@MOLECULE 3-anisic acid 19 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4471 -1.1016 -0.0004 O.3 1 UNL1111111111 -0.3046 2 O 3.2501 0.4343 -0.0014 O.3 1 UNL1111111111 -0.5556 3 O 2.5450 -1.6752 0.0009 O.2 1 UNL1111111111 -0.4920 4 C 0.9249 0.1116 0.0004 C.ar 1 UNL1111111111 -0.0796 5 C -1.4589 -0.1680 -0.0002 C.ar 1 UNL1111111111 0.2218 6 C -0.1756 -0.7379 0.0000 C.ar 1 UNL1111111111 -0.1836 7 C 0.7636 1.5004 0.0007 C.ar 1 UNL1111111111 -0.1482 8 C -1.6414 1.2146 -0.0001 C.ar 1 UNL1111111111 -0.2535 9 C -0.5182 2.0420 0.0004 C.ar 1 UNL1111111111 -0.1066 10 C 2.2643 -0.5040 0.0002 C.2 1 UNL1111111111 0.6373 11 C -3.7873 -0.6297 -0.0001 C.3 1 UNL1111111111 -0.2051 12 H -0.0567 -1.8239 -0.0001 H 1 UNL1111111111 0.1942 13 H 1.6382 2.1529 0.0009 H 1 UNL1111111111 0.1778 14 H -2.6342 1.6529 -0.0003 H 1 UNL1111111111 0.1621 15 H -0.6485 3.1241 0.0006 H 1 UNL1111111111 0.1542 16 H -4.0011 -0.0530 -0.9049 H 1 UNL1111111111 0.1343 17 H -4.0006 -0.0535 0.9052 H 1 UNL1111111111 0.1343 18 H -4.3598 -1.5685 -0.0003 H 1 UNL1111111111 0.1573 19 H 4.1582 0.0411 -0.0017 H 1 UNL1111111111 0.3555 @BOND 1 1 5 1 2 1 11 1 3 2 10 1 4 2 19 1 5 3 10 2 6 4 6 ar 7 4 7 ar 8 4 10 1 9 5 6 ar 10 5 8 ar 11 6 12 1 12 7 9 ar 13 7 13 1 14 8 9 ar 15 8 14 1 16 9 15 1 17 11 16 1 18 11 17 1 19 11 18 1