@MOLECULE (2s,3r,4s)-3-hydroxy-4-[(2s,5r,7s,8r,9s)-9-hydroxy-2-{(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2h-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]-2-methylpentanoic acid 103 107 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3124 -3.3323 1.2414 O.3 1 UNL11 -0.4317 2 O -1.6407 -1.6494 -0.5854 O.3 1 UNL11 -0.4327 3 O 2.7965 -1.5966 1.2291 O.3 1 UNL11 -0.4399 4 O -3.3864 -0.4394 -1.5004 O.3 1 UNL11 -0.4552 5 O 3.5004 0.7253 -0.3453 O.3 1 UNL11 -0.4677 6 O -0.1377 1.0710 -0.9634 O.3 1 UNL11 -0.5953 7 O 5.2752 0.2606 -1.7284 O.3 1 UNL11 -0.5802 8 O -5.7882 3.1717 0.3468 O.3 1 UNL11 -0.5477 9 O 2.7549 0.3097 -2.8909 O.3 1 UNL11 -0.5449 10 O -2.2923 1.1269 2.5240 O.3 1 UNL11 -0.5651 11 O -1.5896 2.7603 1.1865 O.2 1 UNL11 -0.5570 12 C 1.0954 -3.2314 1.0233 C.3 1 UNL11 0.2798 13 C -2.1725 -2.9168 -0.2066 C.3 1 UNL11 0.2631 14 C -0.9719 -3.8437 0.0906 C.3 1 UNL11 0.0796 15 C 1.4340 -1.7365 0.8263 C.3 1 UNL11 0.0738 16 C -2.2259 -1.1891 -1.7838 C.3 1 UNL11 0.4669 17 C 1.3923 -4.0084 -0.2828 C.3 1 UNL11 -0.3255 18 C 0.0630 -3.9375 -1.0407 C.3 1 UNL11 -0.3075 19 C -3.0053 -3.4446 -1.4031 C.3 1 UNL11 -0.3256 20 C 0.6332 -0.6630 1.5931 C.3 1 UNL11 -0.1111 21 C -2.7726 -2.4285 -2.5261 C.3 1 UNL11 -0.3320 22 C 3.0181 -0.2769 1.7189 C.3 1 UNL11 0.1011 23 C 1.6787 0.4753 1.6687 C.3 1 UNL11 -0.3317 24 C -1.1499 -0.3852 -2.5179 C.3 1 UNL11 -0.3760 25 C 4.1433 0.3180 0.8535 C.3 1 UNL11 0.0838 26 C -3.1334 0.7544 -0.7709 C.3 1 UNL11 0.1131 27 C 1.7695 -3.8587 2.2361 C.3 1 UNL11 -0.4708 28 C -2.3761 1.7246 -1.6975 C.3 1 UNL11 -0.2157 29 C -3.0046 -2.7131 1.0527 C.3 1 UNL11 -0.4889 30 C -1.0271 1.0763 -2.0642 C.3 1 UNL11 0.1858 31 C 4.8070 1.5550 1.4912 C.3 1 UNL11 -0.1432 32 C 0.1727 -1.0601 2.9904 C.3 1 UNL11 -0.4528 33 C -4.5310 1.2406 -0.3378 C.3 1 UNL11 -0.1980 34 C 5.8258 2.1129 0.4828 C.3 1 UNL11 -0.2814 35 C 5.1376 2.4591 -0.8468 C.3 1 UNL11 -0.1465 36 C 4.3475 1.2347 -1.3447 C.3 1 UNL11 0.4323 37 C -3.1681 2.0320 -2.9663 C.3 1 UNL11 -0.4420 38 C -4.4895 2.6250 0.3414 C.3 1 UNL11 0.1457 39 C 5.5059 1.2022 2.8035 C.3 1 UNL11 -0.4532 40 C -5.1884 0.1880 0.5536 C.3 1 UNL11 -0.4462 41 C 6.1737 2.8913 -1.8831 C.3 1 UNL11 -0.4465 42 C 3.3571 1.5252 -2.5015 C.3 1 UNL11 -0.0663 43 C -3.9482 2.6302 1.7965 C.3 1 UNL11 -0.2188 44 C -4.0587 4.0324 2.3894 C.3 1 UNL11 -0.4342 45 C -2.4993 2.2316 1.7771 C.2 1 UNL11 0.6603 46 H -1.3431 -4.8474 0.3956 H 1 UNL11 0.1233 47 H 1.4001 -1.4793 -0.2605 H 1 UNL11 0.1341 48 H 2.2312 -3.5682 -0.8426 H 1 UNL11 0.1578 49 H 1.6774 -5.0506 -0.0691 H 1 UNL11 0.1455 50 H 0.0219 -3.0397 -1.6858 H 1 UNL11 0.1594 51 H -0.1011 -4.8050 -1.6918 H 1 UNL11 0.1384 52 H -2.7080 -4.4610 -1.7001 H 1 UNL11 0.1447 53 H -4.0749 -3.5015 -1.1398 H 1 UNL11 0.1511 54 H -0.2490 -0.3754 0.9710 H 1 UNL11 0.1620 55 H -3.7015 -2.1884 -3.0696 H 1 UNL11 0.1594 56 H -2.0506 -2.7957 -3.2720 H 1 UNL11 0.1509 57 H 3.3721 -0.4289 2.7623 H 1 UNL11 0.1287 58 H 1.5362 1.1331 2.5342 H 1 UNL11 0.1395 59 H 1.6125 1.1186 0.7689 H 1 UNL11 0.1760 60 H -1.3454 -0.4128 -3.6056 H 1 UNL11 0.1552 61 H -0.1639 -0.8794 -2.3583 H 1 UNL11 0.1819 62 H 4.8917 -0.4693 0.6045 H 1 UNL11 0.1485 63 H -2.5085 0.4800 0.1127 H 1 UNL11 0.1458 64 H 1.5171 -3.3189 3.1559 H 1 UNL11 0.1574 65 H 1.4552 -4.8982 2.3720 H 1 UNL11 0.1446 66 H 2.8631 -3.8268 2.1311 H 1 UNL11 0.1662 67 H -2.1690 2.6798 -1.1525 H 1 UNL11 0.1591 68 H -2.3827 -2.2846 1.8546 H 1 UNL11 0.1751 69 H -3.8242 -2.0093 0.8680 H 1 UNL11 0.1596 70 H -3.4246 -3.6532 1.4240 H 1 UNL11 0.1467 71 H -0.5011 1.6763 -2.8463 H 1 UNL11 0.1253 72 H 4.0205 2.3231 1.6814 H 1 UNL11 0.1460 73 H -0.5201 -1.9128 2.9514 H 1 UNL11 0.1671 74 H -0.3369 -0.2388 3.5075 H 1 UNL11 0.1249 75 H 1.0217 -1.3614 3.6162 H 1 UNL11 0.1519 76 H -5.1542 1.3515 -1.2657 H 1 UNL11 0.1709 77 H 6.6300 1.3709 0.3051 H 1 UNL11 0.1562 78 H 6.3217 3.0098 0.8964 H 1 UNL11 0.1349 79 H 4.4103 3.2892 -0.6722 H 1 UNL11 0.1442 80 H -2.5726 2.5938 -3.6941 H 1 UNL11 0.1429 81 H -3.5097 1.1070 -3.4518 H 1 UNL11 0.1596 82 H -4.0619 2.6294 -2.7499 H 1 UNL11 0.1470 83 H -3.9337 3.3693 -0.2800 H 1 UNL11 0.1570 84 H 6.1675 0.3353 2.6895 H 1 UNL11 0.1501 85 H 6.1199 2.0366 3.1625 H 1 UNL11 0.1456 86 H 4.7859 0.9697 3.5960 H 1 UNL11 0.1443 87 H -6.1542 0.5168 0.9465 H 1 UNL11 0.1320 88 H -5.3679 -0.7335 -0.0219 H 1 UNL11 0.1651 89 H -4.5464 -0.0867 1.4021 H 1 UNL11 0.1606 90 H -0.4099 1.6972 -0.2587 H 1 UNL11 0.3422 91 H 6.8210 2.0481 -2.1691 H 1 UNL11 0.1681 92 H 5.7061 3.2656 -2.7987 H 1 UNL11 0.1397 93 H 6.8227 3.6832 -1.4937 H 1 UNL11 0.1412 94 H 2.5833 2.2504 -2.1997 H 1 UNL11 0.1378 95 H 3.8864 1.8698 -3.4037 H 1 UNL11 0.1469 96 H -4.5402 1.9128 2.4205 H 1 UNL11 0.1813 97 H 4.8061 -0.5103 -2.1279 H 1 UNL11 0.3442 98 H -6.4292 2.5676 0.7725 H 1 UNL11 0.3153 99 H -5.0763 4.4331 2.2617 H 1 UNL11 0.1689 100 H -3.3795 4.7404 1.8949 H 1 UNL11 0.1625 101 H -3.8314 4.0415 3.4608 H 1 UNL11 0.1481 102 H 2.1604 0.0046 -2.1597 H 1 UNL11 0.3394 103 H -1.3679 0.7422 2.4481 H 1 UNL11 0.3736 @BOND 1 1 12 1 2 1 14 1 3 2 13 1 4 3 15 1 5 3 22 1 6 4 16 1 7 4 26 1 8 5 25 1 9 5 36 1 10 6 30 1 11 6 90 1 12 7 97 1 13 8 38 1 14 8 98 1 15 9 42 1 16 9 102 1 17 10 45 1 18 10 103 1 19 11 45 2 20 12 15 1 21 12 17 1 22 12 27 1 23 13 14 1 24 13 19 1 25 13 29 1 26 14 18 1 27 14 46 1 28 15 20 1 29 15 47 1 30 16 2 1 31 16 21 1 32 16 24 1 33 17 18 1 34 17 48 1 35 17 49 1 36 18 50 1 37 18 51 1 38 19 21 1 39 19 52 1 40 19 53 1 41 20 23 1 42 20 32 1 43 20 54 1 44 21 55 1 45 21 56 1 46 22 23 1 47 22 25 1 48 22 57 1 49 23 58 1 50 23 59 1 51 24 30 1 52 24 60 1 53 24 61 1 54 25 31 1 55 25 62 1 56 26 28 1 57 26 33 1 58 26 63 1 59 27 64 1 60 27 65 1 61 27 66 1 62 28 30 1 63 28 37 1 64 28 67 1 65 29 68 1 66 29 69 1 67 29 70 1 68 30 71 1 69 31 34 1 70 31 39 1 71 31 72 1 72 32 73 1 73 32 74 1 74 32 75 1 75 33 38 1 76 33 40 1 77 33 76 1 78 34 35 1 79 34 77 1 80 34 78 1 81 35 36 1 82 35 41 1 83 35 79 1 84 36 7 1 85 36 42 1 86 37 80 1 87 37 81 1 88 37 82 1 89 38 43 1 90 38 83 1 91 39 84 1 92 39 85 1 93 39 86 1 94 40 87 1 95 40 88 1 96 40 89 1 97 41 91 1 98 41 92 1 99 41 93 1 100 42 94 1 101 42 95 1 102 43 44 1 103 43 45 1 104 43 96 1 105 44 99 1 106 44 100 1 107 44 101 1