@MOLECULE (5xi,8alpha,10alpha)-9-hydroxy-7-oxopimar-15-en-18-oic acid 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0666 -2.1793 1.2219 O.3 1 UNL1111111111 -0.5665 2 O 1.5796 2.4438 0.7496 O.2 1 UNL1111111111 -0.4702 3 O -4.6399 0.1336 0.3903 O.3 1 UNL1111111111 -0.5683 4 O -3.2076 1.5172 1.3489 O.2 1 UNL1111111111 -0.5298 5 C -0.7925 -0.9431 0.2995 C.3 1 UNL1111111111 0.0100 6 C 0.7736 -1.0813 0.3719 C.3 1 UNL1111111111 0.2916 7 C -1.1078 0.3427 -0.5047 C.3 1 UNL1111111111 -0.1126 8 C 1.4082 0.1097 1.1155 C.3 1 UNL1111111111 -0.2444 9 C -2.6207 0.5099 -0.8189 C.3 1 UNL1111111111 0.0121 10 C -1.3812 -2.1746 -0.4238 C.3 1 UNL1111111111 -0.2932 11 C 1.4286 -1.3119 -1.0011 C.3 1 UNL1111111111 -0.3426 12 C -0.5199 1.5866 0.1612 C.3 1 UNL1111111111 -0.4174 13 C 2.9439 0.0496 1.1102 C.3 1 UNL1111111111 -0.2676 14 C 3.5922 -0.2447 -0.2587 C.3 1 UNL1111111111 0.0824 15 C -3.1183 -0.7496 -1.5547 C.3 1 UNL1111111111 -0.2730 16 C 0.9006 1.4504 0.6416 C.2 1 UNL1111111111 0.4829 17 C -2.8727 -2.0137 -0.7294 C.3 1 UNL1111111111 -0.2639 18 C -1.3442 -0.9025 1.7283 C.3 1 UNL1111111111 -0.4611 19 C 2.9361 -1.5137 -0.8437 C.3 1 UNL1111111111 -0.2810 20 C -2.8518 1.7329 -1.7242 C.3 1 UNL1111111111 -0.4625 21 C -3.4435 0.7830 0.4233 C.2 1 UNL1111111111 0.6400 22 C 5.0941 -0.5247 -0.0367 C.3 1 UNL1111111111 -0.4625 23 C 3.4942 0.8944 -1.2400 C.2 1 UNL1111111111 -0.1674 24 C 3.7132 2.1728 -0.9365 C.2 1 UNL1111111111 -0.2912 25 H -0.6109 0.2307 -1.5075 H 1 UNL1111111111 0.1477 26 H 1.0888 0.0240 2.1974 H 1 UNL1111111111 0.1878 27 H -1.2262 -3.0755 0.1997 H 1 UNL1111111111 0.1393 28 H -0.8473 -2.3604 -1.3752 H 1 UNL1111111111 0.1361 29 H 1.2332 -0.4448 -1.6617 H 1 UNL1111111111 0.1551 30 H 0.9903 -2.1896 -1.5089 H 1 UNL1111111111 0.1379 31 H -1.1334 1.9002 1.0430 H 1 UNL1111111111 0.2111 32 H -0.5792 2.4561 -0.5291 H 1 UNL1111111111 0.1782 33 H 3.3461 1.0017 1.5142 H 1 UNL1111111111 0.1601 34 H 3.2548 -0.7446 1.8215 H 1 UNL1111111111 0.1504 35 H -2.6086 -0.8307 -2.5337 H 1 UNL1111111111 0.1419 36 H -4.1984 -0.6562 -1.7853 H 1 UNL1111111111 0.1534 37 H -3.4648 -1.9814 0.2063 H 1 UNL1111111111 0.1522 38 H -3.2437 -2.9007 -1.2771 H 1 UNL1111111111 0.1341 39 H -0.8661 -1.6661 2.3588 H 1 UNL1111111111 0.1672 40 H -1.1834 0.0673 2.2133 H 1 UNL1111111111 0.1587 41 H -2.4219 -1.0954 1.7594 H 1 UNL1111111111 0.1466 42 H 3.1343 -2.3729 -0.1731 H 1 UNL1111111111 0.1497 43 H 3.3937 -1.7713 -1.8150 H 1 UNL1111111111 0.1338 44 H -2.6365 2.6767 -1.2050 H 1 UNL1111111111 0.1655 45 H -2.2142 1.6945 -2.6150 H 1 UNL1111111111 0.1591 46 H -3.8917 1.7850 -2.0700 H 1 UNL1111111111 0.1551 47 H 0.8958 -3.0274 0.7748 H 1 UNL1111111111 0.3136 48 H 5.6017 -0.7313 -0.9842 H 1 UNL1111111111 0.1448 49 H 5.5901 0.3404 0.4179 H 1 UNL1111111111 0.1518 50 H 5.2511 -1.3843 0.6215 H 1 UNL1111111111 0.1442 51 H 3.2647 0.5933 -2.2612 H 1 UNL1111111111 0.1340 52 H -5.2171 0.3397 1.1657 H 1 UNL1111111111 0.3515 53 H 3.6583 2.9731 -1.6567 H 1 UNL1111111111 0.1374 54 H 3.9362 2.5286 0.0597 H 1 UNL1111111111 0.1577 @BOND 1 1 6 1 2 1 47 1 3 2 16 2 4 3 21 1 5 3 52 1 6 4 21 2 7 5 6 1 8 5 7 1 9 5 10 1 10 5 18 1 11 6 8 1 12 6 11 1 13 7 9 1 14 7 12 1 15 7 25 1 16 8 13 1 17 8 16 1 18 8 26 1 19 9 15 1 20 9 20 1 21 9 21 1 22 10 17 1 23 10 27 1 24 10 28 1 25 11 19 1 26 11 29 1 27 11 30 1 28 12 16 1 29 12 31 1 30 12 32 1 31 13 14 1 32 13 33 1 33 13 34 1 34 14 19 1 35 14 22 1 36 14 23 1 37 15 17 1 38 15 35 1 39 15 36 1 40 17 37 1 41 17 38 1 42 18 39 1 43 18 40 1 44 18 41 1 45 19 42 1 46 19 43 1 47 20 44 1 48 20 45 1 49 20 46 1 50 22 48 1 51 22 49 1 52 22 50 1 53 23 24 2 54 23 51 1 55 24 53 1 56 24 54 1