@MOLECULE (1alpha,5beta,7alpha,8alpha,9beta,10alpha,13alpha,14r)-1,7,14-trihydroxy-14,20-epoxykaur-16-en-15-one 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6019 -0.1170 1.8998 O.3 1 UNL1111111111 -0.4403 2 O 1.1159 -2.0105 0.9760 O.3 1 UNL1111111111 -0.6390 3 O 1.0884 2.3914 1.2186 O.3 1 UNL1111111111 -0.5698 4 O -1.2960 -2.8303 0.1437 O.3 1 UNL1111111111 -0.6014 5 O 2.6989 1.5286 -1.8635 O.2 1 UNL1111111111 -0.4438 6 C -1.0068 -0.4856 -0.1315 C.3 1 UNL1111111111 -0.0426 7 C 1.1494 0.5001 -0.3041 C.3 1 UNL1111111111 -0.2807 8 C 0.2880 -0.4232 -1.0950 C.3 1 UNL1111111111 -0.1144 9 C -1.7587 0.8292 -0.5105 C.3 1 UNL1111111111 -0.1424 10 C 1.4411 -0.6367 0.9021 C.3 1 UNL1111111111 0.5496 11 C 0.5378 1.8852 0.0264 C.3 1 UNL1111111111 0.1732 12 C 2.9212 -0.9113 0.5281 C.3 1 UNL1111111111 -0.1299 13 C -0.9960 2.0092 0.0990 C.3 1 UNL1111111111 -0.3399 14 C 1.1950 -1.6534 -1.4588 C.3 1 UNL1111111111 -0.2767 15 C -3.2801 0.8966 -0.1857 C.3 1 UNL1111111111 0.1018 16 C -1.8516 -1.7081 -0.5348 C.3 1 UNL1111111111 0.1448 17 C -0.7432 -0.4437 1.4324 C.3 1 UNL1111111111 -0.0293 18 C 2.6397 -1.7584 -0.8100 C.3 1 UNL1111111111 -0.2403 19 C 2.5092 0.9041 -0.8565 C.2 1 UNL1111111111 0.4864 20 C -3.9626 -0.3877 -0.7056 C.3 1 UNL1111111111 -0.2963 21 C 3.5380 0.3599 0.0663 C.2 1 UNL1111111111 -0.1369 22 C -3.3194 -1.6325 -0.1062 C.3 1 UNL1111111111 -0.3227 23 C -3.6248 1.0890 1.2963 C.3 1 UNL1111111111 -0.4651 24 C -3.8788 2.0910 -0.9608 C.3 1 UNL1111111111 -0.4707 25 C 4.7040 0.9062 0.3858 C.2 1 UNL1111111111 -0.2290 26 H -0.0538 -0.0011 -2.0674 H 1 UNL1111111111 0.1463 27 H -1.7029 0.9250 -1.6295 H 1 UNL1111111111 0.1434 28 H 0.9037 2.6345 -0.7297 H 1 UNL1111111111 0.1537 29 H 3.4854 -1.4868 1.2734 H 1 UNL1111111111 0.1714 30 H -1.2981 2.9482 -0.4055 H 1 UNL1111111111 0.1502 31 H -1.2783 2.1686 1.1605 H 1 UNL1111111111 0.1654 32 H 1.3470 -1.6315 -2.5536 H 1 UNL1111111111 0.1368 33 H 0.6527 -2.5902 -1.2490 H 1 UNL1111111111 0.1487 34 H -1.7713 -1.8804 -1.6326 H 1 UNL1111111111 0.1194 35 H -1.3227 0.3522 1.9263 H 1 UNL1111111111 0.1523 36 H -1.0006 -1.4076 1.9094 H 1 UNL1111111111 0.1509 37 H 2.8147 -2.8190 -0.5630 H 1 UNL1111111111 0.1516 38 H 3.3892 -1.4761 -1.5658 H 1 UNL1111111111 0.1380 39 H -3.9110 -0.4238 -1.8101 H 1 UNL1111111111 0.1391 40 H -5.0416 -0.3628 -0.4632 H 1 UNL1111111111 0.1431 41 H -3.3920 -1.6282 0.9993 H 1 UNL1111111111 0.1617 42 H -3.8571 -2.5439 -0.4264 H 1 UNL1111111111 0.1424 43 H -3.1868 2.0078 1.7026 H 1 UNL1111111111 0.1516 44 H -4.7097 1.1685 1.4366 H 1 UNL1111111111 0.1471 45 H -3.2888 0.2508 1.9152 H 1 UNL1111111111 0.1480 46 H -4.9667 2.1324 -0.8450 H 1 UNL1111111111 0.1437 47 H -3.4804 3.0444 -0.5972 H 1 UNL1111111111 0.1521 48 H -3.6672 2.0317 -2.0328 H 1 UNL1111111111 0.1439 49 H 0.2379 -2.3361 0.7229 H 1 UNL1111111111 0.3664 50 H 1.0092 1.7117 1.9273 H 1 UNL1111111111 0.3410 51 H -1.4813 -3.6645 -0.3199 H 1 UNL1111111111 0.3347 52 H 5.3984 0.4682 1.0885 H 1 UNL1111111111 0.1513 53 H 5.0455 1.8451 -0.0336 H 1 UNL1111111111 0.1614 @BOND 1 1 10 1 2 1 17 1 3 2 10 1 4 2 49 1 5 3 11 1 6 3 50 1 7 4 16 1 8 4 51 1 9 5 19 2 10 6 8 1 11 6 9 1 12 6 16 1 13 6 17 1 14 7 8 1 15 7 10 1 16 7 11 1 17 7 19 1 18 8 14 1 19 8 26 1 20 9 13 1 21 9 15 1 22 9 27 1 23 10 12 1 24 11 13 1 25 11 28 1 26 12 18 1 27 12 21 1 28 12 29 1 29 13 30 1 30 13 31 1 31 14 18 1 32 14 32 1 33 14 33 1 34 15 20 1 35 15 23 1 36 15 24 1 37 16 22 1 38 16 34 1 39 17 35 1 40 17 36 1 41 18 37 1 42 18 38 1 43 19 21 1 44 20 22 1 45 20 39 1 46 20 40 1 47 21 25 2 48 22 41 1 49 22 42 1 50 23 43 1 51 23 44 1 52 23 45 1 53 24 46 1 54 24 47 1 55 24 48 1 56 25 52 1 57 25 53 1