@MOLECULE (3s,10r,13r)-17-[(2s,3e)-5-isopropyl-6-methylene-3-octen-2-yl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol 79 82 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.7056 0.5223 0.2374 O.3 1 UNL111111 -0.5676 2 C -0.1480 -0.7774 -0.0139 C.3 1 UNL111111 0.0707 3 C -0.7895 0.6261 0.2004 C.3 1 UNL111111 -0.1464 4 C -2.2116 0.6922 -0.3532 C.3 1 UNL111111 -0.1180 5 C -3.0755 -0.3490 0.3989 C.3 1 UNL111111 -0.1328 6 C 1.2993 -0.5020 0.4906 C.3 1 UNL111111 -0.1336 7 C -0.9654 -1.7592 0.8358 C.3 1 UNL111111 -0.2982 8 C -4.5272 -0.3692 -0.1752 C.3 1 UNL111111 0.0634 9 C 0.2524 1.5961 -0.3729 C.3 1 UNL111111 -0.2790 10 C -2.4367 -1.7523 0.3846 C.3 1 UNL111111 -0.2790 11 C 1.6057 0.9314 -0.0346 C.3 1 UNL111111 -0.2774 12 C -2.7945 2.0970 -0.1239 C.3 1 UNL111111 -0.2853 13 C -0.1367 -1.2180 -1.4817 C.3 1 UNL111111 -0.4573 14 C -5.0512 1.0417 -0.3248 C.2 1 UNL111111 -0.0177 15 C 2.3866 -1.4989 0.0445 C.3 1 UNL111111 -0.1020 16 C -5.4099 -1.1558 0.8287 C.3 1 UNL111111 -0.2825 17 C -4.2708 2.1284 -0.3144 C.2 1 UNL111111 -0.1969 18 C -4.5771 -1.0345 -1.5620 C.3 1 UNL111111 -0.4527 19 C -6.5260 1.1901 -0.5536 C.3 1 UNL111111 -0.3489 20 C -6.9026 -1.0657 0.5105 C.3 1 UNL111111 -0.3329 21 C -7.3237 0.4073 0.4992 C.3 1 UNL111111 0.1783 22 C 2.1696 -2.8945 0.6439 C.3 1 UNL111111 -0.4480 23 C 3.7188 -0.9811 0.5089 C.2 1 UNL111111 -0.1614 24 C 4.6531 -0.5437 -0.3387 C.2 1 UNL111111 -0.1776 25 C 5.9619 0.0275 0.1265 C.3 1 UNL111111 -0.1581 26 C 7.1454 -0.6223 -0.6384 C.3 1 UNL111111 -0.0587 27 C 5.9217 1.5210 -0.0991 C.2 1 UNL111111 0.0777 28 C 7.1421 -2.1388 -0.4176 C.3 1 UNL111111 -0.4533 29 C 8.4748 -0.0280 -0.1601 C.3 1 UNL111111 -0.4592 30 C 6.0318 2.3649 1.1359 C.3 1 UNL111111 -0.5480 31 C 5.7679 2.0673 -1.3075 C.2 1 UNL111111 -0.3891 32 C 4.7801 2.4238 1.8726 C.3 1 UNL111111 0.1481 33 H -0.8485 0.8105 1.3044 H 1 UNL111111 0.1368 34 H -2.2166 0.4706 -1.4430 H 1 UNL111111 0.1425 35 H -3.1406 -0.0157 1.4645 H 1 UNL111111 0.1388 36 H 1.2834 -0.4821 1.6042 H 1 UNL111111 0.1351 37 H -0.5585 -2.7824 0.7532 H 1 UNL111111 0.1372 38 H -0.8953 -1.4921 1.9054 H 1 UNL111111 0.1358 39 H 0.1687 2.5990 0.0693 H 1 UNL111111 0.1328 40 H 0.1294 1.7213 -1.4598 H 1 UNL111111 0.1352 41 H -3.0167 -2.4271 1.0415 H 1 UNL111111 0.1316 42 H -2.5001 -2.1890 -0.6298 H 1 UNL111111 0.1427 43 H 2.1605 1.5070 0.7242 H 1 UNL111111 0.1463 44 H 2.2556 0.8978 -0.9226 H 1 UNL111111 0.1395 45 H -2.5525 2.4491 0.9021 H 1 UNL111111 0.1498 46 H -2.2999 2.8163 -0.8081 H 1 UNL111111 0.1456 47 H -1.1415 -1.2099 -1.9179 H 1 UNL111111 0.1462 48 H 0.4842 -0.5526 -2.0920 H 1 UNL111111 0.1488 49 H 0.2535 -2.2355 -1.5864 H 1 UNL111111 0.1415 50 H 2.3734 -1.5825 -1.0697 H 1 UNL111111 0.1431 51 H -5.2291 -0.7708 1.8515 H 1 UNL111111 0.1424 52 H -5.0981 -2.2166 0.8430 H 1 UNL111111 0.1405 53 H -4.6862 3.1276 -0.4372 H 1 UNL111111 0.1445 54 H -3.8693 -0.5595 -2.2510 H 1 UNL111111 0.1492 55 H -4.3349 -2.1003 -1.5097 H 1 UNL111111 0.1446 56 H -5.5727 -0.9520 -2.0101 H 1 UNL111111 0.1446 57 H -6.7842 0.8372 -1.5723 H 1 UNL111111 0.1517 58 H -6.8407 2.2531 -0.5297 H 1 UNL111111 0.1575 59 H -7.1264 -1.5439 -0.4594 H 1 UNL111111 0.1424 60 H -7.4946 -1.6208 1.2623 H 1 UNL111111 0.1498 61 H -7.2400 0.8723 1.5075 H 1 UNL111111 0.1436 62 H 2.0245 -2.8509 1.7282 H 1 UNL111111 0.1439 63 H 1.2909 -3.3817 0.2083 H 1 UNL111111 0.1432 64 H 3.0330 -3.5414 0.4505 H 1 UNL111111 0.1454 65 H 3.8570 -0.9723 1.5875 H 1 UNL111111 0.1463 66 H 4.5128 -0.5508 -1.4172 H 1 UNL111111 0.1486 67 H -8.9425 0.1360 -0.6248 H 1 UNL111111 0.3114 68 H 6.1037 -0.1901 1.2148 H 1 UNL111111 0.1461 69 H 7.0266 -0.4130 -1.7286 H 1 UNL111111 0.1368 70 H 7.9584 -2.6202 -0.9664 H 1 UNL111111 0.1445 71 H 6.2020 -2.5893 -0.7584 H 1 UNL111111 0.1503 72 H 7.2603 -2.3925 0.6411 H 1 UNL111111 0.1444 73 H 8.5123 1.0533 -0.3346 H 1 UNL111111 0.1455 74 H 8.6329 -0.2001 0.9091 H 1 UNL111111 0.1417 75 H 9.3214 -0.4748 -0.6936 H 1 UNL111111 0.1488 76 H 6.8466 1.9888 1.7994 H 1 UNL111111 0.1928 77 H 6.3633 3.4018 0.8888 H 1 UNL111111 0.1927 78 H 5.6681 1.4908 -2.2127 H 1 UNL111111 0.1536 79 H 5.7263 3.1274 -1.4886 H 1 UNL111111 0.1475 @BOND 1 63 22 1 2 55 18 1 3 64 22 1 4 52 16 1 5 37 7 1 6 41 10 1 7 59 20 1 8 42 10 1 9 60 20 1 10 22 62 1 11 22 15 1 12 49 13 1 13 56 18 1 14 10 7 1 15 10 5 1 16 20 16 1 17 20 21 1 18 18 54 1 19 18 8 1 20 16 51 1 21 16 8 1 22 7 38 1 23 7 2 1 24 71 28 1 25 47 13 1 26 70 28 1 27 13 2 1 28 13 48 1 29 50 15 1 30 67 1 1 31 72 28 1 32 15 23 1 33 15 6 1 34 8 5 1 35 8 14 1 36 28 26 1 37 1 21 1 38 2 6 1 39 2 3 1 40 5 35 1 41 5 4 1 42 21 61 1 43 21 19 1 44 57 19 1 45 23 65 1 46 23 24 2 47 6 36 1 48 6 11 1 49 34 4 1 50 66 24 1 51 19 14 1 52 19 58 1 53 24 25 1 54 14 17 2 55 4 3 1 56 4 12 1 57 26 69 1 58 26 25 1 59 26 29 1 60 3 33 1 61 3 9 1 62 75 29 1 63 68 25 1 64 25 27 1 65 44 11 1 66 11 9 1 67 11 43 1 68 29 74 1 69 29 73 1 70 17 12 1 71 17 53 1 72 40 9 1 73 9 39 1 74 12 45 1 75 12 46 1 76 78 31 1 77 27 31 2 78 27 30 1 79 31 79 1 80 76 30 1 81 32 30 1 82 30 77 1