@MOLECULE (1alpha,4aalpha,4bbeta,10beta)-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0731 3.0775 -0.2320 O.3 1 UNL1111111111 -0.5579 2 O 0.7225 -3.4703 -0.6063 O.3 1 UNL1111111111 -0.5528 3 O -0.8133 1.4891 -1.5872 O.2 1 UNL1111111111 -0.5247 4 O -0.1722 -3.1236 1.3998 O.2 1 UNL1111111111 -0.5322 5 O -2.1179 -0.7246 -2.1261 O.3 1 UNL1111111111 -0.5618 6 O -3.4640 0.9330 -1.4832 O.2 1 UNL1111111111 -0.5188 7 C 1.3971 -0.5077 0.0520 C.3 1 UNL1111111111 0.0649 8 C 1.0621 0.6155 1.0897 C.3 1 UNL1111111111 -0.1378 9 C -0.4082 0.9704 0.7830 C.3 1 UNL1111111111 -0.0472 10 C -0.9931 -0.4704 0.6459 C.3 1 UNL1111111111 -0.1138 11 C 0.0608 -1.2604 -0.1615 C.3 1 UNL1111111111 -0.2381 12 C 2.6169 -1.2491 0.6432 C.3 1 UNL1111111111 -0.3074 13 C 1.9723 0.0130 -1.2940 C.3 1 UNL1111111111 -0.3122 14 C 3.7186 -0.1821 0.3928 C.3 1 UNL1111111111 -0.1165 15 C -2.4628 -0.5103 0.2147 C.3 1 UNL1111111111 -0.0032 16 C 2.1325 1.7007 1.0951 C.3 1 UNL1111111111 -0.2691 17 C -1.1936 1.6911 1.8813 C.3 1 UNL1111111111 -0.2754 18 C 3.5081 1.0347 1.3237 C.3 1 UNL1111111111 -0.2695 19 C 3.4325 0.2516 -1.0265 C.2 1 UNL1111111111 0.0633 20 C -3.2613 0.3292 1.2461 C.3 1 UNL1111111111 -0.2757 21 C -2.6767 1.7285 1.4806 C.3 1 UNL1111111111 -0.2734 22 C -0.4802 1.8026 -0.4730 C.2 1 UNL1111111111 0.6458 23 C 0.1605 -2.6690 0.3349 C.2 1 UNL1111111111 0.6500 24 C -2.9796 -1.9554 0.2303 C.3 1 UNL1111111111 -0.4598 25 C -2.7314 0.0295 -1.1768 C.2 1 UNL1111111111 0.6488 26 C 4.3132 0.7545 -1.8856 C.2 1 UNL1111111111 -0.4027 27 H 1.0700 0.1536 2.1136 H 1 UNL1111111111 0.1546 28 H -0.9896 -0.9014 1.6941 H 1 UNL1111111111 0.1796 29 H -0.2116 -1.2625 -1.2531 H 1 UNL1111111111 0.2222 30 H 2.8368 -2.1822 0.0998 H 1 UNL1111111111 0.1543 31 H 2.5078 -1.5187 1.7019 H 1 UNL1111111111 0.1463 32 H 1.4649 0.9167 -1.6648 H 1 UNL1111111111 0.1649 33 H 1.8427 -0.7483 -2.0891 H 1 UNL1111111111 0.1681 34 H 4.7335 -0.5996 0.5231 H 1 UNL1111111111 0.1407 35 H 1.9288 2.4480 1.8822 H 1 UNL1111111111 0.1413 36 H 2.1407 2.2705 0.1468 H 1 UNL1111111111 0.1575 37 H -0.8077 2.7186 2.0312 H 1 UNL1111111111 0.1609 38 H -1.0666 1.1795 2.8532 H 1 UNL1111111111 0.1476 39 H 4.3074 1.7739 1.1479 H 1 UNL1111111111 0.1398 40 H 3.6040 0.7138 2.3761 H 1 UNL1111111111 0.1368 41 H -3.3043 -0.2225 2.2049 H 1 UNL1111111111 0.1455 42 H -4.3115 0.4278 0.9039 H 1 UNL1111111111 0.1571 43 H -3.2622 2.2471 2.2621 H 1 UNL1111111111 0.1406 44 H -2.8093 2.3409 0.5632 H 1 UNL1111111111 0.1610 45 H -4.0616 -2.0021 0.0621 H 1 UNL1111111111 0.1549 46 H -2.5024 -2.5616 -0.5531 H 1 UNL1111111111 0.1685 47 H -2.7710 -2.4489 1.1891 H 1 UNL1111111111 0.1656 48 H 5.3543 0.9027 -1.6552 H 1 UNL1111111111 0.1496 49 H 4.0614 1.0582 -2.8879 H 1 UNL1111111111 0.1531 50 H -0.1274 3.6585 -1.0295 H 1 UNL1111111111 0.3547 51 H 0.8089 -4.4124 -0.3230 H 1 UNL1111111111 0.3512 52 H -2.1486 -0.3055 -3.0233 H 1 UNL1111111111 0.3607 @BOND 1 1 22 1 2 1 50 1 3 2 23 1 4 2 51 1 5 3 22 2 6 4 23 2 7 5 25 1 8 5 52 1 9 6 25 2 10 7 8 1 11 7 11 1 12 7 12 1 13 7 13 1 14 8 9 1 15 8 16 1 16 8 27 1 17 9 10 1 18 9 17 1 19 9 22 1 20 10 11 1 21 10 15 1 22 10 28 1 23 11 23 1 24 11 29 1 25 12 14 1 26 12 30 1 27 12 31 1 28 13 19 1 29 13 32 1 30 13 33 1 31 14 18 1 32 14 19 1 33 14 34 1 34 15 20 1 35 15 24 1 36 15 25 1 37 16 18 1 38 16 35 1 39 16 36 1 40 17 21 1 41 17 37 1 42 17 38 1 43 18 39 1 44 18 40 1 45 19 26 2 46 20 21 1 47 20 41 1 48 20 42 1 49 21 43 1 50 21 44 1 51 24 45 1 52 24 46 1 53 24 47 1 54 26 48 1 55 26 49 1