@MOLECULE carbon monoxide; chromium; mesitylene 16 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.4562 0.6912 0.0594 C.2 1 UNL1 -0.3769 2 C -2.4303 1.6162 -0.0100 C.2 1 UNL1 -0.0371 3 C -3.4471 -0.7063 0.1097 C.2 1 UNL1 0.0111 4 C -4.7109 0.0448 0.1295 C.3 1 UNL1 0.2768 5 C -1.0594 1.5343 -0.1118 C.3 1 UNL1 -0.3294 6 C -2.3646 -1.5079 0.0850 C.1 1 UNL1 -0.3800 7 C -0.0622 0.5491 -0.1780 C.3 1 UNL1 -0.0775 8 C -1.6515 2.8381 -0.0170 C.3 1 UNL1 0.2700 9 C -1.1557 -1.7846 0.0154 C.2 1 UNL1 0.0288 10 O 1.6090 -2.8908 -0.0047 O.3 1 UNL1 -0.4673 11 C 2.4104 -3.3928 0.6483 C.3 1 UNL1 0.5864 12 O 2.6945 0.6224 -0.3525 O.3 1 UNL1 -0.3430 13 C 2.9602 -0.4915 -0.3228 C.3 1 UNL1 0.4013 14 O 3.1547 3.1377 0.5804 O.2 1 UNL1 -0.4729 15 C 2.2581 3.4465 -0.0552 C.2 1 UNL1 0.4727 16 CR 0.6409 -0.9229 -0.1501 Cr.oh 1 UNL1 0.4369 @BOND 1 12 13 1 2 13 16 1 3 7 16 1 4 7 5 1 5 16 10 1 6 16 9 1 7 5 8 1 8 5 2 1 9 15 14 2 10 8 2 1 11 2 1 2 12 10 11 1 13 9 6 2 14 1 3 1 15 1 4 1 16 6 3 2 17 3 4 1