@MOLECULE (1beta,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl (2r)-2-acetoxy-2-methylbutanoate 74 78 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7373 2.7017 1.9913 O.3 1 UNL1111111111 -0.4059 2 O -0.5909 -1.8650 1.1967 O.3 1 UNL1111111111 -0.4566 3 O -2.7880 2.8543 -0.3431 O.3 1 UNL1111111111 -0.5629 4 O 0.5057 2.3430 -1.3606 O.3 1 UNL1111111111 -0.5651 5 O 2.3029 -0.0812 0.4865 O.3 1 UNL1111111111 -0.4305 6 O -4.0624 1.2502 -2.0807 O.3 1 UNL1111111111 -0.5769 7 O 1.0495 -2.5328 -0.0351 O.2 1 UNL1111111111 -0.4239 8 O -6.0933 -0.3873 -2.4477 O.2 1 UNL1111111111 -0.4587 9 O 2.8405 -0.2926 -1.6960 O.2 1 UNL1111111111 -0.4330 10 O 5.3992 -0.4762 -1.0896 O.3 1 UNL1111111111 -0.4357 11 O 7.3570 -0.2035 0.0050 O.2 1 UNL1111111111 -0.5197 12 C -1.2885 0.4815 1.2784 C.3 1 UNL1111111111 -0.0610 13 C -1.9502 0.5496 -0.1131 C.3 1 UNL1111111111 -0.1823 14 C 0.2387 0.7769 1.1797 C.3 1 UNL1111111111 -0.2201 15 C -3.3995 -0.0198 -0.1351 C.3 1 UNL1111111111 0.0657 16 C 0.1767 2.2996 0.9627 C.3 1 UNL1111111111 0.2737 17 C -1.4000 -0.9098 1.8887 C.3 1 UNL1111111111 0.1282 18 C -1.7829 1.9525 -0.7476 C.3 1 UNL1111111111 0.1130 19 C -1.7150 1.6686 2.1748 C.3 1 UNL1111111111 -0.0561 20 C -3.2888 -1.5073 0.3466 C.3 1 UNL1111111111 -0.1726 21 C -0.4648 2.6867 -0.3901 C.3 1 UNL1111111111 0.0637 22 C -2.7983 -1.5302 1.7995 C.3 1 UNL1111111111 -0.2997 23 C 0.9173 -0.1272 0.1777 C.3 1 UNL1111111111 0.0349 24 C -3.9079 -0.0681 -1.6024 C.3 1 UNL1111111111 0.0199 25 C -4.4291 0.7248 0.7109 C.3 1 UNL1111111111 -0.4592 26 C 1.4708 3.0444 1.2129 C.3 1 UNL1111111111 -0.4651 27 C -4.5486 -2.2970 0.1268 C.2 1 UNL1111111111 0.1614 28 C 0.4907 -1.5741 0.4240 C.2 1 UNL1111111111 0.5567 29 C -5.2460 -0.8077 -1.6924 C.2 1 UNL1111111111 0.4348 30 C -5.4189 -1.9819 -0.8488 C.2 1 UNL1111111111 -0.3965 31 C -4.7721 -3.4989 0.9751 C.3 1 UNL1111111111 -0.4767 32 C 3.1860 -0.1988 -0.5569 C.2 1 UNL1111111111 0.5689 33 C 4.5995 -0.1349 0.0424 C.3 1 UNL1111111111 0.2565 34 C 4.7708 -1.1652 1.1608 C.3 1 UNL1111111111 -0.2994 35 C 4.8748 1.2954 0.4816 C.3 1 UNL1111111111 -0.5017 36 C 4.4699 -2.5798 0.6779 C.3 1 UNL1111111111 -0.4430 37 C 6.7522 -0.4938 -0.9929 C.2 1 UNL1111111111 0.6481 38 C 7.3127 -0.9139 -2.3090 C.3 1 UNL1111111111 -0.5116 39 H -1.3637 -0.1386 -0.7871 H 1 UNL1111111111 0.1503 40 H 0.7268 0.6062 2.1784 H 1 UNL1111111111 0.1776 41 H -1.0180 -0.9288 2.9369 H 1 UNL1111111111 0.1376 42 H -1.8403 1.8470 -1.8620 H 1 UNL1111111111 0.1379 43 H -1.7043 1.4373 3.2491 H 1 UNL1111111111 0.1252 44 H -2.6754 2.1287 1.8822 H 1 UNL1111111111 0.1694 45 H -2.4995 -2.0211 -0.2808 H 1 UNL1111111111 0.1839 46 H -0.6509 3.7871 -0.4056 H 1 UNL1111111111 0.1522 47 H -2.7392 -2.5737 2.1748 H 1 UNL1111111111 0.1634 48 H -3.4984 -1.0014 2.4708 H 1 UNL1111111111 0.1563 49 H 0.7445 0.1689 -0.8918 H 1 UNL1111111111 0.2089 50 H -3.1633 -0.5508 -2.2796 H 1 UNL1111111111 0.1565 51 H -5.3831 0.1829 0.7554 H 1 UNL1111111111 0.1516 52 H -4.0998 0.8726 1.7444 H 1 UNL1111111111 0.1530 53 H -4.6565 1.7216 0.3071 H 1 UNL1111111111 0.1686 54 H 1.9299 2.7523 2.1648 H 1 UNL1111111111 0.1564 55 H 2.1887 2.8460 0.4027 H 1 UNL1111111111 0.1754 56 H 1.3033 4.1285 1.2575 H 1 UNL1111111111 0.1593 57 H -3.6159 2.6262 -0.8318 H 1 UNL1111111111 0.3401 58 H 0.3337 2.7978 -2.2078 H 1 UNL1111111111 0.3245 59 H -6.3155 -2.5682 -1.0485 H 1 UNL1111111111 0.1877 60 H -4.9127 1.3385 -2.5826 H 1 UNL1111111111 0.3555 61 H -3.8728 -4.1331 1.0356 H 1 UNL1111111111 0.1744 62 H -5.5835 -4.1410 0.5997 H 1 UNL1111111111 0.1675 63 H -5.0461 -3.2177 2.0042 H 1 UNL1111111111 0.1697 64 H 4.1080 -0.9024 2.0108 H 1 UNL1111111111 0.1610 65 H 5.8068 -1.1099 1.5589 H 1 UNL1111111111 0.1716 66 H 4.8426 1.9912 -0.3672 H 1 UNL1111111111 0.1662 67 H 4.1428 1.6364 1.2259 H 1 UNL1111111111 0.1706 68 H 5.8741 1.3880 0.9354 H 1 UNL1111111111 0.1858 69 H 5.0745 -2.8491 -0.1962 H 1 UNL1111111111 0.1508 70 H 4.6719 -3.3194 1.4605 H 1 UNL1111111111 0.1468 71 H 3.4143 -2.6983 0.3883 H 1 UNL1111111111 0.1686 72 H 7.9027 -0.0978 -2.7545 H 1 UNL1111111111 0.1851 73 H 6.5297 -1.1951 -3.0337 H 1 UNL1111111111 0.1936 74 H 7.9847 -1.7774 -2.1847 H 1 UNL1111111111 0.1854 @BOND 1 1 16 1 2 1 19 1 3 2 17 1 4 2 28 1 5 3 18 1 6 3 57 1 7 4 21 1 8 4 58 1 9 5 23 1 10 5 32 1 11 6 24 1 12 6 60 1 13 7 28 2 14 8 29 2 15 9 32 2 16 10 33 1 17 10 37 1 18 11 37 2 19 12 13 1 20 12 14 1 21 12 17 1 22 12 19 1 23 13 15 1 24 13 18 1 25 13 39 1 26 14 16 1 27 14 23 1 28 14 40 1 29 15 20 1 30 15 24 1 31 15 25 1 32 16 21 1 33 16 26 1 34 17 22 1 35 17 41 1 36 18 21 1 37 18 42 1 38 19 43 1 39 19 44 1 40 20 22 1 41 20 27 1 42 20 45 1 43 21 46 1 44 22 47 1 45 22 48 1 46 23 28 1 47 23 49 1 48 24 29 1 49 24 50 1 50 25 51 1 51 25 52 1 52 25 53 1 53 26 54 1 54 26 55 1 55 26 56 1 56 27 30 2 57 27 31 1 58 29 30 1 59 30 59 1 60 31 61 1 61 31 62 1 62 31 63 1 63 32 33 1 64 33 34 1 65 33 35 1 66 34 36 1 67 34 64 1 68 34 65 1 69 35 66 1 70 35 67 1 71 35 68 1 72 36 69 1 73 36 70 1 74 36 71 1 75 37 38 1 76 38 72 1 77 38 73 1 78 38 74 1