@MOLECULE (7alpha,10xi)-7,14-dihydroxyabieta-8,13-diene-11,12-dione 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0289 2.8162 -0.5312 O.3 1 UNL1111111111 -0.5487 2 O 2.4702 2.0692 0.5306 O.2 1 UNL1111111111 -0.4888 3 O 0.6430 -2.7541 0.8425 O.2 1 UNL1111111111 -0.3441 4 O 2.7098 -2.3650 -1.0888 O.2 1 UNL1111111111 -0.3650 5 C -2.1368 0.5801 -0.1704 C.3 1 UNL1111111111 -0.1368 6 C -1.4910 -0.7135 0.4066 C.3 1 UNL1111111111 0.0910 7 C -3.6708 0.5248 -0.3867 C.3 1 UNL1111111111 0.1045 8 C -1.9050 -1.9096 -0.4768 C.3 1 UNL1111111111 -0.2934 9 C -1.6984 1.7882 0.6651 C.3 1 UNL1111111111 -0.3115 10 C -4.0181 -0.7430 -1.2010 C.3 1 UNL1111111111 -0.2979 11 C -3.4277 -2.0154 -0.5921 C.3 1 UNL1111111111 -0.2596 12 C 0.0078 -0.5157 0.3488 C.2 1 UNL1111111111 -0.0868 13 C -0.1785 1.9811 0.5960 C.3 1 UNL1111111111 0.1723 14 C -1.8130 -1.0068 1.8789 C.3 1 UNL1111111111 -0.4571 15 C 0.5892 0.6960 0.4106 C.2 1 UNL1111111111 -0.1138 16 C -4.4863 0.5652 0.9110 C.3 1 UNL1111111111 -0.4649 17 C -4.0925 1.7430 -1.2415 C.3 1 UNL1111111111 -0.4740 18 C 0.8911 -1.7109 0.3025 C.2 1 UNL1111111111 0.3338 19 C 2.0440 0.8155 0.2621 C.2 1 UNL1111111111 0.3264 20 C 2.8527 -0.1945 -0.1376 C.2 1 UNL1111111111 -0.3386 21 C 2.2387 -1.4997 -0.4006 C.2 1 UNL1111111111 0.3809 22 C 4.3264 -0.0818 -0.3704 C.3 1 UNL1111111111 -0.0343 23 C 4.6454 0.9703 -1.4421 C.3 1 UNL1111111111 -0.4527 24 C 5.0624 0.2211 0.9421 C.3 1 UNL1111111111 -0.4541 25 H -1.6933 0.7122 -1.1984 H 1 UNL1111111111 0.1585 26 H -1.5033 -2.8542 -0.0582 H 1 UNL1111111111 0.1585 27 H -1.4597 -1.8055 -1.4843 H 1 UNL1111111111 0.1436 28 H -2.0256 1.6851 1.7143 H 1 UNL1111111111 0.1472 29 H -2.1820 2.7129 0.2833 H 1 UNL1111111111 0.1685 30 H -3.6457 -0.6261 -2.2372 H 1 UNL1111111111 0.1412 31 H -5.1156 -0.8402 -1.2852 H 1 UNL1111111111 0.1354 32 H -3.6944 -2.8894 -1.2171 H 1 UNL1111111111 0.1341 33 H -3.8761 -2.2128 0.3991 H 1 UNL1111111111 0.1367 34 H 0.1961 2.5205 1.5014 H 1 UNL1111111111 0.1328 35 H -2.8816 -1.1959 2.0273 H 1 UNL1111111111 0.1525 36 H -1.2779 -1.9034 2.2234 H 1 UNL1111111111 0.1641 37 H -1.5285 -0.1788 2.5348 H 1 UNL1111111111 0.1453 38 H -5.5604 0.6106 0.6985 H 1 UNL1111111111 0.1433 39 H -4.3188 -0.3254 1.5260 H 1 UNL1111111111 0.1473 40 H -4.2368 1.4402 1.5187 H 1 UNL1111111111 0.1432 41 H -5.1400 1.6658 -1.5491 H 1 UNL1111111111 0.1443 42 H -3.9850 2.6814 -0.6883 H 1 UNL1111111111 0.1465 43 H -3.4856 1.8292 -2.1487 H 1 UNL1111111111 0.1489 44 H 0.9787 3.0409 -0.6113 H 1 UNL1111111111 0.3224 45 H 4.7058 -1.0728 -0.7537 H 1 UNL1111111111 0.1680 46 H 3.4618 2.1639 0.4346 H 1 UNL1111111111 0.3542 47 H 4.0936 0.7594 -2.3684 H 1 UNL1111111111 0.1602 48 H 5.7128 0.9612 -1.6930 H 1 UNL1111111111 0.1499 49 H 4.3926 1.9888 -1.1365 H 1 UNL1111111111 0.1285 50 H 6.1478 0.2348 0.7889 H 1 UNL1111111111 0.1494 51 H 4.8505 -0.5505 1.6942 H 1 UNL1111111111 0.1573 52 H 4.7807 1.1832 1.3786 H 1 UNL1111111111 0.1316 @BOND 1 1 13 1 2 1 44 1 3 2 19 1 4 2 46 1 5 3 18 2 6 4 21 2 7 5 6 1 8 5 7 1 9 5 9 1 10 5 25 1 11 6 8 1 12 6 12 1 13 6 14 1 14 7 10 1 15 7 16 1 16 7 17 1 17 8 11 1 18 8 26 1 19 8 27 1 20 9 13 1 21 9 28 1 22 9 29 1 23 10 11 1 24 10 30 1 25 10 31 1 26 11 32 1 27 11 33 1 28 12 15 2 29 12 18 1 30 13 15 1 31 13 34 1 32 14 35 1 33 14 36 1 34 14 37 1 35 15 19 1 36 16 38 1 37 16 39 1 38 16 40 1 39 17 41 1 40 17 42 1 41 17 43 1 42 18 21 1 43 19 20 2 44 20 21 1 45 20 22 1 46 22 23 1 47 22 24 1 48 22 45 1 49 23 47 1 50 23 48 1 51 23 49 1 52 24 50 1 53 24 51 1 54 24 52 1