@MOLECULE (3beta,5beta,8alpha,9beta,10alpha,12alpha,14alpha)-8,14-dihydroxy-12,16-epoxy-3,18-cycloabiet-13(15)-en-16-one 52 56 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.5953 1.1078 1.2284 O.3 1 UNL111111111 -0.5456 2 O 3.1514 -1.9948 -0.2536 O.3 1 UNL111111111 -0.4013 3 O 2.0937 2.6221 -0.4421 O.3 1 UNL111111111 -0.5594 4 O 5.1645 -1.7170 0.6831 O.2 1 UNL111111111 -0.4240 5 C -4.0075 0.2987 0.0608 C.3 1 UNL111111111 0.0208 6 C -2.5664 0.5663 -0.3556 C.3 1 UNL111111111 -0.1308 7 C -4.4885 -1.1488 0.1485 C.3 1 UNL111111111 -0.1688 8 C -1.6267 -0.5987 0.0781 C.3 1 UNL111111111 0.0969 9 C -4.9264 -0.2809 -1.0088 C.3 1 UNL111111111 -0.3742 10 C -0.2059 -0.3195 -0.4984 C.3 1 UNL111111111 -0.1661 11 C -3.5371 -2.3023 -0.0506 C.3 1 UNL111111111 -0.2577 12 C -2.1673 -1.8847 -0.5993 C.3 1 UNL111111111 -0.2988 13 C -2.0267 1.9137 0.1458 C.3 1 UNL111111111 -0.2649 14 C 0.3214 1.0951 -0.1497 C.3 1 UNL111111111 0.2962 15 C -4.6213 1.2596 1.0482 C.3 1 UNL111111111 -0.4437 16 C -0.6721 2.2051 -0.5018 C.3 1 UNL111111111 -0.3357 17 C -1.5948 -0.7728 1.5962 C.3 1 UNL111111111 -0.4605 18 C 0.8226 -1.3659 -0.0370 C.3 1 UNL111111111 -0.3033 19 C 1.6775 1.3560 -0.9129 C.3 1 UNL111111111 0.0700 20 C 2.1248 -1.1507 -0.8021 C.3 1 UNL111111111 0.0978 21 C 2.6223 0.2680 -0.5816 C.2 1 UNL111111111 -0.0942 22 C 3.8298 0.2309 0.0020 C.2 1 UNL111111111 -0.1131 23 C 4.1936 -1.2053 0.2111 C.2 1 UNL111111111 0.5762 24 C 4.7382 1.2951 0.4508 C.3 1 UNL111111111 -0.4335 25 H -2.5491 0.6058 -1.4768 H 1 UNL111111111 0.1368 26 H -5.2447 -1.3772 0.9106 H 1 UNL111111111 0.1497 27 H -4.5386 -0.4755 -2.0022 H 1 UNL111111111 0.1546 28 H -5.9541 0.0536 -1.0750 H 1 UNL111111111 0.1548 29 H -0.2937 -0.3674 -1.6135 H 1 UNL111111111 0.1378 30 H -3.9978 -3.0481 -0.7294 H 1 UNL111111111 0.1389 31 H -3.3949 -2.8264 0.9179 H 1 UNL111111111 0.1437 32 H -1.4552 -2.7191 -0.4566 H 1 UNL111111111 0.1403 33 H -2.2370 -1.7274 -1.6911 H 1 UNL111111111 0.1329 34 H -1.9205 1.9011 1.2485 H 1 UNL111111111 0.1573 35 H -2.7362 2.7269 -0.0933 H 1 UNL111111111 0.1372 36 H -5.6322 0.9549 1.3476 H 1 UNL111111111 0.1471 37 H -4.0199 1.3210 1.9653 H 1 UNL111111111 0.1553 38 H -4.7068 2.2699 0.6287 H 1 UNL111111111 0.1501 39 H -0.7784 2.3034 -1.5968 H 1 UNL111111111 0.1452 40 H -0.2815 3.1820 -0.1512 H 1 UNL111111111 0.1624 41 H -2.6067 -0.7844 2.0169 H 1 UNL111111111 0.1498 42 H -1.1052 -1.7071 1.8877 H 1 UNL111111111 0.1447 43 H -1.0523 0.0465 2.0877 H 1 UNL111111111 0.1731 44 H 0.4543 -2.3971 -0.1852 H 1 UNL111111111 0.1600 45 H 1.0026 -1.2668 1.0570 H 1 UNL111111111 0.1878 46 H 1.5092 1.4428 -2.0113 H 1 UNL111111111 0.1391 47 H 2.0589 -1.4380 -1.8719 H 1 UNL111111111 0.1521 48 H 1.0874 1.9263 1.4628 H 1 UNL111111111 0.3311 49 H 3.0240 2.7981 -0.6928 H 1 UNL111111111 0.3276 50 H 5.5632 0.8959 1.0708 H 1 UNL111111111 0.1818 51 H 4.2197 2.0474 1.0686 H 1 UNL111111111 0.1680 52 H 5.2138 1.8173 -0.3940 H 1 UNL111111111 0.1588 @BOND 1 46 19 1 2 27 9 1 3 47 20 1 4 33 12 1 5 29 10 1 6 39 16 1 7 25 6 1 8 28 9 1 9 9 5 1 10 9 7 1 11 19 21 1 12 19 3 1 13 19 14 1 14 20 21 1 15 20 2 1 16 20 18 1 17 30 11 1 18 49 3 1 19 12 32 1 20 12 11 1 21 12 8 1 22 21 22 2 23 16 40 1 24 16 14 1 25 16 13 1 26 10 14 1 27 10 18 1 28 10 8 1 29 52 24 1 30 6 5 1 31 6 8 1 32 6 13 1 33 2 23 1 34 44 18 1 35 14 1 1 36 35 13 1 37 11 7 1 38 11 31 1 39 18 45 1 40 22 23 1 41 22 24 1 42 5 7 1 43 5 15 1 44 8 17 1 45 13 34 1 46 7 26 1 47 23 4 2 48 24 51 1 49 24 50 1 50 38 15 1 51 15 36 1 52 15 37 1 53 1 48 1 54 17 42 1 55 17 41 1 56 17 43 1