@MOLECULE (4as,4bs,7s,10as)-7-[(1r)-1,2-dihydroxyethyl]-1,4a,7,9-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-2-phenanthrenyl d-glucopyranoside 78 81 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4893 0.4225 -0.4104 O.3 1 UNL11 -0.4488 2 O 3.2427 -2.2036 0.0388 O.3 1 UNL11 -0.5549 3 O -3.5187 -1.6166 -0.6138 O.3 1 UNL11 -0.4594 4 O 4.9929 -4.1093 -1.0638 O.3 1 UNL11 -0.5637 5 O -4.0810 1.4719 -2.3665 O.3 1 UNL11 -0.5349 6 O -6.5068 1.1402 -0.8827 O.3 1 UNL11 -0.5700 7 O -6.1533 -0.3709 1.5908 O.3 1 UNL11 -0.5464 8 O -3.2449 -3.2358 1.8779 O.3 1 UNL11 -0.5425 9 C 1.4366 1.9678 -0.3007 C.3 1 UNL11 0.0795 10 C 0.9508 1.0537 0.8595 C.3 1 UNL11 -0.1424 11 C 3.0112 2.0347 -0.2753 C.3 1 UNL11 -0.1484 12 C -0.5856 0.8933 0.8866 C.3 1 UNL11 -0.1239 13 C 0.9068 1.3870 -1.6278 C.3 1 UNL11 -0.2928 14 C 1.4456 1.5640 2.2274 C.3 1 UNL11 -0.2830 15 C 3.5152 1.2948 0.9368 C.2 1 UNL11 -0.0044 16 C 2.9605 1.8808 2.2077 C.3 1 UNL11 -0.1033 17 C -1.0594 0.3438 -0.4733 C.3 1 UNL11 0.1258 18 C 3.7479 1.5691 -1.5425 C.3 1 UNL11 -0.2727 19 C -0.6127 1.2349 -1.6348 C.3 1 UNL11 -0.3223 20 C 0.9079 3.4047 -0.1383 C.3 1 UNL11 -0.4668 21 C 4.7667 -0.4326 -0.3814 C.3 1 UNL11 0.0603 22 C 3.9339 0.0509 -1.5810 C.3 1 UNL11 -0.2825 23 C 4.2908 0.2086 0.8908 C.2 1 UNL11 -0.2095 24 C -1.0101 -0.0721 1.9977 C.3 1 UNL11 -0.4494 25 C 3.6392 1.3705 3.4815 C.3 1 UNL11 -0.4504 26 C 4.6150 -1.9703 -0.2258 C.3 1 UNL11 0.1173 27 C 6.2562 -0.0911 -0.5601 C.3 1 UNL11 -0.4616 28 C -3.1675 -0.4231 -1.2874 C.3 1 UNL11 0.2975 29 C 5.0054 -2.7539 -1.4936 C.3 1 UNL11 -0.0646 30 C -4.4752 0.3019 -1.6916 C.3 1 UNL11 0.0618 31 C -5.2774 0.6173 -0.4201 C.3 1 UNL11 0.0488 32 C -4.1891 -1.4138 0.6200 C.3 1 UNL11 0.0151 33 C -5.5206 -0.6810 0.3739 C.3 1 UNL11 0.0410 34 C -4.3970 -2.8278 1.1732 C.3 1 UNL11 -0.0200 35 H 1.3998 0.0384 0.6858 H 1 UNL11 0.1644 36 H 3.2903 3.1155 -0.1456 H 1 UNL11 0.1415 37 H -1.0672 1.8842 1.0597 H 1 UNL11 0.1495 38 H 1.2131 2.0336 -2.4711 H 1 UNL11 0.1395 39 H 1.3695 0.3953 -1.8087 H 1 UNL11 0.1477 40 H 1.2401 0.7923 2.9933 H 1 UNL11 0.1469 41 H 0.8775 2.4581 2.5339 H 1 UNL11 0.1351 42 H 3.0964 2.9920 2.1749 H 1 UNL11 0.1354 43 H -0.7456 -0.7117 -0.6094 H 1 UNL11 0.1247 44 H 3.2322 1.9204 -2.4531 H 1 UNL11 0.1360 45 H 4.7436 2.0572 -1.5696 H 1 UNL11 0.1346 46 H -0.9531 0.8156 -2.5994 H 1 UNL11 0.1425 47 H -1.1170 2.2194 -1.5634 H 1 UNL11 0.1638 48 H 1.2860 3.8726 0.7760 H 1 UNL11 0.1433 49 H -0.1863 3.4271 -0.0813 H 1 UNL11 0.1523 50 H 1.2014 4.0318 -0.9861 H 1 UNL11 0.1421 51 H 4.4056 -0.2481 -2.5320 H 1 UNL11 0.1265 52 H 2.9421 -0.4519 -1.5474 H 1 UNL11 0.1645 53 H 4.6185 -0.2990 1.7953 H 1 UNL11 0.1516 54 H -0.8747 0.3687 2.9906 H 1 UNL11 0.1439 55 H -2.0728 -0.3374 1.9066 H 1 UNL11 0.1481 56 H -0.4349 -1.0046 1.9669 H 1 UNL11 0.1484 57 H 3.2364 1.8708 4.3687 H 1 UNL11 0.1422 58 H 3.4913 0.2921 3.6152 H 1 UNL11 0.1513 59 H 4.7185 1.5572 3.4555 H 1 UNL11 0.1439 60 H 5.1960 -2.3446 0.6483 H 1 UNL11 0.1333 61 H 6.8689 -0.5394 0.2291 H 1 UNL11 0.1470 62 H 6.6442 -0.4274 -1.5250 H 1 UNL11 0.1398 63 H 6.4095 0.9944 -0.5073 H 1 UNL11 0.1562 64 H -2.5639 -0.7777 -2.1452 H 1 UNL11 0.1455 65 H 4.2646 -2.6225 -2.3004 H 1 UNL11 0.1284 66 H 6.0151 -2.4991 -1.8525 H 1 UNL11 0.1223 67 H -5.0697 -0.3170 -2.4021 H 1 UNL11 0.1477 68 H 3.0797 -3.1719 0.0559 H 1 UNL11 0.3267 69 H -4.7806 1.4030 0.1920 H 1 UNL11 0.1521 70 H -3.5245 -0.8206 1.2992 H 1 UNL11 0.1598 71 H -6.2737 -1.3272 -0.1340 H 1 UNL11 0.1676 72 H 5.1561 -4.7081 -1.8152 H 1 UNL11 0.3160 73 H -4.8379 2.1018 -2.3931 H 1 UNL11 0.3351 74 H -5.1964 -2.8565 1.9392 H 1 UNL11 0.1582 75 H -4.6125 -3.5573 0.3713 H 1 UNL11 0.1348 76 H -7.1704 1.1262 -0.1590 H 1 UNL11 0.3376 77 H -5.5514 0.1038 2.2019 H 1 UNL11 0.3207 78 H -2.4572 -3.1662 1.2964 H 1 UNL11 0.3227 @BOND 1 1 17 1 2 1 28 1 3 2 26 1 4 2 68 1 5 3 28 1 6 3 32 1 7 4 29 1 8 4 72 1 9 5 30 1 10 5 73 1 11 6 31 1 12 6 76 1 13 7 33 1 14 7 77 1 15 8 34 1 16 8 78 1 17 9 10 1 18 9 13 1 19 9 20 1 20 10 12 1 21 10 14 1 22 10 35 1 23 11 9 1 24 11 15 1 25 11 18 1 26 11 36 1 27 12 17 1 28 12 24 1 29 12 37 1 30 13 19 1 31 13 38 1 32 13 39 1 33 14 16 1 34 14 40 1 35 14 41 1 36 15 16 1 37 15 23 2 38 16 25 1 39 16 42 1 40 17 19 1 41 17 43 1 42 18 22 1 43 18 44 1 44 18 45 1 45 19 46 1 46 19 47 1 47 20 48 1 48 20 49 1 49 20 50 1 50 21 22 1 51 21 23 1 52 21 26 1 53 21 27 1 54 22 51 1 55 22 52 1 56 23 53 1 57 24 54 1 58 24 55 1 59 24 56 1 60 25 57 1 61 25 58 1 62 25 59 1 63 26 29 1 64 26 60 1 65 27 61 1 66 27 62 1 67 27 63 1 68 28 30 1 69 28 64 1 70 29 65 1 71 29 66 1 72 30 31 1 73 30 67 1 74 31 33 1 75 31 69 1 76 32 33 1 77 32 34 1 78 32 70 1 79 33 71 1 80 34 74 1 81 34 75 1