@MOLECULE 2-ethylphenol 19 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.9732 0.6758 0.0041 C.3 1 UNL1 -0.4281 2 C -1.9284 -0.4405 -0.0034 C.3 1 UNL1 -0.2525 3 C -0.5074 0.0327 -0.0017 C.ar 1 UNL1 -0.1328 4 C -0.1460 1.3787 -0.0020 C.ar 1 UNL1 -0.1045 5 C 1.1946 1.7640 -0.0006 C.ar 1 UNL1 -0.2123 6 C 2.2043 0.8032 0.0012 C.ar 1 UNL1 -0.0978 7 C 1.8813 -0.5488 0.0015 C.ar 1 UNL1 -0.2352 8 C 0.5321 -0.9113 0.0000 C.ar 1 UNL1 0.2538 9 O 0.3204 -2.2555 0.0004 O.3 1 UNL1 -0.4774 10 H -3.9892 0.2632 0.0044 H 1 UNL1 0.1448 11 H -2.8826 1.3185 -0.8799 H 1 UNL1 0.1487 12 H -2.8785 1.3100 0.8938 H 1 UNL1 0.1488 13 H -2.0998 -1.0906 0.8845 H 1 UNL1 0.1443 14 H -2.1008 -1.0800 -0.8987 H 1 UNL1 0.1445 15 H -0.9150 2.1505 -0.0035 H 1 UNL1 0.1531 16 H 1.4512 2.8201 -0.0009 H 1 UNL1 0.1529 17 H 3.2492 1.1106 0.0025 H 1 UNL1 0.1509 18 H 2.6470 -1.3204 0.0029 H 1 UNL1 0.1746 19 H -0.6352 -2.4944 -0.0009 H 1 UNL1 0.3241 @BOND 1 14 2 1 2 11 1 1 3 15 4 1 4 2 3 1 5 2 1 1 6 2 13 1 7 4 3 ar 8 4 5 ar 9 3 8 ar 10 19 9 1 11 16 5 1 12 5 6 ar 13 8 9 1 14 8 7 ar 15 6 7 ar 16 6 17 1 17 7 18 1 18 1 10 1 19 1 12 1