@MOLECULE 2-methylphenol 16 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.4676 -0.6926 -0.0000 C.ar 1 UNL1 0.2585 2 C 0.5643 0.7057 0.0001 C.ar 1 UNL1 -0.1166 3 C -0.6226 1.4385 0.0000 C.ar 1 UNL1 -0.1091 4 C -1.8584 0.7939 -0.0000 C.ar 1 UNL1 -0.2098 5 C -1.9265 -0.5997 -0.0000 C.ar 1 UNL1 -0.0978 6 C -0.7615 -1.3581 -0.0000 C.ar 1 UNL1 -0.2360 7 C 1.8901 1.3828 -0.0000 C.3 1 UNL1 -0.4412 8 O 1.5533 -1.5114 0.0000 O.3 1 UNL1 -0.4745 9 H 1.7965 2.4792 0.0004 H 1 UNL1 0.1621 10 H 2.4802 1.1237 0.8918 H 1 UNL1 0.1550 11 H 2.4796 1.1244 -0.8925 H 1 UNL1 0.1550 12 H -0.5839 2.5269 0.0000 H 1 UNL1 0.1500 13 H -2.7735 1.3804 -0.0000 H 1 UNL1 0.1531 14 H -2.8957 -1.0966 0.0000 H 1 UNL1 0.1510 15 H -0.7863 -2.4446 -0.0000 H 1 UNL1 0.1742 16 H 2.4032 -1.0102 0.0001 H 1 UNL1 0.3262 @BOND 1 11 7 1 2 15 6 1 3 3 4 ar 4 3 12 1 5 3 2 ar 6 4 5 ar 7 4 13 1 8 5 6 ar 9 5 14 1 10 6 1 ar 11 7 2 1 12 7 9 1 13 7 10 1 14 8 1 1 15 8 16 1 16 1 2 ar