@MOLECULE 3,5-dimethylphenol 19 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.3401 1.3088 0.0000 C.ar 1 UNL1 0.3264 2 C 1.3533 0.3489 0.0000 C.ar 1 UNL1 -0.3182 3 C 0.9858 -0.9967 -0.0000 C.ar 1 UNL1 0.1356 4 C -0.3649 -1.3555 -0.0001 C.ar 1 UNL1 -0.3081 5 C -1.3604 -0.3745 -0.0000 C.ar 1 UNL1 0.1439 6 C -1.0163 0.9778 0.0000 C.ar 1 UNL1 -0.3741 7 O 0.7669 2.5992 -0.0000 O.3 1 UNL1 -0.4761 8 H 2.3935 0.6570 -0.0000 H 1 UNL1 0.1788 9 C 2.0474 -2.0443 0.0000 C.3 1 UNL1 -0.4615 10 H -0.6454 -2.4041 -0.0002 H 1 UNL1 0.1597 11 C -2.7942 -0.7855 0.0000 C.3 1 UNL1 -0.4633 12 H -1.7780 1.7465 0.0000 H 1 UNL1 0.1630 13 H 0.0171 3.2405 -0.0000 H 1 UNL1 0.3261 14 H -3.4840 0.0684 -0.0014 H 1 UNL1 0.1565 15 H -3.0324 -1.3952 -0.8846 H 1 UNL1 0.1634 16 H -3.0329 -1.3928 0.8862 H 1 UNL1 0.1634 17 H 1.6406 -3.0639 -0.0007 H 1 UNL1 0.1556 18 H 2.6953 -1.9530 -0.8850 H 1 UNL1 0.1646 19 H 2.6943 -1.9539 0.8859 H 1 UNL1 0.1646 @BOND 1 18 9 1 2 15 11 1 3 14 11 1 4 17 9 1 5 10 4 1 6 4 5 ar 7 4 3 ar 8 7 1 1 9 7 13 1 10 8 2 1 11 9 3 1 12 9 19 1 13 1 6 ar 14 1 2 ar 15 11 5 1 16 11 16 1 17 12 6 1 18 6 5 ar 19 2 3 ar