@MOLECULE (4ar,4bs,5s,6as,6bs,8r,9ar,10as,10bs)-8-cyclohexyl-6b-glycoloyl-5-hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2h-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one 72 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7079 -0.2231 0.6413 O.3 1 UNL11 -0.4632 2 O -3.2356 -1.0111 -1.4622 O.3 1 UNL11 -0.4488 3 O 1.3936 2.9125 1.1362 O.3 1 UNL11 -0.5671 4 O -4.0248 2.6675 -0.6907 O.2 1 UNL11 -0.4446 5 O -4.7146 3.1081 1.8877 O.3 1 UNL11 -0.5235 6 O 6.3953 -1.5152 1.0185 O.2 1 UNL11 -0.4532 7 C -1.0679 1.3971 -0.1543 C.3 1 UNL11 0.0598 8 C -0.3364 0.3503 -1.0384 C.3 1 UNL11 -0.1505 9 C 1.1217 0.7391 -1.2593 C.3 1 UNL11 -0.1173 10 C -2.5299 0.8718 -0.2369 C.3 1 UNL11 0.0790 11 C 1.8175 0.7169 0.1247 C.3 1 UNL11 -0.1868 12 C -2.6765 0.2724 -1.6704 C.3 1 UNL11 0.1095 13 C -1.2542 0.1709 -2.2558 C.3 1 UNL11 -0.3293 14 C -0.4472 1.3543 1.2371 C.3 1 UNL11 -0.3553 15 C 1.0840 1.5442 1.2087 C.3 1 UNL11 0.1605 16 C 3.3234 1.0920 -0.0193 C.3 1 UNL11 0.0303 17 C 1.7992 -0.2704 -2.2004 C.3 1 UNL11 -0.2706 18 C -1.0500 2.8133 -0.7367 C.3 1 UNL11 -0.4705 19 C -3.1096 -1.3763 -0.1003 C.3 1 UNL11 0.3208 20 C -3.5814 1.9016 0.1283 C.2 1 UNL11 0.3977 21 C 3.2965 0.0321 -2.3364 C.3 1 UNL11 -0.3000 22 C 3.9210 0.0797 -0.9770 C.2 1 UNL11 0.0906 23 C 3.5835 2.4990 -0.5874 C.3 1 UNL11 -0.4487 24 C -2.0499 -2.4700 0.0590 C.3 1 UNL11 -0.1682 25 C 3.9726 1.0599 1.3404 C.2 1 UNL11 -0.0883 26 C -4.0545 1.9097 1.5605 C.3 1 UNL11 -0.0913 27 C 4.9200 -0.7452 -0.6371 C.2 1 UNL11 -0.3541 28 C -1.7664 -2.7192 1.5462 C.3 1 UNL11 -0.2687 29 C -2.5446 -3.7537 -0.6225 C.3 1 UNL11 -0.2765 30 C 4.9680 0.2337 1.6711 C.2 1 UNL11 -0.2999 31 C 5.5123 -0.7462 0.7099 C.2 1 UNL11 0.4770 32 C -0.7120 -3.8231 1.6949 C.3 1 UNL11 -0.2618 33 C -1.4914 -4.8586 -0.4749 C.3 1 UNL11 -0.2589 34 C -1.1789 -5.1127 1.0061 C.3 1 UNL11 -0.2644 35 H -0.3377 -0.6277 -0.4773 H 1 UNL11 0.1577 36 H 1.1921 1.7546 -1.7082 H 1 UNL11 0.1423 37 H 1.7937 -0.3463 0.4900 H 1 UNL11 0.1562 38 H -3.3976 0.7935 -2.3270 H 1 UNL11 0.1638 39 H -1.0806 0.9433 -3.0214 H 1 UNL11 0.1540 40 H -1.1054 -0.8028 -2.7526 H 1 UNL11 0.1639 41 H -0.6900 0.3912 1.7317 H 1 UNL11 0.1682 42 H -0.8824 2.1397 1.8879 H 1 UNL11 0.1666 43 H 1.4980 1.2847 2.2175 H 1 UNL11 0.1412 44 H 1.3162 -0.2438 -3.1948 H 1 UNL11 0.1434 45 H 1.6588 -1.3021 -1.8228 H 1 UNL11 0.1479 46 H -1.6457 2.8886 -1.6576 H 1 UNL11 0.1674 47 H -1.4653 3.5444 -0.0294 H 1 UNL11 0.1637 48 H -0.0380 3.1461 -0.9953 H 1 UNL11 0.1445 49 H -4.1256 -1.6468 0.2492 H 1 UNL11 0.1347 50 H 3.4524 0.9951 -2.8652 H 1 UNL11 0.1567 51 H 3.7791 -0.7313 -2.9804 H 1 UNL11 0.1548 52 H 3.3694 3.2798 0.1571 H 1 UNL11 0.1731 53 H 4.6371 2.6137 -0.8740 H 1 UNL11 0.1562 54 H 2.9731 2.7097 -1.4691 H 1 UNL11 0.1445 55 H -1.1057 -2.1402 -0.4428 H 1 UNL11 0.1540 56 H 3.5827 1.8011 2.0445 H 1 UNL11 0.1666 57 H 1.0724 3.3097 0.3002 H 1 UNL11 0.3200 58 H -3.2166 1.8492 2.2847 H 1 UNL11 0.1707 59 H -4.7462 1.0619 1.7497 H 1 UNL11 0.1606 60 H 5.3480 -1.4707 -1.3267 H 1 UNL11 0.1786 61 H -2.6950 -3.0079 2.0719 H 1 UNL11 0.1389 62 H -1.4183 -1.7876 2.0317 H 1 UNL11 0.1441 63 H -2.7512 -3.5583 -1.6925 H 1 UNL11 0.1466 64 H -3.5031 -4.0831 -0.1812 H 1 UNL11 0.1388 65 H 5.4402 0.2346 2.6524 H 1 UNL11 0.1779 66 H -0.5135 -4.0160 2.7650 H 1 UNL11 0.1327 67 H 0.2502 -3.4908 1.2617 H 1 UNL11 0.1384 68 H -0.5678 -4.5760 -1.0136 H 1 UNL11 0.1367 69 H -1.8505 -5.7886 -0.9525 H 1 UNL11 0.1324 70 H -0.4039 -5.8949 1.1009 H 1 UNL11 0.1313 71 H -2.0757 -5.5092 1.5171 H 1 UNL11 0.1352 72 H -5.1512 3.4903 1.0894 H 1 UNL11 0.3319 @BOND 1 1 10 1 2 1 19 1 3 2 12 1 4 2 19 1 5 3 15 1 6 3 57 1 7 4 20 2 8 5 26 1 9 5 72 1 10 6 31 2 11 7 8 1 12 7 14 1 13 7 18 1 14 8 9 1 15 8 13 1 16 8 35 1 17 9 11 1 18 9 17 1 19 9 36 1 20 10 7 1 21 10 20 1 22 11 15 1 23 11 37 1 24 12 10 1 25 12 13 1 26 12 38 1 27 13 39 1 28 13 40 1 29 14 15 1 30 14 41 1 31 14 42 1 32 15 43 1 33 16 11 1 34 16 22 1 35 16 23 1 36 16 25 1 37 17 21 1 38 17 44 1 39 17 45 1 40 18 46 1 41 18 47 1 42 18 48 1 43 19 24 1 44 19 49 1 45 20 26 1 46 21 22 1 47 21 50 1 48 21 51 1 49 22 27 2 50 23 52 1 51 23 53 1 52 23 54 1 53 24 28 1 54 24 29 1 55 24 55 1 56 25 30 2 57 25 56 1 58 26 58 1 59 26 59 1 60 27 31 1 61 27 60 1 62 28 32 1 63 28 61 1 64 28 62 1 65 29 33 1 66 29 63 1 67 29 64 1 68 30 31 1 69 30 65 1 70 32 34 1 71 32 66 1 72 32 67 1 73 33 34 1 74 33 68 1 75 33 69 1 76 34 70 1 77 34 71 1