@MOLECULE (1beta,11beta,12alpha)-1,11,12,14-tetrahydroxy-13,20-epoxypicras-3-ene-2,16-dione 54 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5745 -1.0479 1.7204 O.3 1 UNL1111111111 -0.4105 2 O -0.4884 2.5348 -0.3700 O.3 1 UNL1111111111 -0.4522 3 O -3.1129 1.4741 0.8612 O.3 1 UNL1111111111 -0.5658 4 O -0.2367 -2.7612 0.5540 O.3 1 UNL1111111111 -0.5642 5 O -2.5772 -1.7446 -1.8161 O.3 1 UNL1111111111 -0.5766 6 O 2.0280 -2.4777 -0.8576 O.3 1 UNL1111111111 -0.5795 7 O -1.3141 3.0736 -2.2898 O.2 1 UNL1111111111 -0.4638 8 O 4.5768 -1.8249 -0.7870 O.2 1 UNL1111111111 -0.4607 9 C -0.9457 0.3942 0.7135 C.3 1 UNL1111111111 -0.1286 10 C -0.0342 -0.4301 -0.2135 C.3 1 UNL1111111111 -0.1776 11 C -2.3782 0.5523 0.0815 C.3 1 UNL1111111111 0.2551 12 C 1.4656 -0.3825 0.2118 C.3 1 UNL1111111111 0.0651 13 C -2.9152 -0.8758 0.3392 C.3 1 UNL1111111111 0.1999 14 C -0.4308 1.8186 0.8691 C.3 1 UNL1111111111 0.1442 15 C -0.6062 -1.8464 -0.4529 C.3 1 UNL1111111111 0.1104 16 C -1.3215 -0.3894 1.9854 C.3 1 UNL1111111111 -0.0587 17 C 1.8806 1.1282 0.1803 C.3 1 UNL1111111111 -0.1738 18 C -2.1537 -1.9415 -0.4777 C.3 1 UNL1111111111 0.0735 19 C 1.0596 1.9029 1.2196 C.3 1 UNL1111111111 -0.3014 20 C -2.3652 1.1703 -1.2917 C.3 1 UNL1111111111 -0.4114 21 C 2.3279 -1.0986 -0.8645 C.3 1 UNL1111111111 0.0187 22 C 1.7989 -0.9812 1.5769 C.3 1 UNL1111111111 -0.4581 23 C -4.4151 -1.0400 0.2337 C.3 1 UNL1111111111 -0.4652 24 C 3.3633 1.3359 0.3096 C.2 1 UNL1111111111 0.1665 25 C -1.3974 2.3136 -1.3584 C.2 1 UNL1111111111 0.6267 26 C 3.8220 -0.8993 -0.5893 C.2 1 UNL1111111111 0.4371 27 C 4.2440 0.4022 -0.0925 C.2 1 UNL1111111111 -0.4008 28 C 3.8401 2.6467 0.8266 C.3 1 UNL1111111111 -0.4762 29 H -0.0659 0.0699 -1.2242 H 1 UNL1111111111 0.1546 30 H -1.0576 2.4114 1.5770 H 1 UNL1111111111 0.1523 31 H -0.2104 -2.2277 -1.4299 H 1 UNL1111111111 0.1381 32 H -0.6216 -1.2084 2.2351 H 1 UNL1111111111 0.1739 33 H -1.5044 0.2438 2.8645 H 1 UNL1111111111 0.1275 34 H 1.6067 1.5435 -0.8370 H 1 UNL1111111111 0.1860 35 H -2.4570 -2.9565 -0.1244 H 1 UNL1111111111 0.1556 36 H 1.2359 1.5232 2.2412 H 1 UNL1111111111 0.1551 37 H 1.3538 2.9733 1.2295 H 1 UNL1111111111 0.1634 38 H -3.3877 1.5422 -1.5537 H 1 UNL1111111111 0.2106 39 H -2.1400 0.4203 -2.0868 H 1 UNL1111111111 0.2165 40 H 2.0800 -0.7422 -1.8920 H 1 UNL1111111111 0.1542 41 H 1.1887 -0.5595 2.3819 H 1 UNL1111111111 0.1529 42 H 1.6515 -2.0697 1.6032 H 1 UNL1111111111 0.1677 43 H 2.8479 -0.8036 1.8499 H 1 UNL1111111111 0.1527 44 H -4.7212 -1.1688 -0.8157 H 1 UNL1111111111 0.1755 45 H -4.7573 -1.9206 0.7949 H 1 UNL1111111111 0.1640 46 H -4.9574 -0.1718 0.6307 H 1 UNL1111111111 0.1627 47 H -3.4134 1.0685 1.7064 H 1 UNL1111111111 0.3375 48 H 0.7093 -3.0093 0.4053 H 1 UNL1111111111 0.3430 49 H -2.4216 -2.5461 -2.3524 H 1 UNL1111111111 0.3274 50 H 5.3223 0.5522 -0.0438 H 1 UNL1111111111 0.1879 51 H 2.8611 -3.0127 -0.9101 H 1 UNL1111111111 0.3563 52 H 3.3448 3.4917 0.3206 H 1 UNL1111111111 0.1758 53 H 4.9228 2.7906 0.6910 H 1 UNL1111111111 0.1664 54 H 3.6428 2.7487 1.9054 H 1 UNL1111111111 0.1702 @BOND 1 1 13 1 2 1 16 1 3 2 14 1 4 2 25 1 5 3 11 1 6 3 47 1 7 4 15 1 8 4 48 1 9 5 18 1 10 5 49 1 11 6 21 1 12 6 51 1 13 7 25 2 14 8 26 2 15 9 10 1 16 9 11 1 17 9 14 1 18 9 16 1 19 10 12 1 20 10 15 1 21 10 29 1 22 11 13 1 23 11 20 1 24 12 17 1 25 12 21 1 26 12 22 1 27 13 18 1 28 13 23 1 29 14 19 1 30 14 30 1 31 15 18 1 32 15 31 1 33 16 32 1 34 16 33 1 35 17 19 1 36 17 24 1 37 17 34 1 38 18 35 1 39 19 36 1 40 19 37 1 41 20 25 1 42 20 38 1 43 20 39 1 44 21 26 1 45 21 40 1 46 22 41 1 47 22 42 1 48 22 43 1 49 23 44 1 50 23 45 1 51 23 46 1 52 24 27 2 53 24 28 1 54 26 27 1 55 27 50 1 56 28 52 1 57 28 53 1 58 28 54 1