@MOLECULE (1alpha,5beta,7alpha,8alpha,9beta,12alpha,13alpha,14r)-1,7,12,14-tetrahydroxykaur-16-en-15-one 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7864 3.1264 -0.1382 O.3 1 UNL1111111111 -0.5854 2 O 2.8783 1.9894 -1.4014 O.3 1 UNL1111111111 -0.5767 3 O -1.2176 -3.0483 0.0962 O.3 1 UNL1111111111 -0.5757 4 O 3.3938 -2.6517 -0.3385 O.3 1 UNL1111111111 -0.5501 5 O 1.2601 1.3001 1.9707 O.2 1 UNL1111111111 -0.4717 6 C -1.1495 -0.6718 0.0670 C.3 1 UNL1111111111 0.0425 7 C 0.2361 -0.5822 -0.6597 C.3 1 UNL1111111111 -0.1039 8 C 0.9830 0.7460 -0.3868 C.3 1 UNL1111111111 -0.2187 9 C -1.9570 0.5794 -0.4003 C.3 1 UNL1111111111 -0.1432 10 C 0.1006 1.9780 -0.6048 C.3 1 UNL1111111111 0.1667 11 C 2.2293 0.7536 -1.3333 C.3 1 UNL1111111111 0.1612 12 C -3.4713 0.5847 -0.0581 C.3 1 UNL1111111111 0.1056 13 C -1.2535 1.8500 0.0907 C.3 1 UNL1111111111 -0.3429 14 C 1.1402 -1.7918 -0.3589 C.3 1 UNL1111111111 -0.3568 15 C -1.8972 -1.9316 -0.4598 C.3 1 UNL1111111111 0.1419 16 C 3.1615 -0.2587 -0.6077 C.3 1 UNL1111111111 -0.2262 17 C 2.5747 -1.6573 -0.9026 C.3 1 UNL1111111111 0.1593 18 C 1.6682 0.7516 0.9815 C.2 1 UNL1111111111 0.4924 19 C -4.1026 -0.7330 -0.5660 C.3 1 UNL1111111111 -0.2938 20 C -0.9943 -0.7890 1.5794 C.3 1 UNL1111111111 -0.4560 21 C -3.3728 -1.9672 -0.0455 C.3 1 UNL1111111111 -0.3383 22 C 2.9873 0.0695 0.8456 C.2 1 UNL1111111111 -0.1107 23 C -4.1517 1.7346 -0.8368 C.3 1 UNL1111111111 -0.4723 24 C -3.7733 0.7878 1.4293 C.3 1 UNL1111111111 -0.4625 25 C 3.8280 -0.1601 1.8492 C.2 1 UNL1111111111 -0.2467 26 H 0.0157 -0.6001 -1.7607 H 1 UNL1111111111 0.1388 27 H -1.9129 0.5771 -1.5239 H 1 UNL1111111111 0.1352 28 H -0.0131 2.2044 -1.6924 H 1 UNL1111111111 0.1485 29 H 2.0030 0.4803 -2.3805 H 1 UNL1111111111 0.1364 30 H -1.8593 2.7529 -0.1138 H 1 UNL1111111111 0.1582 31 H -1.1202 1.8281 1.1920 H 1 UNL1111111111 0.1709 32 H 1.1736 -1.9869 0.7313 H 1 UNL1111111111 0.1634 33 H 0.6886 -2.7158 -0.7806 H 1 UNL1111111111 0.1838 34 H -1.7936 -2.0224 -1.5645 H 1 UNL1111111111 0.1149 35 H 4.2106 -0.1762 -0.9522 H 1 UNL1111111111 0.1827 36 H 2.6351 -1.8960 -1.9882 H 1 UNL1111111111 0.1432 37 H -4.1063 -0.7403 -1.6729 H 1 UNL1111111111 0.1380 38 H -5.1667 -0.7721 -0.2654 H 1 UNL1111111111 0.1423 39 H -0.6681 0.1473 2.0457 H 1 UNL1111111111 0.1642 40 H -1.9336 -1.0772 2.0656 H 1 UNL1111111111 0.1483 41 H -0.2692 -1.5693 1.8490 H 1 UNL1111111111 0.1601 42 H -3.4569 -2.0313 1.0570 H 1 UNL1111111111 0.1573 43 H -3.8544 -2.8838 -0.4348 H 1 UNL1111111111 0.1362 44 H -5.2411 1.6853 -0.7388 H 1 UNL1111111111 0.1448 45 H -3.8423 2.7153 -0.4601 H 1 UNL1111111111 0.1504 46 H -3.9155 1.7009 -1.9043 H 1 UNL1111111111 0.1426 47 H -4.8497 0.8949 1.6034 H 1 UNL1111111111 0.1433 48 H -3.4313 -0.0553 2.0388 H 1 UNL1111111111 0.1514 49 H -3.2873 1.6886 1.8206 H 1 UNL1111111111 0.1509 50 H 0.8407 3.1301 0.8457 H 1 UNL1111111111 0.3454 51 H 2.3717 2.6899 -0.9250 H 1 UNL1111111111 0.3580 52 H -1.8028 -3.8217 0.1737 H 1 UNL1111111111 0.3153 53 H 3.4308 -2.5698 0.6364 H 1 UNL1111111111 0.3166 54 H 4.7933 -0.6315 1.7266 H 1 UNL1111111111 0.1559 55 H 3.6115 0.1251 2.8729 H 1 UNL1111111111 0.1649 @BOND 1 1 10 1 2 1 50 1 3 2 11 1 4 2 51 1 5 3 15 1 6 3 52 1 7 4 17 1 8 4 53 1 9 5 18 2 10 6 7 1 11 6 9 1 12 6 15 1 13 6 20 1 14 7 8 1 15 7 14 1 16 7 26 1 17 8 10 1 18 8 11 1 19 8 18 1 20 9 12 1 21 9 13 1 22 9 27 1 23 10 13 1 24 10 28 1 25 11 16 1 26 11 29 1 27 12 19 1 28 12 23 1 29 12 24 1 30 13 30 1 31 13 31 1 32 14 17 1 33 14 32 1 34 14 33 1 35 15 21 1 36 15 34 1 37 16 17 1 38 16 22 1 39 16 35 1 40 17 36 1 41 18 22 1 42 19 21 1 43 19 37 1 44 19 38 1 45 20 39 1 46 20 40 1 47 20 41 1 48 21 42 1 49 21 43 1 50 22 25 2 51 23 44 1 52 23 45 1 53 23 46 1 54 24 47 1 55 24 48 1 56 24 49 1 57 25 54 1 58 25 55 1