@MOLECULE 2,4,6-trimethylbenzoic acid 24 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.4869 0.0017 1.1599 O.3 1 UNL1 -0.5533 2 O 2.6812 -0.0009 -1.0553 O.2 1 UNL1 -0.5039 3 C -0.2036 -1.2180 -0.0261 C.ar 1 UNL1 0.1353 4 C -0.2029 1.2170 -0.0266 C.ar 1 UNL1 0.1353 5 C 0.4865 -0.0007 -0.0404 C.ar 1 UNL1 -0.2311 6 C -2.2941 0.0005 0.0010 C.ar 1 UNL1 0.1183 7 C -1.5980 -1.2102 -0.0070 C.ar 1 UNL1 -0.2668 8 C -1.5974 1.2107 -0.0072 C.ar 1 UNL1 -0.2669 9 C 0.5462 -2.5049 -0.0338 C.3 1 UNL1 -0.4710 10 C 0.5479 2.5034 -0.0348 C.3 1 UNL1 -0.4710 11 C -3.7846 0.0012 0.0360 C.3 1 UNL1 -0.4640 12 C 1.9565 -0.0003 -0.0947 C.2 1 UNL1 0.6636 13 H -2.1450 -2.1493 0.0031 H 1 UNL1 0.1625 14 H -2.1434 2.1503 0.0031 H 1 UNL1 0.1625 15 H 1.1905 -2.5881 -0.9250 H 1 UNL1 0.1752 16 H 1.2010 -2.5896 0.8491 H 1 UNL1 0.1732 17 H -0.1113 -3.3842 -0.0312 H 1 UNL1 0.1609 18 H 1.2019 2.5807 -0.9195 H 1 UNL1 0.1751 19 H -0.1092 3.3830 -0.0450 H 1 UNL1 0.1609 20 H 1.1931 2.5930 0.8546 H 1 UNL1 0.1733 21 H -4.1475 0.0154 1.0761 H 1 UNL1 0.1661 22 H -4.2148 0.8779 -0.4678 H 1 UNL1 0.1598 23 H -4.2161 -0.8879 -0.4442 H 1 UNL1 0.1595 24 H 3.4752 0.0020 1.1685 H 1 UNL1 0.3465 @BOND 1 2 12 2 2 15 9 1 3 18 10 1 4 22 11 1 5 23 11 1 6 12 5 1 7 12 1 1 8 19 10 1 9 5 4 ar 10 5 3 ar 11 10 4 1 12 10 20 1 13 9 17 1 14 9 3 1 15 9 16 1 16 4 8 ar 17 3 7 ar 18 8 6 ar 19 8 14 1 20 7 6 ar 21 7 13 1 22 6 11 1 23 11 21 1 24 1 24 1