@MOLECULE (5xi)-12-methoxyabieta-8(14),9(11),12-trien-20-oic acid 54 56 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.3562 -1.1714 2.0664 O.3 1 UNL11111111 -0.5546 2 O 1.4039 -2.6696 0.4294 O.2 1 UNL11111111 -0.5356 3 O -3.5617 -1.4018 -0.2475 O.3 1 UNL11111111 -0.3097 4 C 2.2123 0.8246 0.3554 C.3 1 UNL11111111 -0.1224 5 C 1.2470 -0.2831 -0.1391 C.3 1 UNL11111111 -0.0183 6 C 3.7066 0.4869 0.0856 C.3 1 UNL11111111 0.0992 7 C 1.5366 -0.6827 -1.6021 C.3 1 UNL11111111 -0.2650 8 C 3.9222 0.1040 -1.3914 C.3 1 UNL11111111 -0.2938 9 C 1.7836 2.1550 -0.2861 C.3 1 UNL11111111 -0.2762 10 C 3.0054 -1.0408 -1.8266 C.3 1 UNL11111111 -0.2673 11 C -0.2102 0.1347 -0.0651 C.ar 1 UNL11111111 0.0085 12 C 0.4064 2.5624 0.2454 C.3 1 UNL11111111 -0.2692 13 C 4.1700 -0.6577 1.0052 C.3 1 UNL11111111 -0.4748 14 C 4.5963 1.7037 0.4136 C.3 1 UNL11111111 -0.4689 15 C -0.5938 1.4611 0.0995 C.ar 1 UNL11111111 -0.0351 16 C 1.3625 -1.5088 0.7501 C.2 1 UNL11111111 0.6404 17 C -1.1907 -0.8576 -0.1977 C.ar 1 UNL11111111 -0.3096 18 C -1.9560 1.7909 0.1516 C.ar 1 UNL11111111 -0.1550 19 C -2.9451 0.8249 0.0386 C.ar 1 UNL11111111 -0.0811 20 C -2.5350 -0.5139 -0.1388 C.ar 1 UNL11111111 0.2257 21 C -4.3929 1.2254 0.1085 C.3 1 UNL11111111 -0.0511 22 C -5.0781 0.5537 1.3061 C.3 1 UNL11111111 -0.4490 23 C -5.1112 0.8792 -1.2026 C.3 1 UNL11111111 -0.4496 24 C -3.2201 -2.7738 -0.3858 C.3 1 UNL11111111 -0.2094 25 H 2.0869 0.9273 1.4649 H 1 UNL11111111 0.1625 26 H 1.2417 0.1530 -2.2671 H 1 UNL11111111 0.1507 27 H 0.8958 -1.5409 -1.8904 H 1 UNL11111111 0.1546 28 H 4.9790 -0.1796 -1.5506 H 1 UNL11111111 0.1363 29 H 3.7467 0.9877 -2.0329 H 1 UNL11111111 0.1372 30 H 1.7620 2.0641 -1.3876 H 1 UNL11111111 0.1456 31 H 2.5100 2.9565 -0.0620 H 1 UNL11111111 0.1395 32 H 3.2555 -1.9709 -1.2772 H 1 UNL11111111 0.1523 33 H 3.1752 -1.2762 -2.8943 H 1 UNL11111111 0.1349 34 H 0.0615 3.4769 -0.2786 H 1 UNL11111111 0.1447 35 H 0.4845 2.8428 1.3188 H 1 UNL11111111 0.1532 36 H 3.8669 -0.4834 2.0433 H 1 UNL11111111 0.1524 37 H 3.7679 -1.6290 0.6980 H 1 UNL11111111 0.1535 38 H 5.2603 -0.7603 0.9923 H 1 UNL11111111 0.1449 39 H 4.3950 2.0799 1.4220 H 1 UNL11111111 0.1476 40 H 5.6580 1.4372 0.3696 H 1 UNL11111111 0.1446 41 H 4.4493 2.5270 -0.2916 H 1 UNL11111111 0.1417 42 H -0.8907 -1.8931 -0.3495 H 1 UNL11111111 0.1782 43 H -2.2396 2.8348 0.2866 H 1 UNL11111111 0.1533 44 H 1.3728 -1.9535 2.6704 H 1 UNL11111111 0.3496 45 H -4.4607 2.3357 0.2534 H 1 UNL11111111 0.1323 46 H -5.1204 -0.5361 1.1859 H 1 UNL11111111 0.1593 47 H -6.1050 0.9118 1.4256 H 1 UNL11111111 0.1403 48 H -4.5361 0.7573 2.2360 H 1 UNL11111111 0.1451 49 H -4.5970 1.3200 -2.0631 H 1 UNL11111111 0.1438 50 H -6.1416 1.2474 -1.1972 H 1 UNL11111111 0.1407 51 H -5.1497 -0.2050 -1.3661 H 1 UNL11111111 0.1592 52 H -2.6559 -3.1295 0.4825 H 1 UNL11111111 0.1387 53 H -2.6723 -2.9493 -1.3171 H 1 UNL11111111 0.1367 54 H -4.2065 -3.2540 -0.4246 H 1 UNL11111111 0.1482 @BOND 1 33 10 1 2 26 7 1 3 49 23 1 4 29 8 1 5 27 7 1 6 10 7 1 7 10 8 1 8 10 32 1 9 7 5 1 10 28 8 1 11 8 6 1 12 30 9 1 13 51 23 1 14 53 24 1 15 23 50 1 16 23 21 1 17 54 24 1 18 24 3 1 19 24 52 1 20 42 17 1 21 41 14 1 22 9 31 1 23 9 12 1 24 9 4 1 25 34 12 1 26 3 20 1 27 17 20 ar 28 17 11 ar 29 5 11 1 30 5 4 1 31 5 16 1 32 20 19 ar 33 11 15 ar 34 19 21 1 35 19 18 ar 36 6 4 1 37 6 14 1 38 6 13 1 39 15 18 ar 40 15 12 1 41 21 45 1 42 21 22 1 43 18 43 1 44 12 35 1 45 4 25 1 46 40 14 1 47 14 39 1 48 2 16 2 49 37 13 1 50 16 1 1 51 38 13 1 52 13 36 1 53 46 22 1 54 22 47 1 55 22 48 1 56 1 44 1