@MOLECULE 26,27-dihydroxylanosta-7,9(11),24-trien-3-one 79 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.5697 -1.1022 -0.4726 C.3 1 UNL1 0.0449 2 C -3.9225 0.7703 0.1874 C.3 1 UNL1 0.0673 3 C 0.3490 0.0737 0.0167 C.3 1 UNL1 0.0696 4 C -4.7290 -0.5471 0.0257 C.3 1 UNL1 -0.1304 5 C 1.7601 -0.4271 -0.3934 C.3 1 UNL1 -0.1450 6 C 2.9561 0.2257 0.3255 C.3 1 UNL1 -0.0903 7 C 5.3886 -0.2487 0.8790 C.3 1 UNL1 -0.2893 8 C 8.9365 -0.3419 -0.7152 C.3 1 UNL1 0.0014 9 C 7.5567 1.6657 -0.1252 C.3 1 UNL1 -0.0075 10 C 4.2804 -0.3902 -0.1783 C.3 1 UNL1 -0.2760 11 C -0.6885 -1.1980 -2.0091 C.3 1 UNL1 -0.4526 12 C -3.9324 1.3437 1.6137 C.3 1 UNL1 -0.4533 13 C 0.2573 0.2411 1.5433 C.3 1 UNL1 -0.4621 14 C -6.9124 -1.6579 -0.4963 C.3 1 UNL1 -0.4505 15 C -6.7553 -0.3603 1.6284 C.3 1 UNL1 -0.4533 16 C 2.9918 1.7408 0.0849 C.3 1 UNL1 -0.4526 17 H 9.9892 -2.0027 -0.4640 H 1 UNL1 0.3110 18 H 8.8478 1.8510 1.3665 H 1 UNL1 0.3165 19 O -7.9056 0.8049 -1.0204 O.2 1 UNL1 -0.4744 20 C -0.1484 1.3625 -0.6520 C.3 1 UNL1 -0.3025 21 C 0.1995 -2.3420 0.0251 C.3 1 UNL1 -0.2901 22 C -4.1367 -1.6315 0.9438 C.3 1 UNL1 -0.2771 23 C -4.5102 1.7952 -0.8072 C.3 1 UNL1 -0.2787 24 C 1.6900 -1.9584 -0.1124 C.3 1 UNL1 -0.2751 25 C -5.9846 2.0716 -0.5326 C.3 1 UNL1 -0.3795 26 O 9.1032 -1.6694 -0.2307 O.3 1 UNL1 -0.5537 27 O 8.7021 2.2397 0.4800 O.3 1 UNL1 -0.5468 28 C 7.6485 0.1706 -0.1408 C.2 1 UNL1 -0.1357 29 C -6.8063 0.8105 -0.5224 C.2 1 UNL1 0.4654 30 C 6.6969 -0.6626 0.2914 C.2 1 UNL1 -0.1140 31 C -1.6262 1.5098 -0.4590 C.2 1 UNL1 -0.1684 32 C -2.7132 -1.8564 0.5610 C.2 1 UNL1 -0.1870 33 C -6.2625 -0.4353 0.1783 C.3 1 UNL1 -0.0120 34 C -1.9645 -0.8750 0.0384 C.2 1 UNL1 -0.0297 35 C -2.4555 0.5023 -0.1305 C.2 1 UNL1 -0.0474 36 H -4.5458 -0.8802 -1.0349 H 1 UNL1 0.1515 37 H 2.8635 0.0341 1.4209 H 1 UNL1 0.1387 38 H 1.8874 -0.2614 -1.4872 H 1 UNL1 0.1351 39 H -1.9844 2.5300 -0.5827 H 1 UNL1 0.1432 40 H -2.3356 -2.8630 0.7076 H 1 UNL1 0.1475 41 H 0.3764 2.2448 -0.2345 H 1 UNL1 0.1484 42 H 0.0974 1.3631 -1.7335 H 1 UNL1 0.1537 43 H -0.0534 -2.5700 1.0735 H 1 UNL1 0.1400 44 H -0.0457 -3.2434 -0.5546 H 1 UNL1 0.1385 45 H -4.2071 -1.3308 2.0087 H 1 UNL1 0.1540 46 H -4.7185 -2.5702 0.8582 H 1 UNL1 0.1470 47 H -3.9479 2.7476 -0.7577 H 1 UNL1 0.1452 48 H -4.3760 1.4227 -1.8419 H 1 UNL1 0.1487 49 H 2.1646 -2.5207 -0.9305 H 1 UNL1 0.1325 50 H 2.2381 -2.2166 0.8072 H 1 UNL1 0.1379 51 H -6.1144 2.5893 0.4406 H 1 UNL1 0.1684 52 H -6.3909 2.7750 -1.2907 H 1 UNL1 0.1708 53 H 6.8397 -1.7470 0.2249 H 1 UNL1 0.1687 54 H -1.1885 -0.3214 -2.4346 H 1 UNL1 0.1515 55 H 0.2906 -1.2938 -2.4862 H 1 UNL1 0.1459 56 H -1.2840 -2.0745 -2.2896 H 1 UNL1 0.1474 57 H -3.3712 2.2841 1.6610 H 1 UNL1 0.1474 58 H -4.9467 1.5468 1.9699 H 1 UNL1 0.1461 59 H -3.4604 0.6514 2.3211 H 1 UNL1 0.1515 60 H 0.6211 -0.6467 2.0699 H 1 UNL1 0.1478 61 H 0.8442 1.0980 1.8870 H 1 UNL1 0.1429 62 H -0.7775 0.4086 1.8662 H 1 UNL1 0.1550 63 H -6.6307 -2.5926 -0.0038 H 1 UNL1 0.1441 64 H -8.0091 -1.5833 -0.4679 H 1 UNL1 0.1658 65 H -6.6323 -1.7330 -1.5528 H 1 UNL1 0.1496 66 H -6.3057 0.4726 2.1794 H 1 UNL1 0.1484 67 H -7.8459 -0.2335 1.6662 H 1 UNL1 0.1562 68 H -6.5217 -1.2807 2.1755 H 1 UNL1 0.1533 69 H 5.4163 0.7876 1.2691 H 1 UNL1 0.1441 70 H 5.1514 -0.8812 1.7599 H 1 UNL1 0.1485 71 H 9.8029 0.2718 -0.3980 H 1 UNL1 0.1352 72 H 8.8948 -0.3799 -1.8217 H 1 UNL1 0.1231 73 H 6.6605 2.0476 0.3994 H 1 UNL1 0.1253 74 H 7.5775 2.0934 -1.1486 H 1 UNL1 0.1464 75 H 4.1519 -1.4588 -0.4281 H 1 UNL1 0.1424 76 H 4.5883 0.0942 -1.1232 H 1 UNL1 0.1425 77 H 2.1799 2.2503 0.6150 H 1 UNL1 0.1432 78 H 3.9307 2.1793 0.4402 H 1 UNL1 0.1421 79 H 2.8981 1.9800 -0.9797 H 1 UNL1 0.1434 @BOND 1 55 11 1 2 54 11 1 3 56 11 1 4 11 1 1 5 48 23 1 6 72 8 1 7 42 20 1 8 65 14 1 9 38 5 1 10 52 25 1 11 74 9 1 12 76 10 1 13 36 4 1 14 19 29 2 15 79 16 1 16 49 24 1 17 23 47 1 18 23 25 1 19 23 2 1 20 8 71 1 21 8 26 1 22 8 28 1 23 20 31 1 24 20 41 1 25 20 3 1 26 39 31 1 27 44 21 1 28 25 29 1 29 25 51 1 30 29 33 1 31 14 64 1 32 14 63 1 33 14 33 1 34 1 3 1 35 1 21 1 36 1 34 1 37 17 26 1 38 31 35 2 39 75 10 1 40 5 24 1 41 5 3 1 42 5 6 1 43 10 6 1 44 10 7 1 45 28 9 1 46 28 30 2 47 35 34 1 48 35 2 1 49 9 73 1 50 9 27 1 51 24 21 1 52 24 50 1 53 3 13 1 54 21 43 1 55 4 33 1 56 4 2 1 57 4 22 1 58 34 32 2 59 16 6 1 60 16 78 1 61 16 77 1 62 33 15 1 63 2 12 1 64 53 30 1 65 30 7 1 66 6 37 1 67 27 18 1 68 32 40 1 69 32 22 1 70 46 22 1 71 7 69 1 72 7 70 1 73 22 45 1 74 13 62 1 75 13 61 1 76 13 60 1 77 12 57 1 78 12 58 1 79 12 59 1 80 15 67 1 81 15 68 1 82 15 66 1