.4629 21 C 5.7315 -2.0944 -0.3740 C.3 1 UNL1111111111 -0.3298 22 C 6.3919 -0.9559 -1.1654 C.3 1 UNL1111111111 0.1688 23 C -4.5814 0.3460 0.9050 C.3 1 UNL1111111111 -0.2869 24 C -3.2495 -1.7492 1.3257 C.3 1 UNL1111111111 -0.4516 25 C -4.9431 0.0384 -0.5529 C.3 1 UNL1111111111 -0.2855 26 C -6.3964 0.4414 -0.8753 C.3 1 UNL1111111111 -0.0974 27 C -7.4003 -0.5807 -0.2856 C.3 1 UNL1111111111 -0.0753 28 C -6.5528 0.6076 -2.3916 C.3 1 UNL1111111111 -0.4502 29 C -7.4301 -1.9041 -1.0581 C.3 1 UNL1111111111 -0.4499 30 C -8.8105 0.0233 -0.2336 C.3 1 UNL1111111111 -0.4560 31 H 0.0383 0.7755 -1.0802 H 1 UNL1111111111 0.1367 32 H 1.8372 1.0380 1.4107 H 1 UNL1111111111 0.1492 33 H 2.0062 -0.5388 -1.2541 H 1 UNL1111111111 0.1371 34 H -2.2632 -0.0369 -0.6052 H 1 UNL1111111111 0.1349 35 H -0.6702 -2.2529 0.8590 H 1 UNL1111111111 0.1397 36 H -0.4086 -1.5705 -0.7433 H 1 UNL1111111111 0.1368 37 H 1.6849 -2.5692 0.1086 H 1 UNL1111111111 0.1339 38 H 1.6010 -1.6298 1.5997 H 1 UNL1111111111 0.1425 39 H -0.2055 2.7745 1.2363 H 1 UNL1111111111 0.1396 40 H -0.4233 3.0538 -0.4914 H 1 UNL1111111111 0.1337 41 H -2.6481 2.2751 -0.4010 H 1 UNL1111111111 0.1340 42 H -2.4856 2.2856 1.3546 H 1 UNL1111111111 0.1365 43 H 4.1053 0.3559 -1.8193 H 1 UNL1111111111 0.1597 44 H 2.1305 3.0404 0.0244 H 1 UNL1111111111 0.1750 45 H 2.1179 2.1112 -1.4751 H 1 UNL1111111111 0.1672 46 H 3.8411 -2.1396 -1.4406 H 1 UNL1111111111 0.1389 47 H 3.7637 -2.7803 0.2034 H 1 UNL1111111111 0.1419 48 H -0.9565 -0.7439 2.8682 H 1 UNL1111111111 0.1432 49 H -0.7732 1.0093 2.7160 H 1 UNL1111111111 0.1488 50 H 0.6392 -0.0415 2.6156 H 1 UNL1111111111 0.1464 51 H -3.0220 0.1252 2.3808 H 1 UNL1111111111 0.1337 52 H 6.3957 1.2222 -1.2673 H 1 UNL1111111111 0.1642 53 H 6.2767 0.6055 0.3676 H 1 UNL1111111111 0.1574 54 H 5.1098 -0.5870 1.7828 H 1 UNL1111111111 0.1523 55 H 3.7864 0.5550 1.9651 H 1 UNL1111111111 0.1529 56 H 3.5015 -1.1751 2.2005 H 1 UNL1111111111 0.1467 57 H 6.0976 -2.0948 0.6687 H 1 UNL1111111111 0.1440 58 H 6.0472 -3.0673 -0.7955 H 1 UNL1111111111 0.1483 59 H 6.2301 -1.0717 -2.2612 H 1 UNL1111111111 0.1379 60 H -4.6027 1.4397 1.0677 H 1 UNL1111111111 0.1346 61 H -5.3561 -0.0670 1.5799 H 1 UNL1111111111 0.1370 62 H -4.1632 -2.1212 1.8026 H 1 UNL1111111111 0.1446 63 H -2.4015 -2.1745 1.8729 H 1 UNL1111111111 0.1412 64 H -3.2244 -2.1506 0.3074 H 1 UNL1111111111 0.1437 65 H -4.7924 -1.0347 -0.7689 H 1 UNL1111111111 0.1417 66 H -4.2524 0.5790 -1.2276 H 1 UNL1111111111 0.1381 67 H 8.1044 -0.9186 -0.1538 H 1 UNL1111111111 0.3135 68 H -6.6006 1.4310 -0.3966 H 1 UNL1111111111 0.1311 69 H -7.0802 -0.8012 0.7643 H 1 UNL1111111111 0.1290 70 H -7.5947 0.8055 -2.6648 H 1 UNL1111111111 0.1431 71 H -6.2356 -0.2911 -2.9308 H 1 UNL1111111111 0.1441 72 H -5.9516 1.4451 -2.7613 H 1 UNL1111111111 0.1391 73 H -8.0466 -2.6467 -0.5404 H 1 UNL1111111111 0.1392 74 H -7.8465 -1.7757 -2.0627 H 1 UNL1111111111 0.1453 75 H -6.4257 -2.3266 -1.1674 H 1 UNL1111111111 0.1414 76 H -9.5194 -0.6713 0.2294 H 1 UNL1111111111 0.1419 77 H -8.8280 0.9500 0.3485 H 1 UNL1111111111 0.1402 78 H -9.1863 0.2548 -1.2356 H 1 UNL1111111111 0.1444 @BOND 1 1 18 2 2 2 22 1 3 2 67 1 4 3 4 1 5 3 8 1 6 3 9 1 7 3 16 1 8 4 5 1 9 4 11 1 10 4 31 1 11 5 6 1 12 5 14 1 13 5 32 1 14 6 7 1 15 6 10 1 16 6 33 1 17 7 13 1 18 7 15 1 19 7 20 1 20 8 12 1 21 8 17 1 22 8 34 1 23 9 10 1 24 9 35 1 25 9 36 1 26 10 37 1 27 10 38 1 28 11 12 1 29 11 39 1 30 11 40 1 31 12 41 1 32 12 42 1 33 13 18 1 34 13 19 1 35 13 43 1 36 14 18 1 37 14 44 1 38 14 45 1 39 15 21 1 40 15 46 1 41 15 47 1 42 16 48 1 43 16 49 1 44 16 50 1 45 17 23 1 46 17 24 1 47 17 51 1 48 19 22 1 49 19 52 1 50 19 53 1 51 20 54 1 52 20 55 1 53 20 56 1 54 21 22 1 55 21 57 1 56 21 58 1 57 22 59 1 58 23 25 1 59 23 60 1 60 23 61 1 61 24 62 1 62 24 63 1 63 24 64 1 64 25 26 1 65 25 65 1 66 25 66 1 67 26 27 1 68 26 28 1 69 26 68 1 70 27 29 1 71 27 30 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 79 30 76 1 80 30 77 1 81 30 78 1