@MOLECULE (16beta,20r,24s)-16,25-dihydroxy-20,24-epoxylanost-8-en-3-one 82 86 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.7214 -0.4170 -0.8290 O.3 1 UNL1111111111 -0.4406 2 O 2.7353 3.5230 -0.4481 O.3 1 UNL1111111111 -0.5629 3 O -6.6531 -1.8475 0.8287 O.2 1 UNL1111111111 -0.4742 4 O 3.5009 -2.3591 1.2369 O.3 1 UNL1111111111 -0.5626 5 C 1.1699 0.6427 -0.1070 C.3 1 UNL1111111111 0.0973 6 C 0.1414 1.4441 0.7762 C.3 1 UNL1111111111 0.0453 7 C 2.5194 1.2518 0.3593 C.3 1 UNL1111111111 -0.2171 8 C 0.6487 2.8905 0.6242 C.3 1 UNL1111111111 -0.3607 9 C -1.2425 1.0966 0.3099 C.2 1 UNL1111111111 -0.0410 10 C 2.1931 2.7522 0.6047 C.3 1 UNL1111111111 0.1608 11 C 0.9869 -0.8407 0.2008 C.3 1 UNL1111111111 -0.2997 12 C 3.7879 0.9749 -0.4705 C.3 1 UNL1111111111 0.3252 13 C -2.9105 -0.6063 -0.4439 C.3 1 UNL1111111111 0.0670 14 C -1.5225 -0.1855 0.0162 C.2 1 UNL1111111111 -0.0649 15 C -3.9307 0.3752 0.2034 C.3 1 UNL1111111111 -0.1348 16 C -0.4877 -1.2783 0.0606 C.3 1 UNL1111111111 -0.2652 17 C 0.9319 0.8727 -1.6037 C.3 1 UNL1111111111 -0.4648 18 C -2.2289 2.2177 0.2748 C.3 1 UNL1111111111 -0.2786 19 C 0.1898 1.0845 2.2782 C.3 1 UNL1111111111 -0.4518 20 C -3.6084 1.8043 -0.2523 C.3 1 UNL1111111111 -0.2727 21 C -5.4286 0.0364 0.0204 C.3 1 UNL1111111111 -0.0140 22 C 5.0439 1.1366 0.4405 C.3 1 UNL1111111111 -0.3327 23 C -3.2511 -2.0319 0.0449 C.3 1 UNL1111111111 -0.2783 24 C 3.9819 1.7287 -1.7819 C.3 1 UNL1111111111 -0.4757 25 C -2.8813 -0.5746 -1.9807 C.3 1 UNL1111111111 -0.4525 26 C 5.3669 -0.2940 0.8803 C.3 1 UNL1111111111 -0.3111 27 C 4.8232 -1.1304 -0.2868 C.3 1 UNL1111111111 0.0934 28 C -4.6785 -2.4360 -0.3157 C.3 1 UNL1111111111 -0.3825 29 C -5.6724 -1.4555 0.2463 C.2 1 UNL1111111111 0.4657 30 C -6.2429 0.8031 1.0783 C.3 1 UNL1111111111 -0.4502 31 C -5.9930 0.3673 -1.3657 C.3 1 UNL1111111111 -0.4527 32 C 4.3336 -2.5429 0.1070 C.3 1 UNL1111111111 0.3129 33 C 3.5452 -3.1878 -1.0329 C.3 1 UNL1111111111 -0.5072 34 C 5.5227 -3.4204 0.5241 C.3 1 UNL1111111111 -0.5143 35 H 2.7276 0.7867 1.3633 H 1 UNL1111111111 0.1579 36 H 0.2988 3.5472 1.4299 H 1 UNL1111111111 0.1389 37 H 0.2988 3.3328 -0.3249 H 1 UNL1111111111 0.1562 38 H 2.6576 3.1146 1.5444 H 1 UNL1111111111 0.1040 39 H 1.3689 -1.0765 1.2117 H 1 UNL1111111111 0.1503 40 H 1.6318 -1.4409 -0.4731 H 1 UNL1111111111 0.1605 41 H -3.7362 0.3215 1.3108 H 1 UNL1111111111 0.1490 42 H -0.7251 -1.9601 0.9040 H 1 UNL1111111111 0.1403 43 H -0.5764 -1.8873 -0.8641 H 1 UNL1111111111 0.1403 44 H 1.0556 1.9269 -1.8745 H 1 UNL1111111111 0.1500 45 H -0.0741 0.5674 -1.9094 H 1 UNL1111111111 0.1503 46 H 1.6459 0.2826 -2.1934 H 1 UNL1111111111 0.1568 47 H -2.3302 2.6359 1.2994 H 1 UNL1111111111 0.1464 48 H -1.8354 3.0478 -0.3482 H 1 UNL1111111111 0.1451 49 H 1.1849 1.2264 2.7064 H 1 UNL1111111111 0.1414 50 H -0.0974 0.0403 2.4484 H 1 UNL1111111111 0.1561 51 H -0.5121 1.7077 2.8422 H 1 UNL1111111111 0.1412 52 H -4.3741 2.5140 0.1101 H 1 UNL1111111111 0.1368 53 H -3.6339 1.8725 -1.3554 H 1 UNL1111111111 0.1425 54 H 4.8553 1.8099 1.2872 H 1 UNL1111111111 0.1453 55 H 5.8839 1.5796 -0.1180 H 1 UNL1111111111 0.1455 56 H -2.5491 -2.7676 -0.3926 H 1 UNL1111111111 0.1464 57 H -3.1094 -2.0893 1.1421 H 1 UNL1111111111 0.1463 58 H 3.0339 1.9394 -2.2877 H 1 UNL1111111111 0.1674 59 H 4.6039 1.1474 -2.4716 H 1 UNL1111111111 0.1465 60 H 4.4600 2.7028 -1.6172 H 1 UNL1111111111 0.1610 61 H -3.8548 -0.8155 -2.4172 H 1 UNL1111111111 0.1421 62 H -2.1548 -1.2952 -2.3737 H 1 UNL1111111111 0.1468 63 H -2.5830 0.4134 -2.3515 H 1 UNL1111111111 0.1523 64 H 6.4387 -0.4554 1.0525 H 1 UNL1111111111 0.1373 65 H 4.8485 -0.5510 1.8234 H 1 UNL1111111111 0.1666 66 H 5.5671 -1.2141 -1.1109 H 1 UNL1111111111 0.1194 67 H -4.8969 -3.4562 0.0640 H 1 UNL1111111111 0.1684 68 H -4.8082 -2.4988 -1.4147 H 1 UNL1111111111 0.1666 69 H 2.4311 4.4475 -0.3863 H 1 UNL1111111111 0.3071 70 H -7.0463 0.0679 -1.4441 H 1 UNL1111111111 0.1532 71 H -7.3051 0.5241 1.0321 H 1 UNL1111111111 0.1640 72 H -5.9046 0.5692 2.0940 H 1 UNL1111111111 0.1500 73 H -5.4437 -0.1351 -2.1694 H 1 UNL1111111111 0.1488 74 H -6.1766 1.8853 0.9390 H 1 UNL1111111111 0.1429 75 H -5.9496 1.4442 -1.5643 H 1 UNL1111111111 0.1533 76 H 4.1709 -3.3390 -1.9180 H 1 UNL1111111111 0.1555 77 H 3.1252 -4.1552 -0.7466 H 1 UNL1111111111 0.1439 78 H 2.7108 -2.5341 -1.3400 H 1 UNL1111111111 0.1804 79 H 6.0014 -3.0186 1.4255 H 1 UNL1111111111 0.1604 80 H 5.2040 -4.4415 0.7543 H 1 UNL1111111111 0.1502 81 H 6.2794 -3.4796 -0.2632 H 1 UNL1111111111 0.1529 82 H 3.0441 -3.1872 1.4710 H 1 UNL1111111111 0.3111 @BOND 1 1 12 1 2 1 27 1 3 2 10 1 4 2 69 1 5 3 29 2 6 4 32 1 7 4 82 1 8 5 6 1 9 5 7 1 10 5 11 1 11 5 17 1 12 6 8 1 13 6 9 1 14 6 19 1 15 7 10 1 16 7 12 1 17 7 35 1 18 8 10 1 19 8 36 1 20 8 37 1 21 9 14 2 22 9 18 1 23 10 38 1 24 11 16 1 25 11 39 1 26 11 40 1 27 12 22 1 28 12 24 1 29 13 14 1 30 13 15 1 31 13 23 1 32 13 25 1 33 14 16 1 34 15 20 1 35 15 21 1 36 15 41 1 37 16 42 1 38 16 43 1 39 17 44 1 40 17 45 1 41 17 46 1 42 18 20 1 43 18 47 1 44 18 48 1 45 19 49 1 46 19 50 1 47 19 51 1 48 20 52 1 49 20 53 1 50 21 29 1 51 21 30 1 52 21 31 1 53 22 26 1 54 22 54 1 55 22 55 1 56 23 28 1 57 23 56 1 58 23 57 1 59 24 58 1 60 24 59 1 61 24 60 1 62 25 61 1 63 25 62 1 64 25 63 1 65 26 27 1 66 26 64 1 67 26 65 1 68 27 32 1 69 27 66 1 70 28 29 1 71 28 67 1 72 28 68 1 73 30 71 1 74 30 72 1 75 30 74 1 76 31 70 1 77 31 73 1 78 31 75 1 79 32 33 1 80 32 34 1 81 33 76 1 82 33 77 1 83 33 78 1 84 34 79 1 85 34 80 1 86 34 81 1