@MOLECULE (-)-pinellic acid 57 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7759 -1.3833 2.3188 O.3 1 UNL1111111111 -0.5616 2 O 3.5694 -2.5435 0.4189 O.3 1 UNL1111111111 -0.5525 3 O 5.4312 1.9243 -0.2243 O.3 1 UNL1111111111 -0.5605 4 O -5.9144 1.5548 1.6368 O.3 1 UNL1111111111 -0.5732 5 O -5.3424 0.2266 -0.0558 O.2 1 UNL1111111111 -0.5081 6 C 2.0268 1.7200 -1.6834 C.3 1 UNL1111111111 -0.2676 7 C 1.0585 2.1456 -0.5724 C.3 1 UNL1111111111 -0.2751 8 C 1.4542 -2.1297 1.3324 C.3 1 UNL1111111111 0.1507 9 C 3.4556 2.1991 -1.4239 C.3 1 UNL1111111111 -0.3001 10 C 0.8707 -1.9080 -0.0611 C.3 1 UNL1111111111 -0.3384 11 C -0.3668 1.6918 -0.9054 C.3 1 UNL1111111111 -0.2774 12 C -0.6259 -2.2305 -0.0738 C.3 1 UNL1111111111 -0.2669 13 C 2.9592 -1.7369 1.4090 C.3 1 UNL1111111111 0.0854 14 C 4.0326 1.6859 -0.0944 C.3 1 UNL1111111111 0.1494 15 C -1.2943 1.8547 0.3044 C.3 1 UNL1111111111 -0.2666 16 C -1.2010 -2.1178 -1.4903 C.3 1 UNL1111111111 -0.2730 17 C -2.7040 1.3675 -0.0445 C.3 1 UNL1111111111 -0.2639 18 C 3.1766 -0.2753 1.1725 C.2 1 UNL1111111111 -0.2228 19 C 3.8089 0.2138 0.1055 C.2 1 UNL1111111111 -0.1990 20 C -2.7230 -2.3111 -1.4747 C.3 1 UNL1111111111 -0.2520 21 C -3.6231 1.4481 1.1761 C.3 1 UNL1111111111 -0.3458 22 C -3.2993 -2.2173 -2.8870 C.3 1 UNL1111111111 -0.4373 23 C -4.9957 0.9847 0.8100 C.2 1 UNL1111111111 0.6480 24 H 1.6786 2.1191 -2.6565 H 1 UNL1111111111 0.1420 25 H 2.0147 0.6170 -1.7924 H 1 UNL1111111111 0.1434 26 H 1.0895 3.2425 -0.4381 H 1 UNL1111111111 0.1398 27 H 1.3786 1.7130 0.3935 H 1 UNL1111111111 0.1314 28 H 1.3176 -3.1803 1.6786 H 1 UNL1111111111 0.1524 29 H 1.0480 -0.8683 -0.3964 H 1 UNL1111111111 0.1489 30 H 1.4166 -2.5458 -0.7878 H 1 UNL1111111111 0.1716 31 H 3.5056 3.3049 -1.4362 H 1 UNL1111111111 0.1510 32 H 4.1220 1.8714 -2.2499 H 1 UNL1111111111 0.1621 33 H -0.3628 0.6324 -1.2325 H 1 UNL1111111111 0.1442 34 H -0.7560 2.2679 -1.7659 H 1 UNL1111111111 0.1417 35 H -0.7992 -3.2497 0.3225 H 1 UNL1111111111 0.1434 36 H -1.1650 -1.5519 0.6150 H 1 UNL1111111111 0.1405 37 H 3.3738 -2.0360 2.4026 H 1 UNL1111111111 0.1363 38 H 3.6705 2.2956 0.7644 H 1 UNL1111111111 0.1168 39 H -0.8979 1.2871 1.1666 H 1 UNL1111111111 0.1307 40 H -1.3206 2.9139 0.6224 H 1 UNL1111111111 0.1396 41 H -0.9505 -1.1361 -1.9330 H 1 UNL1111111111 0.1310 42 H -0.7312 -2.8720 -2.1505 H 1 UNL1111111111 0.1392 43 H -3.1195 1.9640 -0.8801 H 1 UNL1111111111 0.1500 44 H -2.6676 0.3231 -0.4244 H 1 UNL1111111111 0.1629 45 H 2.7746 0.3619 1.9610 H 1 UNL1111111111 0.1544 46 H 4.2064 -0.4148 -0.6916 H 1 UNL1111111111 0.1684 47 H -3.2043 -1.5527 -0.8250 H 1 UNL1111111111 0.1412 48 H -2.9782 -3.2891 -1.0254 H 1 UNL1111111111 0.1352 49 H -3.2345 0.8191 2.0077 H 1 UNL1111111111 0.1808 50 H -3.6542 2.4825 1.5833 H 1 UNL1111111111 0.1820 51 H 0.5516 -0.4906 1.9939 H 1 UNL1111111111 0.3155 52 H -2.9026 -3.0038 -3.5370 H 1 UNL1111111111 0.1387 53 H -3.0702 -1.2519 -3.3513 H 1 UNL1111111111 0.1406 54 H -4.3911 -2.3176 -2.8724 H 1 UNL1111111111 0.1456 55 H 4.5326 -2.3788 0.3879 H 1 UNL1111111111 0.3188 56 H 5.9139 1.5719 0.5458 H 1 UNL1111111111 0.3133 57 H -6.8445 1.2805 1.4503 H 1 UNL1111111111 0.3554 @BOND 1 1 8 1 2 1 51 1 3 2 13 1 4 2 55 1 5 3 14 1 6 3 56 1 7 4 23 1 8 4 57 1 9 5 23 2 10 6 7 1 11 6 9 1 12 6 24 1 13 6 25 1 14 7 11 1 15 7 26 1 16 7 27 1 17 8 10 1 18 8 13 1 19 8 28 1 20 9 14 1 21 9 31 1 22 9 32 1 23 10 12 1 24 10 29 1 25 10 30 1 26 11 15 1 27 11 33 1 28 11 34 1 29 12 16 1 30 12 35 1 31 12 36 1 32 13 18 1 33 13 37 1 34 14 19 1 35 14 38 1 36 15 17 1 37 15 39 1 38 15 40 1 39 16 20 1 40 16 41 1 41 16 42 1 42 17 21 1 43 17 43 1 44 17 44 1 45 18 19 2 46 18 45 1 47 19 46 1 48 20 22 1 49 20 47 1 50 20 48 1 51 21 23 1 52 21 49 1 53 21 50 1 54 22 52 1 55 22 53 1 56 22 54 1