@MOLECULE (1beta,11beta,12alpha,15beta)-1,11,12,14,15-pentahydroxy-11,20-epoxypicrasa-3,13(21)-diene-2,16-dione 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2770 1.7204 -1.8103 O.3 1 UNL1111111111 -0.4437 2 O 1.7272 -2.4675 -0.8360 O.3 1 UNL1111111111 -0.4328 3 O 1.3572 -0.2069 1.8867 O.3 1 UNL1111111111 -0.5510 4 O -0.6836 2.8356 -1.4421 O.3 1 UNL1111111111 -0.5249 5 O 1.1719 3.7880 0.2331 O.3 1 UNL1111111111 -0.5372 6 O -2.7336 1.9115 0.8014 O.3 1 UNL1111111111 -0.5209 7 O 3.7894 -0.9913 1.5969 O.3 1 UNL1111111111 -0.4984 8 O 3.8376 -2.8621 -0.4972 O.2 1 UNL1111111111 -0.3790 9 O -5.1810 0.6826 0.2923 O.2 1 UNL1111111111 -0.4476 10 C 0.8967 -0.2462 -0.5801 C.3 1 UNL1111111111 -0.1350 11 C -0.4276 0.5341 -0.7768 C.3 1 UNL1111111111 -0.2087 12 C -1.5931 -0.0104 0.0361 C.3 1 UNL1111111111 0.0798 13 C 1.8396 0.1276 0.6024 C.3 1 UNL1111111111 0.2307 14 C 0.1905 1.9405 -0.8673 C.3 1 UNL1111111111 0.4563 15 C 0.5996 -1.7273 -0.4027 C.3 1 UNL1111111111 0.1246 16 C -1.9081 -1.3851 -0.7029 C.3 1 UNL1111111111 -0.1763 17 C 1.6001 0.3235 -1.8514 C.3 1 UNL1111111111 -0.0331 18 C -0.6554 -2.1862 -1.1386 C.3 1 UNL1111111111 -0.3028 19 C 0.8229 2.4365 0.4548 C.3 1 UNL1111111111 0.0705 20 C 2.0584 1.6180 0.7314 C.2 1 UNL1111111111 -0.0569 21 C -2.8592 0.8620 -0.1343 C.3 1 UNL1111111111 0.0203 22 C 3.1351 -0.7259 0.3869 C.3 1 UNL1111111111 -0.0166 23 C -1.3544 -0.1779 1.5327 C.3 1 UNL1111111111 -0.4499 24 C -2.9610 -2.0851 0.1082 C.2 1 UNL1111111111 0.1402 25 C 2.9448 -2.0897 -0.3044 C.2 1 UNL1111111111 0.5322 26 C -4.1398 0.0754 0.2187 C.2 1 UNL1111111111 0.4293 27 C -4.0337 -1.3644 0.4868 C.2 1 UNL1111111111 -0.3776 28 C 3.2192 2.1639 1.0850 C.2 1 UNL1111111111 -0.2598 29 C -2.8261 -3.5256 0.4329 C.3 1 UNL1111111111 -0.4697 30 H -0.7751 0.3787 -1.8572 H 1 UNL1111111111 0.1844 31 H 0.4622 -1.9946 0.6825 H 1 UNL1111111111 0.1217 32 H -2.4162 -1.1108 -1.6752 H 1 UNL1111111111 0.1617 33 H 2.6963 0.2845 -1.8697 H 1 UNL1111111111 0.1441 34 H 1.2081 -0.1033 -2.7878 H 1 UNL1111111111 0.1404 35 H -0.7973 -3.2737 -0.9912 H 1 UNL1111111111 0.1655 36 H -0.5030 -2.0796 -2.2326 H 1 UNL1111111111 0.1627 37 H 0.0814 2.3577 1.2859 H 1 UNL1111111111 0.1590 38 H -2.9367 1.3005 -1.1553 H 1 UNL1111111111 0.1553 39 H 3.8936 -0.1568 -0.2138 H 1 UNL1111111111 0.1838 40 H -0.9202 -1.1444 1.7948 H 1 UNL1111111111 0.1327 41 H -0.7169 0.6296 1.9251 H 1 UNL1111111111 0.1795 42 H -2.2898 -0.1014 2.1099 H 1 UNL1111111111 0.1695 43 H 0.9844 -1.1204 1.9259 H 1 UNL1111111111 0.3206 44 H -0.2257 3.7033 -1.5921 H 1 UNL1111111111 0.3544 45 H -4.8748 -1.7935 1.0273 H 1 UNL1111111111 0.1837 46 H 4.1162 1.6022 1.3084 H 1 UNL1111111111 0.1609 47 H 3.3615 3.2347 1.1679 H 1 UNL1111111111 0.1634 48 H 0.9176 4.3361 1.0020 H 1 UNL1111111111 0.3204 49 H -3.5498 2.4663 0.7823 H 1 UNL1111111111 0.3312 50 H -2.8353 -4.1499 -0.4751 H 1 UNL1111111111 0.1703 51 H -3.6413 -3.8954 1.0741 H 1 UNL1111111111 0.1677 52 H -1.8861 -3.7364 0.9670 H 1 UNL1111111111 0.1684 53 H 3.1933 -0.7885 2.3646 H 1 UNL1111111111 0.3369 @BOND 1 1 14 1 2 1 17 1 3 2 15 1 4 2 25 1 5 3 13 1 6 3 43 1 7 4 14 1 8 4 44 1 9 5 19 1 10 5 48 1 11 6 21 1 12 6 49 1 13 7 22 1 14 7 53 1 15 8 25 2 16 9 26 2 17 10 11 1 18 10 13 1 19 10 15 1 20 10 17 1 21 11 12 1 22 11 14 1 23 11 30 1 24 12 16 1 25 12 21 1 26 12 23 1 27 13 20 1 28 13 22 1 29 14 19 1 30 15 18 1 31 15 31 1 32 16 18 1 33 16 24 1 34 16 32 1 35 17 33 1 36 17 34 1 37 18 35 1 38 18 36 1 39 19 20 1 40 19 37 1 41 20 28 2 42 21 26 1 43 21 38 1 44 22 25 1 45 22 39 1 46 23 40 1 47 23 41 1 48 23 42 1 49 24 27 2 50 24 29 1 51 26 27 1 52 27 45 1 53 28 46 1 54 28 47 1 55 29 50 1 56 29 51 1 57 29 52 1