@MOLECULE (5beta,9beta)-abieta-7,13-dien-19-oic acid 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4877 -0.6073 2.0073 O.3 1 UNL1111111111 -0.5715 2 O 4.4863 -1.3716 0.1791 O.2 1 UNL1111111111 -0.5306 3 C 0.7142 -0.5278 -0.1608 C.3 1 UNL1111111111 0.0755 4 C 1.5317 0.6605 0.4227 C.3 1 UNL1111111111 -0.1217 5 C -0.7798 -0.3721 0.2608 C.3 1 UNL1111111111 -0.1379 6 C 3.0280 0.6025 0.0127 C.3 1 UNL1111111111 0.0083 7 C 0.8804 -0.5579 -1.6901 C.3 1 UNL1111111111 -0.2902 8 C 3.1883 0.4928 -1.5147 C.3 1 UNL1111111111 -0.2773 9 C 0.9521 2.0203 -0.0220 C.3 1 UNL1111111111 -0.2757 10 C 2.3521 -0.6423 -2.1101 C.3 1 UNL1111111111 -0.2661 11 C -1.3227 1.0225 0.1408 C.2 1 UNL1111111111 0.0038 12 C 1.1892 -1.8612 0.4511 C.3 1 UNL1111111111 -0.4848 13 C -1.7113 -1.3255 -0.5139 C.3 1 UNL1111111111 -0.2677 14 C -0.5306 2.0974 0.0405 C.2 1 UNL1111111111 -0.2052 15 C 3.8042 1.8316 0.5222 C.3 1 UNL1111111111 -0.4614 16 C -3.1182 -1.2828 0.0983 C.3 1 UNL1111111111 -0.2868 17 C 3.7329 -0.5697 0.6674 C.2 1 UNL1111111111 0.6358 18 C -2.7742 1.1685 0.1996 C.2 1 UNL1111111111 -0.2434 19 C -3.6194 0.1245 0.1798 C.2 1 UNL1111111111 0.0297 20 C -5.1093 0.3328 0.2434 C.3 1 UNL1111111111 -0.0869 21 C -5.7406 0.0028 -1.1164 C.3 1 UNL1111111111 -0.4451 22 C -5.7364 -0.5157 1.3567 C.3 1 UNL1111111111 -0.4477 23 H 1.4656 0.6058 1.5377 H 1 UNL1111111111 0.1569 24 H -0.8371 -0.6387 1.3521 H 1 UNL1111111111 0.1539 25 H 0.4100 0.3446 -2.1248 H 1 UNL1111111111 0.1471 26 H 0.3353 -1.4209 -2.1160 H 1 UNL1111111111 0.1378 27 H 4.2567 0.3367 -1.7688 H 1 UNL1111111111 0.1515 28 H 2.9026 1.4531 -1.9857 H 1 UNL1111111111 0.1430 29 H 1.2699 2.2471 -1.0640 H 1 UNL1111111111 0.1526 30 H 1.3865 2.8236 0.6107 H 1 UNL1111111111 0.1449 31 H 2.4255 -0.6191 -3.2140 H 1 UNL1111111111 0.1342 32 H 2.7826 -1.6189 -1.8076 H 1 UNL1111111111 0.1515 33 H 1.3478 -1.7727 1.5317 H 1 UNL1111111111 0.1535 34 H 0.4573 -2.6611 0.2923 H 1 UNL1111111111 0.1487 35 H 2.1210 -2.2196 0.0003 H 1 UNL1111111111 0.1581 36 H -1.3212 -2.3578 -0.5007 H 1 UNL1111111111 0.1379 37 H -1.7630 -1.0214 -1.5769 H 1 UNL1111111111 0.1457 38 H -0.9381 3.1039 -0.0197 H 1 UNL1111111111 0.1441 39 H 3.6323 1.9921 1.5950 H 1 UNL1111111111 0.1645 40 H 4.8854 1.7152 0.3746 H 1 UNL1111111111 0.1537 41 H 3.5102 2.7455 -0.0046 H 1 UNL1111111111 0.1555 42 H -3.1057 -1.7271 1.1165 H 1 UNL1111111111 0.1526 43 H -3.8044 -1.9163 -0.4968 H 1 UNL1111111111 0.1470 44 H -3.1433 2.1919 0.2589 H 1 UNL1111111111 0.1505 45 H -5.3228 1.4100 0.4715 H 1 UNL1111111111 0.1392 46 H 3.9642 -1.3357 2.4725 H 1 UNL1111111111 0.3502 47 H -5.6390 -1.0585 -1.3657 H 1 UNL1111111111 0.1445 48 H -5.2641 0.5763 -1.9202 H 1 UNL1111111111 0.1487 49 H -6.8090 0.2421 -1.1229 H 1 UNL1111111111 0.1434 50 H -5.2469 -0.3266 2.3190 H 1 UNL1111111111 0.1472 51 H -5.6562 -1.5873 1.1478 H 1 UNL1111111111 0.1447 52 H -6.8007 -0.2845 1.4743 H 1 UNL1111111111 0.1439 @BOND 1 1 17 1 2 1 46 1 3 2 17 2 4 3 4 1 5 3 5 1 6 3 7 1 7 3 12 1 8 4 6 1 9 4 9 1 10 4 23 1 11 5 11 1 12 5 13 1 13 5 24 1 14 6 8 1 15 6 15 1 16 6 17 1 17 7 10 1 18 7 25 1 19 7 26 1 20 8 10 1 21 8 27 1 22 8 28 1 23 9 14 1 24 9 29 1 25 9 30 1 26 10 31 1 27 10 32 1 28 11 14 2 29 11 18 1 30 12 33 1 31 12 34 1 32 12 35 1 33 13 16 1 34 13 36 1 35 13 37 1 36 14 38 1 37 15 39 1 38 15 40 1 39 15 41 1 40 16 19 1 41 16 42 1 42 16 43 1 43 18 19 2 44 18 44 1 45 19 20 1 46 20 21 1 47 20 22 1 48 20 45 1 49 21 47 1 50 21 48 1 51 21 49 1 52 22 50 1 53 22 51 1 54 22 52 1