@MOLECULE (4ar,4bs,5s,6as,6bs,9ar,10as,10bs)-6b-glycoloyl-5-hydroxy-4a,6a,8-trimethyl-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]oxazol-2-one 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.0153 -2.6036 0.2053 O.2 1 UNL1111 -0.4005 2 O -0.8010 2.5847 0.0638 O.3 1 UNL1111 -0.5758 3 O 4.5790 0.8105 1.1026 O.2 1 UNL1111 -0.4518 4 O 4.7953 2.8164 -0.7256 O.3 1 UNL1111 -0.5227 5 O -6.3167 -1.0300 -1.5609 O.2 1 UNL1111 -0.4574 6 N 2.8886 -0.9460 -1.3323 N.2 1 UNL1111 -0.5361 7 C 1.4077 0.4482 0.1994 C.3 1 UNL1111 0.0865 8 C 0.5337 -0.7530 0.6615 C.3 1 UNL1111 -0.1484 9 C -0.8440 -0.2781 1.1228 C.3 1 UNL1111 -0.1127 10 C 2.7870 -0.2489 -0.0439 C.3 1 UNL1111 -0.0008 11 C -1.5509 0.3220 -0.1190 C.3 1 UNL1111 -0.1546 12 C 1.4287 -1.5087 1.6547 C.3 1 UNL1111 -0.3212 13 C 0.7519 1.0552 -1.0391 C.3 1 UNL1111 -0.3641 14 C 2.8198 -1.4275 1.0171 C.3 1 UNL1111 0.0857 15 C -0.7139 1.4471 -0.7729 C.3 1 UNL1111 0.1607 16 C -3.0078 0.7627 0.2178 C.3 1 UNL1111 0.0285 17 C -1.6444 -1.4586 1.6916 C.3 1 UNL1111 -0.2740 18 C 1.6076 1.5018 1.2932 C.3 1 UNL1111 -0.4870 19 C -3.0820 -1.0344 2.0165 C.3 1 UNL1111 -0.2980 20 C -3.7047 -0.4572 0.7847 C.2 1 UNL1111 0.0981 21 C 3.9482 0.7202 0.0790 C.2 1 UNL1111 0.4245 22 C -3.0982 1.8973 1.2522 C.3 1 UNL1111 -0.4358 23 C -3.6660 1.2724 -1.0388 C.2 1 UNL1111 -0.0888 24 C 3.0053 -2.2198 -1.1162 C.2 1 UNL1111 0.4407 25 C -4.7805 -1.0169 0.2150 C.2 1 UNL1111 -0.3594 26 C 4.2919 1.5654 -1.1268 C.3 1 UNL1111 -0.0875 27 C -4.7363 0.7076 -1.6033 C.2 1 UNL1111 -0.3002 28 C 3.1450 -3.3290 -2.0737 C.3 1 UNL1111 -0.4568 29 C -5.3676 -0.4979 -1.0290 C.2 1 UNL1111 0.4795 30 H 0.3789 -1.4293 -0.2218 H 1 UNL1111 0.1494 31 H -0.7467 0.5098 1.9058 H 1 UNL1111 0.1577 32 H -1.6376 -0.4922 -0.8869 H 1 UNL1111 0.1494 33 H 1.4170 -1.0473 2.6564 H 1 UNL1111 0.1612 34 H 1.1117 -2.5574 1.7886 H 1 UNL1111 0.1643 35 H 0.7979 0.3355 -1.8847 H 1 UNL1111 0.1780 36 H 1.3171 1.9388 -1.3921 H 1 UNL1111 0.1552 37 H 3.6672 -1.4025 1.7196 H 1 UNL1111 0.1677 38 H -1.1879 1.7600 -1.7365 H 1 UNL1111 0.1205 39 H -1.1507 -1.8444 2.6030 H 1 UNL1111 0.1431 40 H -1.6557 -2.2997 0.9717 H 1 UNL1111 0.1463 41 H 2.1808 1.1113 2.1444 H 1 UNL1111 0.1631 42 H 2.1461 2.3814 0.9197 H 1 UNL1111 0.1563 43 H 0.6480 1.8526 1.7002 H 1 UNL1111 0.1751 44 H -3.0903 -0.2904 2.8402 H 1 UNL1111 0.1592 45 H -3.6572 -1.9006 2.4007 H 1 UNL1111 0.1536 46 H -2.4085 1.7424 2.0882 H 1 UNL1111 0.1537 47 H -2.8256 2.8681 0.8120 H 1 UNL1111 0.1735 48 H -4.1141 1.9909 1.6513 H 1 UNL1111 0.1474 49 H -3.2141 2.1781 -1.4506 H 1 UNL1111 0.1577 50 H 0.0233 3.1084 0.0388 H 1 UNL1111 0.3222 51 H -5.2778 -1.8931 0.6267 H 1 UNL1111 0.1786 52 H 3.4130 1.8138 -1.7534 H 1 UNL1111 0.1716 53 H 5.0393 1.0466 -1.7621 H 1 UNL1111 0.1579 54 H -5.2103 1.0973 -2.5026 H 1 UNL1111 0.1762 55 H 3.1055 -2.9739 -3.1186 H 1 UNL1111 0.1890 56 H 2.3442 -4.0774 -1.9424 H 1 UNL1111 0.1843 57 H 4.1042 -3.8593 -1.9366 H 1 UNL1111 0.1867 58 H 5.4216 2.7050 0.0288 H 1 UNL1111 0.3303 @BOND 1 1 14 1 2 1 24 1 3 2 15 1 4 2 50 1 5 3 21 2 6 4 26 1 7 4 58 1 8 5 29 2 9 6 10 1 10 6 24 2 11 7 8 1 12 7 10 1 13 7 13 1 14 7 18 1 15 8 9 1 16 8 12 1 17 8 30 1 18 9 11 1 19 9 17 1 20 9 31 1 21 10 14 1 22 10 21 1 23 11 15 1 24 11 16 1 25 11 32 1 26 12 14 1 27 12 33 1 28 12 34 1 29 13 15 1 30 13 35 1 31 13 36 1 32 14 37 1 33 15 38 1 34 16 20 1 35 16 22 1 36 16 23 1 37 17 19 1 38 17 39 1 39 17 40 1 40 18 41 1 41 18 42 1 42 18 43 1 43 19 20 1 44 19 44 1 45 19 45 1 46 20 25 2 47 21 26 1 48 22 46 1 49 22 47 1 50 22 48 1 51 23 27 2 52 23 49 1 53 24 28 1 54 25 29 1 55 25 51 1 56 26 52 1 57 26 53 1 58 27 29 1 59 27 54 1 60 28 55 1 61 28 56 1 62 28 57 1