@MOLECULE (1beta,11beta,12alpha,15beta)-1,11,12,14,15-pentahydroxy-13,20-epoxypicras-3-ene-2,16-dione 55 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2103 -1.4257 1.8097 O.3 1 UNL1111111111 -0.3996 2 O -0.5650 2.4412 -0.1758 O.3 1 UNL1111111111 -0.4688 3 O -3.0185 1.0944 1.0966 O.3 1 UNL1111111111 -0.5757 4 O 0.1583 -2.8391 0.5256 O.3 1 UNL1111111111 -0.5603 5 O -2.1713 -1.8805 -1.8242 O.3 1 UNL1111111111 -0.5715 6 O -3.6784 1.1283 -1.4789 O.3 1 UNL1111111111 -0.4897 7 O 2.3561 -2.3478 -0.9477 O.3 1 UNL1111111111 -0.5766 8 O -1.8809 3.2539 -1.6986 O.2 1 UNL1111111111 -0.4056 9 O 4.8377 -1.4664 -1.0199 O.2 1 UNL1111111111 -0.4580 10 C -0.7742 0.2173 0.8108 C.3 1 UNL1111111111 -0.1175 11 C 0.1611 -0.4868 -0.1884 C.3 1 UNL1111111111 -0.1807 12 C -2.2404 0.2666 0.2560 C.3 1 UNL1111111111 0.1773 13 C 1.6673 -0.3297 0.1788 C.3 1 UNL1111111111 0.0694 14 C -2.6353 -1.2117 0.4606 C.3 1 UNL1111111111 0.1706 15 C -0.3707 1.6738 1.0165 C.3 1 UNL1111111111 0.1466 16 C -0.2945 -1.9400 -0.4597 C.3 1 UNL1111111111 0.1345 17 C -1.0212 -0.6521 2.0616 C.3 1 UNL1111111111 -0.0583 18 C 1.9520 1.2108 0.1802 C.3 1 UNL1111111111 -0.1710 19 C -1.8317 -2.1401 -0.4753 C.3 1 UNL1111111111 0.0756 20 C 1.1243 1.8765 1.2874 C.3 1 UNL1111111111 -0.2987 21 C -2.3445 0.9526 -1.0986 C.3 1 UNL1111111111 0.0228 22 C 2.5321 -0.9472 -0.9533 C.3 1 UNL1111111111 0.0215 23 C 2.1107 -0.9395 1.5074 C.3 1 UNL1111111111 -0.4585 24 C -4.1242 -1.4855 0.4270 C.3 1 UNL1111111111 -0.4745 25 C 3.4166 1.5417 0.2418 C.2 1 UNL1111111111 0.1610 26 C -1.6353 2.3024 -1.0128 C.2 1 UNL1111111111 0.5552 27 C 4.0150 -0.6199 -0.7520 C.2 1 UNL1111111111 0.4327 28 C 4.3502 0.6999 -0.2359 C.2 1 UNL1111111111 -0.3994 29 C 3.8075 2.8730 0.7792 C.3 1 UNL1111111111 -0.4772 30 H 0.0437 0.0434 -1.1771 H 1 UNL1111111111 0.1540 31 H -0.9991 2.1700 1.7945 H 1 UNL1111111111 0.1484 32 H 0.1073 -2.2716 -1.4546 H 1 UNL1111111111 0.1575 33 H -0.2333 -1.4033 2.2547 H 1 UNL1111111111 0.1776 34 H -1.2357 -0.0733 2.9709 H 1 UNL1111111111 0.1262 35 H 1.5906 1.6322 -0.8058 H 1 UNL1111111111 0.1845 36 H -2.0597 -3.2072 -0.2413 H 1 UNL1111111111 0.1574 37 H 1.3902 1.4845 2.2850 H 1 UNL1111111111 0.1553 38 H 1.3251 2.9684 1.3198 H 1 UNL1111111111 0.1644 39 H -1.9200 0.3369 -1.9373 H 1 UNL1111111111 0.2084 40 H 2.2005 -0.6015 -1.9612 H 1 UNL1111111111 0.1554 41 H 2.0438 -2.0366 1.5045 H 1 UNL1111111111 0.1697 42 H 3.1573 -0.6938 1.7329 H 1 UNL1111111111 0.1519 43 H 1.5153 -0.5869 2.3549 H 1 UNL1111111111 0.1509 44 H -4.3439 -2.5610 0.4324 H 1 UNL1111111111 0.1627 45 H -4.6310 -1.0658 1.3082 H 1 UNL1111111111 0.1667 46 H -4.5929 -1.0327 -0.4592 H 1 UNL1111111111 0.1731 47 H -3.2766 0.6211 1.9210 H 1 UNL1111111111 0.3474 48 H 1.1037 -3.0510 0.3294 H 1 UNL1111111111 0.3418 49 H -3.1414 -1.8666 -1.9546 H 1 UNL1111111111 0.3319 50 H 5.4130 0.9417 -0.2386 H 1 UNL1111111111 0.1881 51 H -4.1659 1.6388 -0.7842 H 1 UNL1111111111 0.3335 52 H 3.2228 -2.8054 -1.0875 H 1 UNL1111111111 0.3551 53 H 4.8649 3.1154 0.5922 H 1 UNL1111111111 0.1674 54 H 3.6635 2.9227 1.8703 H 1 UNL1111111111 0.1704 55 H 3.2146 3.6874 0.3324 H 1 UNL1111111111 0.1747 @BOND 1 1 14 1 2 1 17 1 3 2 15 1 4 2 26 1 5 3 12 1 6 3 47 1 7 4 16 1 8 4 48 1 9 5 19 1 10 5 49 1 11 6 21 1 12 6 51 1 13 7 22 1 14 7 52 1 15 8 26 2 16 9 27 2 17 10 11 1 18 10 12 1 19 10 15 1 20 10 17 1 21 11 13 1 22 11 16 1 23 11 30 1 24 12 14 1 25 12 21 1 26 13 18 1 27 13 22 1 28 13 23 1 29 14 19 1 30 14 24 1 31 15 20 1 32 15 31 1 33 16 19 1 34 16 32 1 35 17 33 1 36 17 34 1 37 18 20 1 38 18 25 1 39 18 35 1 40 19 36 1 41 20 37 1 42 20 38 1 43 21 26 1 44 21 39 1 45 22 27 1 46 22 40 1 47 23 41 1 48 23 42 1 49 23 43 1 50 24 44 1 51 24 45 1 52 24 46 1 53 25 28 2 54 25 29 1 55 27 28 1 56 28 50 1 57 29 53 1 58 29 54 1 59 29 55 1