@MOLECULE (5beta,6beta,7beta,8alpha,9beta,10alpha,11alpha,13alpha)-6,7-dihydroxy-15-oxo-7,20-epoxykaur-16-en-11-yl acetate 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6079 -0.1751 2.0857 O.3 1 UNL111111111 -0.4693 2 O 0.3009 -2.4133 2.0343 O.3 1 UNL111111111 -0.5311 3 O 2.1035 -2.5654 -0.1883 O.3 1 UNL111111111 -0.5695 4 O -1.7958 1.7955 0.2908 O.3 1 UNL111111111 -0.4471 5 O -0.3724 -3.1387 -1.0559 O.2 1 UNL111111111 -0.4526 6 O -2.9834 3.2935 -0.8938 O.2 1 UNL111111111 -0.5153 7 C 0.8098 0.8022 -0.1621 C.3 1 UNL111111111 0.0137 8 C -0.4704 0.0400 -0.6366 C.3 1 UNL111111111 -0.1711 9 C -0.7063 -1.1466 0.3311 C.3 1 UNL111111111 -0.1250 10 C 1.9990 -0.1605 -0.4632 C.3 1 UNL111111111 -0.1994 11 C 0.5270 -1.3073 1.2243 C.3 1 UNL111111111 0.4252 12 C 1.9025 -1.3698 0.4983 C.3 1 UNL111111111 0.0759 13 C 3.4161 0.4731 -0.4656 C.3 1 UNL111111111 0.1186 14 C -1.9850 -0.9215 1.1678 C.3 1 UNL111111111 -0.2647 15 C -1.7377 0.9031 -0.8290 C.3 1 UNL111111111 0.1408 16 C 0.7151 1.0428 1.3560 C.3 1 UNL111111111 -0.0366 17 C 0.9398 2.1259 -0.9221 C.3 1 UNL111111111 -0.2853 18 C -3.0765 -1.1041 0.0886 C.3 1 UNL111111111 -0.1016 19 C -3.0544 0.1059 -0.8660 C.3 1 UNL111111111 -0.3265 20 C -1.1117 -2.3517 -0.5237 C.2 1 UNL111111111 0.4780 21 C 3.3917 1.7783 -1.2918 C.3 1 UNL111111111 -0.2944 22 C 2.3296 2.7497 -0.7761 C.3 1 UNL111111111 -0.2612 23 C -2.5947 -2.3305 -0.6494 C.2 1 UNL111111111 -0.1325 24 C 3.9873 0.7635 0.9299 C.3 1 UNL111111111 -0.4673 25 C 4.3678 -0.5185 -1.1674 C.3 1 UNL111111111 -0.4752 26 C -3.3182 -3.2495 -1.2796 C.2 1 UNL111111111 -0.2278 27 C -2.4560 2.9698 0.1385 C.2 1 UNL111111111 0.6260 28 C -2.3949 3.7375 1.4146 C.3 1 UNL111111111 -0.5148 29 H -0.2459 -0.3705 -1.6593 H 1 UNL111111111 0.1575 30 H 1.8500 -0.5535 -1.5049 H 1 UNL111111111 0.1624 31 H 2.7197 -1.3792 1.2558 H 1 UNL111111111 0.1573 32 H -2.0080 0.0604 1.6635 H 1 UNL111111111 0.1737 33 H -2.0678 -1.6691 1.9769 H 1 UNL111111111 0.1644 34 H -1.6403 1.5193 -1.7557 H 1 UNL111111111 0.1415 35 H 1.6210 1.5311 1.7598 H 1 UNL111111111 0.1343 36 H -0.1736 1.6292 1.6452 H 1 UNL111111111 0.1448 37 H 0.1734 2.8440 -0.5728 H 1 UNL111111111 0.1419 38 H 0.7310 1.9603 -1.9985 H 1 UNL111111111 0.1456 39 H -4.0811 -1.2398 0.5308 H 1 UNL111111111 0.1480 40 H -3.2576 -0.2238 -1.9033 H 1 UNL111111111 0.1571 41 H -3.8873 0.7940 -0.6161 H 1 UNL111111111 0.1624 42 H 3.1988 1.5443 -2.3558 H 1 UNL111111111 0.1397 43 H 4.3890 2.2531 -1.2689 H 1 UNL111111111 0.1338 44 H 2.3762 3.6999 -1.3407 H 1 UNL111111111 0.1316 45 H 2.5292 3.0205 0.2764 H 1 UNL111111111 0.1364 46 H 4.3250 -1.5095 -0.6926 H 1 UNL111111111 0.1714 47 H 5.4043 -0.1748 -1.1307 H 1 UNL111111111 0.1392 48 H 4.1013 -0.6655 -2.2185 H 1 UNL111111111 0.1440 49 H 4.1956 -0.1582 1.4852 H 1 UNL111111111 0.1498 50 H 3.3062 1.3673 1.5388 H 1 UNL111111111 0.1457 51 H 4.9332 1.3114 0.8591 H 1 UNL111111111 0.1437 52 H 0.9676 -2.4681 2.7555 H 1 UNL111111111 0.3385 53 H 1.2693 -2.8996 -0.5964 H 1 UNL111111111 0.3539 54 H -4.3957 -3.2211 -1.3513 H 1 UNL111111111 0.1489 55 H -2.8744 -4.1081 -1.7724 H 1 UNL111111111 0.1645 56 H -2.8282 3.1653 2.2505 H 1 UNL111111111 0.1876 57 H -2.9480 4.6860 1.3282 H 1 UNL111111111 0.1856 58 H -1.3567 3.9752 1.6939 H 1 UNL111111111 0.1853 @BOND 1 1 11 1 2 1 16 1 3 2 11 1 4 2 52 1 5 3 12 1 6 3 53 1 7 4 15 1 8 4 27 1 9 5 20 2 10 6 27 2 11 7 8 1 12 7 10 1 13 7 16 1 14 7 17 1 15 8 9 1 16 8 15 1 17 8 29 1 18 9 11 1 19 9 14 1 20 9 20 1 21 10 12 1 22 10 13 1 23 10 30 1 24 11 12 1 25 12 31 1 26 13 21 1 27 13 24 1 28 13 25 1 29 14 18 1 30 14 32 1 31 14 33 1 32 15 19 1 33 15 34 1 34 16 35 1 35 16 36 1 36 17 22 1 37 17 37 1 38 17 38 1 39 18 19 1 40 18 23 1 41 18 39 1 42 19 40 1 43 19 41 1 44 20 23 1 45 21 22 1 46 21 42 1 47 21 43 1 48 22 44 1 49 22 45 1 50 23 26 2 51 24 49 1 52 24 50 1 53 24 51 1 54 25 46 1 55 25 47 1 56 25 48 1 57 26 54 1 58 26 55 1 59 27 28 1 60 28 56 1 61 28 57 1 62 28 58 1