@MOLECULE (5beta,8alpha,9beta,10alpha,13alpha)-16-hydroxy-18-oxokauran-17-yl acetate 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8557 -1.1724 1.3981 O.3 1 UNL1111111111 -0.5797 2 O -3.4901 1.6069 0.5351 O.3 1 UNL1111111111 -0.4017 3 O 4.1861 2.2044 0.6739 O.2 1 UNL1111111111 -0.4590 4 O -2.1958 2.4851 -1.0861 O.2 1 UNL1111111111 -0.5321 5 C -0.6294 -1.5229 0.4854 C.3 1 UNL1111111111 0.0738 6 C 0.0800 -1.1635 -0.8484 C.3 1 UNL1111111111 -0.1448 7 C 1.3034 -0.2002 -0.7065 C.3 1 UNL1111111111 0.0734 8 C 2.2477 -0.8247 0.3630 C.3 1 UNL1111111111 -0.1369 9 C -1.6005 -2.6960 0.1567 C.3 1 UNL1111111111 -0.3145 10 C -2.7290 -1.9492 -0.5783 C.3 1 UNL1111111111 -0.1596 11 C -1.5887 -0.4095 0.9761 C.3 1 UNL1111111111 -0.3526 12 C 0.3683 -1.9533 1.5625 C.3 1 UNL1111111111 -0.2995 13 C -2.9716 -0.7397 0.3756 C.3 1 UNL1111111111 0.2726 14 C -0.9531 -0.6523 -1.8724 C.3 1 UNL1111111111 -0.2875 15 C 1.5129 -0.9468 1.7065 C.3 1 UNL1111111111 -0.2795 16 C -2.1992 -1.5496 -1.9615 C.3 1 UNL1111111111 -0.2725 17 C 3.6140 -0.1112 0.4779 C.3 1 UNL1111111111 -0.0448 18 C 2.0541 -0.1932 -2.0636 C.3 1 UNL1111111111 -0.2969 19 C 0.8955 1.2357 -0.3698 C.3 1 UNL1111111111 -0.4775 20 C 4.2963 -0.0887 -0.9028 C.3 1 UNL1111111111 -0.2711 21 C 3.4001 0.5308 -1.9767 C.3 1 UNL1111111111 -0.2642 22 C -3.7375 0.4365 -0.2410 C.3 1 UNL1111111111 -0.0636 23 C 4.5394 -0.8582 1.4578 C.3 1 UNL1111111111 -0.4601 24 C 3.4895 1.2926 1.0457 C.2 1 UNL1111111111 0.3452 25 C -2.6880 2.5632 0.0118 C.2 1 UNL1111111111 0.6232 26 C -2.5330 3.6750 0.9922 C.3 1 UNL1111111111 -0.5103 27 H 0.4947 -2.1263 -1.2474 H 1 UNL1111111111 0.1331 28 H 2.4805 -1.8659 0.0119 H 1 UNL1111111111 0.1431 29 H -1.9586 -3.1971 1.0668 H 1 UNL1111111111 0.1302 30 H -1.1332 -3.4752 -0.4589 H 1 UNL1111111111 0.1439 31 H -3.6512 -2.5533 -0.6721 H 1 UNL1111111111 0.1469 32 H -1.6474 -0.3719 2.0756 H 1 UNL1111111111 0.1532 33 H -1.2419 0.5866 0.6669 H 1 UNL1111111111 0.1645 34 H 0.7803 -2.9502 1.3112 H 1 UNL1111111111 0.1401 35 H -0.1462 -2.0831 2.5326 H 1 UNL1111111111 0.1375 36 H -0.4864 -0.5776 -2.8719 H 1 UNL1111111111 0.1370 37 H -1.2614 0.3823 -1.6167 H 1 UNL1111111111 0.1649 38 H 1.1178 0.0306 2.0368 H 1 UNL1111111111 0.1404 39 H 2.2017 -1.2836 2.5024 H 1 UNL1111111111 0.1363 40 H -2.9846 -1.0385 -2.5483 H 1 UNL1111111111 0.1358 41 H -1.9566 -2.4676 -2.5314 H 1 UNL1111111111 0.1392 42 H 1.4244 0.2934 -2.8321 H 1 UNL1111111111 0.1430 43 H 2.2146 -1.2305 -2.4097 H 1 UNL1111111111 0.1331 44 H 0.1104 1.6002 -1.0493 H 1 UNL1111111111 0.1699 45 H 0.5168 1.3322 0.6511 H 1 UNL1111111111 0.1399 46 H 1.7310 1.9374 -0.4839 H 1 UNL1111111111 0.1559 47 H 4.5783 -1.1170 -1.1948 H 1 UNL1111111111 0.1351 48 H 5.2428 0.4861 -0.8365 H 1 UNL1111111111 0.1524 49 H 3.2499 1.6082 -1.7633 H 1 UNL1111111111 0.1511 50 H 3.9101 0.4948 -2.9579 H 1 UNL1111111111 0.1331 51 H -4.8329 0.2929 -0.1224 H 1 UNL1111111111 0.1663 52 H -3.4920 0.5993 -1.3045 H 1 UNL1111111111 0.1593 53 H 4.1840 -0.8047 2.4921 H 1 UNL1111111111 0.1457 54 H 4.6201 -1.9183 1.1929 H 1 UNL1111111111 0.1537 55 H 5.5536 -0.4385 1.4391 H 1 UNL1111111111 0.1567 56 H -3.4570 -1.8736 1.9441 H 1 UNL1111111111 0.3176 57 H 2.7600 1.4466 1.8504 H 1 UNL1111111111 0.1048 58 H -3.1018 3.5054 1.9201 H 1 UNL1111111111 0.1855 59 H -2.8783 4.6251 0.5555 H 1 UNL1111111111 0.1845 60 H -1.4734 3.8078 1.2634 H 1 UNL1111111111 0.1866 @BOND 1 1 13 1 2 1 56 1 3 2 22 1 4 2 25 1 5 3 24 2 6 4 25 2 7 5 6 1 8 5 9 1 9 5 11 1 10 5 12 1 11 6 7 1 12 6 14 1 13 6 27 1 14 7 8 1 15 7 18 1 16 7 19 1 17 8 15 1 18 8 17 1 19 8 28 1 20 9 10 1 21 9 29 1 22 9 30 1 23 10 13 1 24 10 16 1 25 10 31 1 26 11 13 1 27 11 32 1 28 11 33 1 29 12 15 1 30 12 34 1 31 12 35 1 32 13 22 1 33 14 16 1 34 14 36 1 35 14 37 1 36 15 38 1 37 15 39 1 38 16 40 1 39 16 41 1 40 17 20 1 41 17 23 1 42 17 24 1 43 18 21 1 44 18 42 1 45 18 43 1 46 19 44 1 47 19 45 1 48 19 46 1 49 20 21 1 50 20 47 1 51 20 48 1 52 21 49 1 53 21 50 1 54 22 51 1 55 22 52 1 56 23 53 1 57 23 54 1 58 23 55 1 59 24 57 1 60 25 26 1 61 26 58 1 62 26 59 1 63 26 60 1