@MOLECULE (5beta)-abieta-8(14),9(11),12-trien-18-oic acid 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.5923 -2.0408 -1.0443 O.3 1 UNL1111111111 -0.5648 2 O 4.3654 -1.6436 1.0005 O.2 1 UNL1111111111 -0.5228 3 C 1.4931 -0.2088 -0.3851 C.3 1 UNL1111111111 -0.1227 4 C 0.5795 1.0485 -0.2777 C.3 1 UNL1111111111 0.0860 5 C 2.9980 0.0709 -0.1217 C.3 1 UNL1111111111 0.0164 6 C 0.9059 1.8617 0.9966 C.3 1 UNL1111111111 -0.2866 7 C 0.9736 -1.2951 0.5754 C.3 1 UNL1111111111 -0.2810 8 C 3.2131 0.8872 1.1627 C.3 1 UNL1111111111 -0.2814 9 C 2.3946 2.1775 1.1382 C.3 1 UNL1111111111 -0.2557 10 C -0.8952 0.6773 -0.1809 C.ar 1 UNL1111111111 -0.0574 11 C -0.3914 -1.7800 0.0846 C.3 1 UNL1111111111 -0.2795 12 C 0.7463 1.9086 -1.5445 C.3 1 UNL1111111111 -0.4650 13 C -1.3460 -0.6351 -0.0215 C.ar 1 UNL1111111111 0.0138 14 C 3.7086 0.7262 -1.3144 C.3 1 UNL1111111111 -0.4557 15 C 3.7206 -1.2578 0.0612 C.2 1 UNL1111111111 0.6169 16 C -1.8476 1.7027 -0.2273 C.ar 1 UNL1111111111 -0.1533 17 C -2.7138 -0.9109 0.0498 C.ar 1 UNL1111111111 -0.2054 18 C -3.6533 0.1148 -0.0148 C.ar 1 UNL1111111111 0.0101 19 C -3.2083 1.4317 -0.1467 C.ar 1 UNL1111111111 -0.1951 20 C -5.1293 -0.1766 0.0628 C.3 1 UNL1111111111 -0.0776 21 C -5.4670 -0.8428 1.4032 C.3 1 UNL1111111111 -0.4454 22 C -5.5542 -1.0683 -1.1115 C.3 1 UNL1111111111 -0.4454 23 H 1.4081 -0.6030 -1.4302 H 1 UNL1111111111 0.1568 24 H 0.5588 1.2948 1.8837 H 1 UNL1111111111 0.1472 25 H 0.3228 2.8013 0.9995 H 1 UNL1111111111 0.1376 26 H 0.8957 -0.8961 1.6046 H 1 UNL1111111111 0.1509 27 H 1.6604 -2.1589 0.6374 H 1 UNL1111111111 0.1432 28 H 4.2889 1.1125 1.2959 H 1 UNL1111111111 0.1473 29 H 2.9331 0.2785 2.0471 H 1 UNL1111111111 0.1571 30 H 2.7299 2.8362 0.3159 H 1 UNL1111111111 0.1364 31 H 2.5695 2.7514 2.0687 H 1 UNL1111111111 0.1349 32 H -0.7819 -2.5615 0.7683 H 1 UNL1111111111 0.1507 33 H -0.2909 -2.2739 -0.9062 H 1 UNL1111111111 0.1569 34 H 0.1179 2.8046 -1.5180 H 1 UNL1111111111 0.1454 35 H 1.7756 2.2560 -1.6715 H 1 UNL1111111111 0.1497 36 H 0.4674 1.3425 -2.4405 H 1 UNL1111111111 0.1505 37 H 3.4736 0.2092 -2.2545 H 1 UNL1111111111 0.1635 38 H 3.4214 1.7786 -1.4297 H 1 UNL1111111111 0.1581 39 H 4.7990 0.7094 -1.1943 H 1 UNL1111111111 0.1505 40 H -1.5260 2.7393 -0.3255 H 1 UNL1111111111 0.1488 41 H -3.0478 -1.9404 0.1619 H 1 UNL1111111111 0.1538 42 H -3.9236 2.2494 -0.1867 H 1 UNL1111111111 0.1504 43 H 4.0674 -2.9032 -0.9740 H 1 UNL1111111111 0.3499 44 H -5.7040 0.7827 -0.0031 H 1 UNL1111111111 0.1371 45 H -4.9837 -1.8207 1.5024 H 1 UNL1111111111 0.1468 46 H -6.5460 -0.9944 1.5087 H 1 UNL1111111111 0.1430 47 H -5.1310 -0.2257 2.2445 H 1 UNL1111111111 0.1477 48 H -5.2830 -0.6114 -2.0702 H 1 UNL1111111111 0.1475 49 H -6.6366 -1.2317 -1.1126 H 1 UNL1111111111 0.1429 50 H -5.0709 -2.0504 -1.0695 H 1 UNL1111111111 0.1468 @BOND 1 1 15 1 2 1 43 1 3 2 15 2 4 3 4 1 5 3 5 1 6 3 7 1 7 3 23 1 8 4 6 1 9 4 10 1 10 4 12 1 11 5 8 1 12 5 14 1 13 5 15 1 14 6 9 1 15 6 24 1 16 6 25 1 17 7 11 1 18 7 26 1 19 7 27 1 20 8 9 1 21 8 28 1 22 8 29 1 23 9 30 1 24 9 31 1 25 10 13 ar 26 10 16 ar 27 11 13 1 28 11 32 1 29 11 33 1 30 12 34 1 31 12 35 1 32 12 36 1 33 13 17 ar 34 14 37 1 35 14 38 1 36 14 39 1 37 16 19 ar 38 16 40 1 39 17 18 ar 40 17 41 1 41 18 19 ar 42 18 20 1 43 19 42 1 44 20 21 1 45 20 22 1 46 20 44 1 47 21 45 1 48 21 46 1 49 21 47 1 50 22 48 1 51 22 49 1 52 22 50 1