@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 0.7659 2.9547 0.8658 O.3 1 UNL1111111111 -0.5590 2 O 2.1950 1.0593 2.0010 O.3 1 UNL1111111111 -0.5933 3 O -0.8568 -1.4792 1.4710 O.3 1 UNL1111111111 -0.6069 4 O 1.4155 -2.8186 0.9107 O.3 1 UNL1111111111 -0.5899 5 O 2.5588 1.8013 -1.7243 O.2 1 UNL1111111111 -0.4215 6 C -1.1772 -0.5640 -0.7955 C.3 1 UNL1111111111 0.0085 7 C 0.3579 -0.3112 -1.0229 C.3 1 UNL1111111111 -0.1138 8 C 1.0973 0.7036 -0.1039 C.3 1 UNL1111111111 -0.1755 9 C -1.9190 0.7676 -0.4673 C.3 1 UNL1111111111 -0.1399 10 C 0.2307 1.9533 0.0436 C.3 1 UNL1111111111 0.1706 11 C 1.6242 0.0466 1.1922 C.3 1 UNL1111111111 0.1590 12 C -3.4222 0.6043 -0.0746 C.3 1 UNL1111111111 0.1033 13 C -1.1486 1.5625 0.5949 C.3 1 UNL1111111111 -0.3397 14 C 1.1707 -1.6187 -1.1929 C.3 1 UNL1111111111 -0.3592 15 C -1.4956 -1.6778 0.2265 C.3 1 UNL1111111111 0.1549 16 C 2.7698 -0.8500 0.6554 C.3 1 UNL1111111111 -0.2351 17 C 2.0992 -2.0536 -0.0417 C.3 1 UNL1111111111 0.1807 18 C 2.4203 0.9964 -0.8488 C.2 1 UNL1111111111 0.4659 19 C -3.6154 -0.5205 0.9580 C.3 1 UNL1111111111 -0.2888 20 C -1.6709 -1.0896 -2.1697 C.3 1 UNL1111111111 -0.4726 21 C -2.9953 -1.8405 0.5084 C.3 1 UNL1111111111 -0.3270 22 C 3.4473 0.0334 -0.3507 C.2 1 UNL1111111111 -0.1097 23 C -3.9741 1.9084 0.5450 C.3 1 UNL1111111111 -0.4717 24 C -4.2932 0.3415 -1.3187 C.3 1 UNL1111111111 -0.4698 25 C 4.7171 0.0099 -0.7406 C.2 1 UNL1111111111 -0.2438 26 H 0.3834 0.1978 -2.0364 H 1 UNL1111111111 0.1557 27 H -1.9095 1.3835 -1.4053 H 1 UNL1111111111 0.1464 28 H 0.1412 2.4830 -0.9402 H 1 UNL1111111111 0.1553 29 H 0.8754 -0.4856 1.7986 H 1 UNL1111111111 0.1457 30 H -1.6695 2.5075 0.8588 H 1 UNL1111111111 0.1721 31 H -1.0565 1.0111 1.5449 H 1 UNL1111111111 0.1313 32 H 0.4942 -2.4701 -1.4087 H 1 UNL1111111111 0.1626 33 H 1.7954 -1.5158 -2.1042 H 1 UNL1111111111 0.1520 34 H -1.0540 -2.6536 -0.0973 H 1 UNL1111111111 0.1441 35 H 3.4419 -1.1989 1.4620 H 1 UNL1111111111 0.1682 36 H 2.8687 -2.7712 -0.4132 H 1 UNL1111111111 0.1397 37 H -4.6959 -0.6629 1.1533 H 1 UNL1111111111 0.1407 38 H -3.1838 -0.2152 1.9309 H 1 UNL1111111111 0.1383 39 H -1.6790 -0.2937 -2.9228 H 1 UNL1111111111 0.1536 40 H -1.0406 -1.8978 -2.5553 H 1 UNL1111111111 0.1480 41 H -2.6886 -1.4904 -2.1184 H 1 UNL1111111111 0.1517 42 H -3.1256 -2.6052 1.3022 H 1 UNL1111111111 0.1550 43 H -3.5179 -2.2429 -0.3766 H 1 UNL1111111111 0.1446 44 H -3.7760 2.7703 -0.1014 H 1 UNL1111111111 0.1523 45 H -5.0594 1.8498 0.6832 H 1 UNL1111111111 0.1448 46 H -3.5469 2.1165 1.5312 H 1 UNL1111111111 0.1480 47 H -4.0766 1.0582 -2.1172 H 1 UNL1111111111 0.1464 48 H -4.1538 -0.6646 -1.7238 H 1 UNL1111111111 0.1444 49 H -5.3594 0.4314 -1.0813 H 1 UNL1111111111 0.1442 50 H 1.3231 2.5670 1.5740 H 1 UNL1111111111 0.3449 51 H 2.5424 0.6928 2.8348 H 1 UNL1111111111 0.3371 52 H -1.0918 -0.6017 1.8537 H 1 UNL1111111111 0.3383 53 H 0.6116 -2.3606 1.2391 H 1 UNL1111111111 0.3551 54 H 5.4490 -0.6910 -0.3674 H 1 UNL1111111111 0.1499 55 H 5.1177 0.7066 -1.4687 H 1 UNL1111111111 0.1641 @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