@MOLECULE (1beta,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 3-methylbutanoate 68 72 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.3902 2.3471 1.8027 O.3 1 UNL11 -0.4582 2 O -0.7574 -1.7742 1.9781 O.3 1 UNL11 -0.3863 3 O 2.2121 3.1183 0.6490 O.3 1 UNL11 -0.5978 4 O 0.0500 3.9004 -0.7594 O.3 1 UNL11 -0.5349 5 O -2.3740 -1.2879 -0.7030 O.3 1 UNL11 -0.4502 6 O 3.7422 1.4996 -1.4434 O.3 1 UNL11 -0.5020 7 O -2.9139 -1.5514 2.3017 O.2 1 UNL11 -0.4472 8 O 5.9257 -0.1663 -1.4704 O.2 1 UNL11 -0.4023 9 O -3.6655 -2.5570 -1.8764 O.2 1 UNL11 -0.4291 10 C 0.2224 0.1465 0.9832 C.3 1 UNL11 -0.0669 11 C 1.6308 0.7350 0.7228 C.3 1 UNL11 -0.2468 12 C 2.4900 -0.1371 -0.1774 C.3 1 UNL11 0.0486 13 C -0.8459 0.3581 -0.1132 C.3 1 UNL11 -0.1760 14 C 1.1643 2.2024 0.5949 C.3 1 UNL11 0.4328 15 C 0.3045 -1.3767 1.1078 C.3 1 UNL11 0.1035 16 C 2.8108 -1.3987 0.7320 C.3 1 UNL11 -0.1654 17 C -1.0690 1.8165 -0.5775 C.3 1 UNL11 -0.0998 18 C -0.1270 1.0538 2.1906 C.3 1 UNL11 -0.0327 19 C 0.3109 2.5219 -0.6508 C.3 1 UNL11 0.0912 20 C 1.6410 -1.8793 1.6260 C.3 1 UNL11 -0.3094 21 C -2.1185 -0.3826 0.3528 C.3 1 UNL11 0.0198 22 C 3.8745 0.5100 -0.4534 C.3 1 UNL11 0.0149 23 C 1.8611 -0.4873 -1.5213 C.3 1 UNL11 -0.4546 24 C 3.4985 -2.3986 -0.1559 C.2 1 UNL11 0.1317 25 C -2.0622 2.6524 0.2252 C.3 1 UNL11 -0.4471 26 C -1.9717 -1.2706 1.6106 C.2 1 UNL11 0.5482 27 C 4.8688 -0.5249 -1.0211 C.2 1 UNL11 0.4463 28 C 4.4897 -1.9491 -0.9466 C.2 1 UNL11 -0.3762 29 C 3.1002 -3.8264 -0.1211 C.3 1 UNL11 -0.4680 30 C -3.6473 -1.7158 -1.0207 C.2 1 UNL11 0.6107 31 C -4.8270 -1.1058 -0.3404 C.3 1 UNL11 -0.4143 32 C -5.1562 0.2596 -0.9810 C.3 1 UNL11 -0.0378 33 C -6.0059 1.0897 -0.0158 C.3 1 UNL11 -0.4573 34 C -5.8940 0.0569 -2.3068 C.3 1 UNL11 -0.4630 35 H 2.3519 3.4563 1.5632 H 1 UNL11 0.3615 36 H 0.8490 4.4134 -0.5017 H 1 UNL11 0.3322 37 H 3.3288 2.2982 -1.0358 H 1 UNL11 0.3265 38 H 2.2057 0.7452 1.7057 H 1 UNL11 0.1713 39 H -0.4983 -0.1831 -1.0463 H 1 UNL11 0.1889 40 H 0.1018 -1.8825 0.1229 H 1 UNL11 0.1592 41 H 3.5997 -1.0657 1.4708 H 1 UNL11 0.1571 42 H -1.4704 1.7681 -1.6267 H 1 UNL11 0.1517 43 H -1.1996 1.2041 2.3739 H 1 UNL11 0.1479 44 H 0.3726 0.7627 3.1260 H 1 UNL11 0.1376 45 H 0.8710 2.2228 -1.5702 H 1 UNL11 0.1400 46 H 1.6217 -2.9835 1.7065 H 1 UNL11 0.1677 47 H 1.7959 -1.5335 2.6681 H 1 UNL11 0.1576 48 H -2.9654 0.3227 0.5182 H 1 UNL11 0.1713 49 H 4.3129 0.9608 0.4655 H 1 UNL11 0.1367 50 H 1.1266 -1.2958 -1.4556 H 1 UNL11 0.1495 51 H 2.6144 -0.8184 -2.2541 H 1 UNL11 0.1742 52 H 1.3918 0.3912 -1.9833 H 1 UNL11 0.1594 53 H -1.7092 2.8803 1.2378 H 1 UNL11 0.1698 54 H -3.0511 2.1919 0.2918 H 1 UNL11 0.1319 55 H -2.1975 3.6363 -0.2561 H 1 UNL11 0.1725 56 H 5.0734 -2.6038 -1.5904 H 1 UNL11 0.1822 57 H 2.0350 -3.9539 -0.3762 H 1 UNL11 0.1728 58 H 3.2563 -4.2713 0.8738 H 1 UNL11 0.1661 59 H 3.6692 -4.4437 -0.8332 H 1 UNL11 0.1665 60 H -4.6742 -1.0174 0.7569 H 1 UNL11 0.1938 61 H -5.7015 -1.7886 -0.4353 H 1 UNL11 0.1894 62 H -4.2055 0.8127 -1.1893 H 1 UNL11 0.1360 63 H -6.9414 0.5788 0.2404 H 1 UNL11 0.1511 64 H -6.2784 2.0549 -0.4592 H 1 UNL11 0.1500 65 H -5.4784 1.2969 0.9216 H 1 UNL11 0.1460 66 H -6.8765 -0.4059 -2.1603 H 1 UNL11 0.1508 67 H -5.3279 -0.5937 -2.9868 H 1 UNL11 0.1583 68 H -6.0562 1.0094 -2.8236 H 1 UNL11 0.1481 @BOND 1 67 34 1 2 68 34 1 3 34 66 1 4 34 32 1 5 51 23 1 6 52 23 1 7 9 30 2 8 42 17 1 9 56 28 1 10 45 19 1 11 23 50 1 12 23 12 1 13 8 27 2 14 6 37 1 15 6 22 1 16 62 32 1 17 39 13 1 18 27 28 1 19 27 22 1 20 30 5 1 21 30 31 1 22 32 31 1 23 32 33 1 24 28 24 2 25 59 29 1 26 4 19 1 27 4 36 1 28 5 21 1 29 19 17 1 30 19 14 1 31 17 13 1 32 17 25 1 33 64 33 1 34 22 12 1 35 22 49 1 36 61 31 1 37 57 29 1 38 31 60 1 39 55 25 1 40 12 11 1 41 12 16 1 42 24 29 1 43 24 16 1 44 29 58 1 45 13 21 1 46 13 10 1 47 33 63 1 48 33 65 1 49 40 15 1 50 25 54 1 51 25 53 1 52 21 48 1 53 21 26 1 54 14 3 1 55 14 11 1 56 14 1 1 57 3 35 1 58 11 10 1 59 11 38 1 60 16 41 1 61 16 20 1 62 10 15 1 63 10 18 1 64 15 20 1 65 15 2 1 66 26 2 1 67 26 7 2 68 20 46 1 69 20 47 1 70 1 18 1 71 18 43 1 72 18 44 1