@MOLECULE methylbenzoate 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.3542 -0.6317 0.0008 C.3 1 UNL1 -0.1665 2 H 3.7035 -1.6704 -0.0053 H 1 UNL1 0.1449 3 H 3.6813 -0.0933 -0.8953 H 1 UNL1 0.1415 4 H 3.6808 -0.1036 0.9031 H 1 UNL1 0.1413 5 O 1.9370 -0.7729 0.0005 O.3 1 UNL1 -0.4082 6 C 1.2285 0.3884 -0.0002 C.2 1 UNL1 0.5963 7 O 1.7697 1.4658 -0.0012 O.2 1 UNL1 -0.4989 8 C -0.2210 0.1241 -0.0001 C.ar 1 UNL1 -0.1500 9 C -1.0832 1.2238 0.0005 C.ar 1 UNL1 -0.0768 10 H -0.6705 2.2365 0.0008 H 1 UNL1 0.1737 11 C -2.4605 1.0191 0.0007 C.ar 1 UNL1 -0.1760 12 H -3.1362 1.8722 0.0011 H 1 UNL1 0.1573 13 C -2.9720 -0.2782 0.0001 C.ar 1 UNL1 -0.0977 14 H -4.0500 -0.4372 0.0003 H 1 UNL1 0.1494 15 C -2.1083 -1.3736 -0.0004 C.ar 1 UNL1 -0.1786 16 H -2.5109 -2.3841 -0.0009 H 1 UNL1 0.1561 17 C -0.7293 -1.1757 -0.0007 C.ar 1 UNL1 -0.0767 18 H -0.0518 -2.0321 -0.0012 H 1 UNL1 0.1688 @BOND 1 3 1 1 2 2 1 1 3 18 17 1 4 7 6 2 5 16 15 1 6 17 15 ar 7 17 8 ar 8 15 13 ar 9 6 8 1 10 6 5 1 11 8 9 ar 12 13 14 1 13 13 11 ar 14 9 11 ar 15 9 10 1 16 5 1 1 17 11 12 1 18 1 4 1