@MOLECULE 2,6-xylenol 19 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.0142 0.6599 0.0000 C.ar 1 UNL1 0.2130 2 C 1.2246 -0.0529 -0.0000 C.ar 1 UNL1 -0.0345 3 C 1.1638 -1.4434 -0.0000 C.ar 1 UNL1 -0.1443 4 C -0.0683 -2.0986 0.0000 C.ar 1 UNL1 -0.1894 5 C -1.2550 -1.3717 0.0001 C.ar 1 UNL1 -0.1340 6 C -1.2315 0.0244 -0.0000 C.ar 1 UNL1 -0.0998 7 O 0.1555 2.0146 0.0001 O.3 1 UNL1 -0.4712 8 C 2.5143 0.6862 -0.0000 C.3 1 UNL1 -0.4288 9 H 2.0842 -2.0246 -0.0001 H 1 UNL1 0.1540 10 H -0.0997 -3.1856 0.0001 H 1 UNL1 0.1521 11 H -2.2093 -1.8950 -0.0000 H 1 UNL1 0.1513 12 C -2.4938 0.8149 -0.0001 C.3 1 UNL1 -0.4415 13 H -0.7149 2.4790 0.0007 H 1 UNL1 0.3228 14 H -2.5733 1.4540 -0.8922 H 1 UNL1 0.1546 15 H -3.3861 0.1712 -0.0003 H 1 UNL1 0.1623 16 H -2.5736 1.4537 0.8922 H 1 UNL1 0.1546 17 H 2.5918 1.3447 0.8805 H 1 UNL1 0.1649 18 H 3.3877 0.0235 0.0015 H 1 UNL1 0.1489 19 H 2.5928 1.3423 -0.8824 H 1 UNL1 0.1649 @BOND 1 14 12 1 2 19 8 1 3 15 12 1 4 12 6 1 5 12 16 1 6 9 3 1 7 6 1 ar 8 6 5 ar 9 2 8 1 10 2 3 ar 11 2 1 ar 12 8 18 1 13 8 17 1 14 3 4 ar 15 1 7 1 16 11 5 1 17 4 10 1 18 4 5 ar 19 7 13 1