@MOLECULE (5beta,10xi)-7-amino-11,12-dihydroxy-6,20-epoxyabieta-8(14),9(11),12-trien-20-one 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6660 -0.9230 -1.8388 O.3 1 UNL1111111111 -0.4124 2 O -1.6508 1.2063 -2.5093 O.2 1 UNL1111111111 -0.4281 3 O 0.7395 2.7457 0.3028 O.3 1 UNL1111111111 -0.4451 4 O 3.3565 2.3490 0.4813 O.3 1 UNL1111111111 -0.4952 5 N 0.2017 -3.1044 0.4996 N.3 1 UNL1111111111 -0.6459 6 C -1.8580 -0.6148 0.5100 C.3 1 UNL1111111111 -0.1930 7 C -1.1840 0.6417 -0.1257 C.3 1 UNL1111111111 -0.0176 8 C -3.3702 -0.5113 0.8086 C.3 1 UNL1111111111 0.1042 9 C -1.5217 -1.6326 -0.5999 C.3 1 UNL1111111111 0.0446 10 C -1.6825 1.9715 0.4161 C.3 1 UNL1111111111 -0.2648 11 C -3.6544 0.8424 1.4909 C.3 1 UNL1111111111 -0.2914 12 C 0.3126 0.4396 -0.0345 C.ar 1 UNL1111111111 -0.1174 13 C -0.0303 -2.0490 -0.5036 C.3 1 UNL1111111111 0.0111 14 C -3.1994 2.0070 0.6102 C.3 1 UNL1111111111 -0.2650 15 C -1.5153 0.4348 -1.6093 C.2 1 UNL1111111111 0.5813 16 C 0.8479 -0.8543 -0.1949 C.ar 1 UNL1111111111 -0.0294 17 C -4.2482 -0.6531 -0.4415 C.3 1 UNL1111111111 -0.4650 18 C -3.7409 -1.6441 1.7876 C.3 1 UNL1111111111 -0.4751 19 C 1.2150 1.4823 0.1749 C.ar 1 UNL1111111111 0.2183 20 C 2.2151 -1.0882 -0.1104 C.ar 1 UNL1111111111 -0.1571 21 C 3.1198 -0.0483 0.1240 C.ar 1 UNL1111111111 -0.0777 22 C 2.6024 1.2334 0.2564 C.ar 1 UNL1111111111 0.1097 23 C 4.5963 -0.3127 0.2237 C.3 1 UNL1111111111 -0.0542 24 C 5.1135 -0.9151 -1.0889 C.3 1 UNL1111111111 -0.4474 25 C 4.8809 -1.2487 1.4055 C.3 1 UNL1111111111 -0.4474 26 H -1.3391 -0.8583 1.4630 H 1 UNL1111111111 0.1589 27 H -2.2075 -2.4907 -0.6828 H 1 UNL1111111111 0.1477 28 H -1.3815 2.7920 -0.2750 H 1 UNL1111111111 0.1753 29 H -1.1836 2.1886 1.3845 H 1 UNL1111111111 0.1612 30 H -3.1388 0.8878 2.4692 H 1 UNL1111111111 0.1397 31 H -4.7333 0.9309 1.7138 H 1 UNL1111111111 0.1378 32 H 0.2758 -2.4663 -1.5076 H 1 UNL1111111111 0.1772 33 H -3.4922 2.9696 1.0710 H 1 UNL1111111111 0.1368 34 H -3.7140 1.9808 -0.3698 H 1 UNL1111111111 0.1477 35 H -4.1801 -1.6510 -0.8862 H 1 UNL1111111111 0.1473 36 H -3.9690 0.0617 -1.2261 H 1 UNL1111111111 0.1623 37 H -5.3030 -0.4754 -0.2048 H 1 UNL1111111111 0.1468 38 H -4.8102 -1.6191 2.0274 H 1 UNL1111111111 0.1520 39 H -3.1960 -1.5609 2.7328 H 1 UNL1111111111 0.1427 40 H -3.5289 -2.6289 1.3623 H 1 UNL1111111111 0.1403 41 H 2.5871 -2.1102 -0.2235 H 1 UNL1111111111 0.1792 42 H -0.4076 -3.8942 0.3718 H 1 UNL1111111111 0.2538 43 H 0.1196 -2.7628 1.4428 H 1 UNL1111111111 0.2553 44 H 5.1512 0.6464 0.4050 H 1 UNL1111111111 0.1165 45 H 1.4860 3.4010 0.3737 H 1 UNL1111111111 0.3427 46 H 4.3261 2.1514 0.4127 H 1 UNL1111111111 0.3387 47 H 4.6672 -1.8975 -1.2851 H 1 UNL1111111111 0.1553 48 H 6.1999 -1.0475 -1.0654 H 1 UNL1111111111 0.1434 49 H 4.8705 -0.2736 -1.9443 H 1 UNL1111111111 0.1518 50 H 4.5021 -0.8297 2.3450 H 1 UNL1111111111 0.1493 51 H 5.9547 -1.4248 1.5245 H 1 UNL1111111111 0.1440 52 H 4.3997 -2.2254 1.2710 H 1 UNL1111111111 0.1562 @BOND 1 1 9 1 2 1 15 1 3 2 15 2 4 3 19 1 5 3 45 1 6 4 22 1 7 4 46 1 8 5 13 1 9 5 42 1 10 5 43 1 11 6 7 1 12 6 8 1 13 6 9 1 14 6 26 1 15 7 10 1 16 7 12 1 17 7 15 1 18 8 11 1 19 8 17 1 20 8 18 1 21 9 13 1 22 9 27 1 23 10 14 1 24 10 28 1 25 10 29 1 26 11 14 1 27 11 30 1 28 11 31 1 29 12 16 ar 30 12 19 ar 31 13 16 1 32 13 32 1 33 14 33 1 34 14 34 1 35 16 20 ar 36 17 35 1 37 17 36 1 38 17 37 1 39 18 38 1 40 18 39 1 41 18 40 1 42 19 22 ar 43 20 21 ar 44 20 41 1 45 21 22 ar 46 21 23 1 47 23 24 1 48 23 25 1 49 23 44 1 50 24 47 1 51 24 48 1 52 24 49 1 53 25 50 1 54 25 51 1 55 25 52 1