@MOLECULE hexamethylbenzene 30 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.4312 2.5166 0.0793 C.3 1 UNL1 -0.4392 2 C -0.6929 1.2166 0.0129 C.ar 1 UNL1 -0.0215 3 C 0.7081 1.2090 -0.0132 C.ar 1 UNL1 -0.0215 4 C 1.4006 -0.0083 0.0139 C.ar 1 UNL1 -0.0216 5 C 0.6923 -1.2170 -0.0140 C.ar 1 UNL1 -0.0217 6 C -0.7078 -1.2086 0.0130 C.ar 1 UNL1 -0.0214 7 C -1.4012 0.0086 -0.0130 C.ar 1 UNL1 -0.0216 8 C -2.8964 0.0166 -0.0791 C.3 1 UNL1 -0.4390 9 C -1.4648 -2.4979 0.0807 C.3 1 UNL1 -0.4391 10 C 1.4347 -2.5147 -0.0819 C.3 1 UNL1 -0.4390 11 C 2.8955 -0.0202 0.0820 C.3 1 UNL1 -0.4391 12 C 1.4627 2.4995 -0.0805 C.3 1 UNL1 -0.4390 13 H -1.6401 2.9003 -0.9296 H 1 UNL1 0.1544 14 H -2.3900 2.4248 0.6076 H 1 UNL1 0.1531 15 H -0.8675 3.2883 0.6211 H 1 UNL1 0.1532 16 H -3.3331 0.0107 0.9297 H 1 UNL1 0.1544 17 H -3.2863 0.8970 -0.6077 H 1 UNL1 0.1531 18 H -3.2927 -0.8528 -0.6214 H 1 UNL1 0.1532 19 H -0.9043 -3.2838 0.6050 H 1 UNL1 0.1531 20 H -2.4121 -2.3956 0.6276 H 1 UNL1 0.1532 21 H -1.6979 -2.8683 -0.9278 H 1 UNL1 0.1544 22 H 1.6741 -2.8824 0.9261 H 1 UNL1 0.1544 23 H 0.8619 -3.2979 -0.5966 H 1 UNL1 0.1530 24 H 2.3775 -2.4239 -0.6388 H 1 UNL1 0.1532 25 H 3.2791 -0.8908 0.6317 H 1 UNL1 0.1532 26 H 3.3336 -0.0409 -0.9261 H 1 UNL1 0.1544 27 H 3.2971 0.8590 0.6036 H 1 UNL1 0.1530 28 H 1.6792 2.8799 0.9279 H 1 UNL1 0.1544 29 H 2.4186 2.3961 -0.6120 H 1 UNL1 0.1531 30 H 0.9071 3.2784 -0.6205 H 1 UNL1 0.1532 @BOND 1 13 1 1 2 21 9 1 3 26 11 1 4 24 10 1 5 18 8 1 6 30 12 1 7 29 12 1 8 17 8 1 9 23 10 1 10 10 5 1 11 10 22 1 12 12 3 1 13 12 28 1 14 8 7 1 15 8 16 1 16 5 6 ar 17 5 4 ar 18 3 2 ar 19 3 4 ar 20 7 2 ar 21 7 6 ar 22 2 1 1 23 6 9 1 24 4 11 1 25 1 14 1 26 1 15 1 27 9 19 1 28 9 20 1 29 11 27 1 30 11 25 1