@MOLECULE (1beta,11beta,12alpha,15beta)-1,11,12,13,15-pentahydroxypicras-3-ene-2,16-dione 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6674 2.2737 -0.6040 O.3 1 UNL1111111111 -0.4206 2 O 0.1917 -2.7188 1.1613 O.3 1 UNL1111111111 -0.5849 3 O -4.0846 -1.2478 0.0658 O.3 1 UNL1111111111 -0.5897 4 O -2.3304 -3.3396 -0.3751 O.3 1 UNL1111111111 -0.5753 5 O 2.1815 -2.4242 -0.6133 O.3 1 UNL1111111111 -0.5795 6 O -3.2330 2.5061 0.7440 O.3 1 UNL1111111111 -0.5487 7 O -2.0865 2.4300 -2.2660 O.2 1 UNL1111111111 -0.4480 8 O 4.6211 -1.5623 -1.0979 O.2 1 UNL1111111111 -0.4623 9 C -0.8884 0.3926 0.9486 C.3 1 UNL1111111111 0.0377 10 C 0.0260 -0.4977 0.0686 C.3 1 UNL1111111111 -0.1957 11 C 1.5537 -0.2689 0.2737 C.3 1 UNL1111111111 0.0765 12 C -2.3893 0.2616 0.5288 C.3 1 UNL1111111111 -0.2363 13 C -0.4716 1.8717 0.7601 C.3 1 UNL1111111111 0.1069 14 C 1.8356 1.2471 -0.0059 C.3 1 UNL1111111111 -0.1759 15 C -0.3854 -1.9885 0.0998 C.3 1 UNL1111111111 0.1090 16 C -2.7210 -1.0240 -0.2626 C.3 1 UNL1111111111 0.2998 17 C 1.0252 2.1219 0.9564 C.3 1 UNL1111111111 -0.2982 18 C -1.8945 -2.1864 0.3238 C.3 1 UNL1111111111 0.0520 19 C -0.7963 0.0675 2.4444 C.3 1 UNL1111111111 -0.4676 20 C 2.3325 -1.0383 -0.8350 C.3 1 UNL1111111111 0.0165 21 C -2.9498 1.4906 -0.2016 C.3 1 UNL1111111111 0.0450 22 C 2.1099 -0.6854 1.6375 C.3 1 UNL1111111111 -0.4720 23 C 3.3056 1.5593 -0.0028 C.2 1 UNL1111111111 0.1607 24 C -2.6071 -0.9340 -1.7805 C.3 1 UNL1111111111 -0.5066 25 C -1.9092 2.1153 -1.1207 C.2 1 UNL1111111111 0.5799 26 C 3.8275 -0.6942 -0.8102 C.2 1 UNL1111111111 0.4369 27 C 4.2086 0.6564 -0.4240 C.2 1 UNL1111111111 -0.3929 28 C 3.7388 2.9208 0.4091 C.3 1 UNL1111111111 -0.4738 29 H -0.1766 -0.1597 -0.9913 H 1 UNL1111111111 0.1576 30 H -2.9953 0.1824 1.4810 H 1 UNL1111111111 0.1890 31 H -1.0798 2.5472 1.4053 H 1 UNL1111111111 0.1558 32 H 1.4707 1.4800 -1.0523 H 1 UNL1111111111 0.1865 33 H -0.0789 -2.4763 -0.8611 H 1 UNL1111111111 0.1502 34 H 1.3091 1.9354 2.0081 H 1 UNL1111111111 0.1546 35 H 1.2261 3.1970 0.7662 H 1 UNL1111111111 0.1588 36 H -2.1268 -2.3388 1.4036 H 1 UNL1111111111 0.1515 37 H -1.5900 0.5546 3.0222 H 1 UNL1111111111 0.1473 38 H -0.8720 -1.0165 2.6183 H 1 UNL1111111111 0.1750 39 H 0.1526 0.3916 2.8844 H 1 UNL1111111111 0.1536 40 H 1.9136 -0.8360 -1.8487 H 1 UNL1111111111 0.1521 41 H -3.8795 1.2439 -0.7694 H 1 UNL1111111111 0.1683 42 H 2.4847 0.1652 2.2153 H 1 UNL1111111111 0.1451 43 H 1.3587 -1.1930 2.2590 H 1 UNL1111111111 0.1820 44 H 2.9463 -1.3914 1.5486 H 1 UNL1111111111 0.1565 45 H -3.4784 -0.4250 -2.2157 H 1 UNL1111111111 0.1699 46 H -1.7139 -0.3968 -2.1141 H 1 UNL1111111111 0.1593 47 H -2.5731 -1.9374 -2.2329 H 1 UNL1111111111 0.1803 48 H 1.1405 -2.8853 0.9410 H 1 UNL1111111111 0.3509 49 H 5.2760 0.8700 -0.4749 H 1 UNL1111111111 0.1872 50 H -4.3566 -2.1446 -0.2272 H 1 UNL1111111111 0.3450 51 H -1.8131 -4.1183 -0.0782 H 1 UNL1111111111 0.3361 52 H 3.2012 3.7052 -0.1479 H 1 UNL1111111111 0.1736 53 H 4.8122 3.0957 0.2396 H 1 UNL1111111111 0.1661 54 H 3.5586 3.0952 1.4812 H 1 UNL1111111111 0.1687 55 H 3.0179 -2.9034 -0.8421 H 1 UNL1111111111 0.3553 56 H -4.1238 2.3704 1.1306 H 1 UNL1111111111 0.3304 @BOND 1 1 13 1 2 1 25 1 3 2 15 1 4 2 48 1 5 3 16 1 6 3 50 1 7 4 18 1 8 4 51 1 9 5 20 1 10 5 55 1 11 6 21 1 12 6 56 1 13 7 25 2 14 8 26 2 15 9 10 1 16 9 12 1 17 9 13 1 18 9 19 1 19 10 11 1 20 10 15 1 21 10 29 1 22 11 14 1 23 11 20 1 24 11 22 1 25 12 16 1 26 12 21 1 27 12 30 1 28 13 17 1 29 13 31 1 30 14 17 1 31 14 23 1 32 14 32 1 33 15 18 1 34 15 33 1 35 16 18 1 36 16 24 1 37 17 34 1 38 17 35 1 39 18 36 1 40 19 37 1 41 19 38 1 42 19 39 1 43 20 26 1 44 20 40 1 45 21 25 1 46 21 41 1 47 22 42 1 48 22 43 1 49 22 44 1 50 23 27 2 51 23 28 1 52 24 45 1 53 24 46 1 54 24 47 1 55 26 27 1 56 27 49 1 57 28 52 1 58 28 53 1 59 28 54 1