@MOLECULE 3-acetylpyridine 16 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.2552 -1.1749 0.0018 O.2 1 UNL1 -0.4440 2 N -1.8309 1.2351 0.0009 N.ar 1 UNL1 -0.3852 3 C 0.2171 -0.0314 -0.0007 C.ar 1 UNL1 -0.2595 4 C 1.6973 -0.1031 -0.0004 C.2 1 UNL1 0.4966 5 C -0.5124 -1.2247 -0.0011 C.ar 1 UNL1 -0.0136 6 C -0.4874 1.1814 0.0009 C.ar 1 UNL1 0.0909 7 C -1.9033 -1.1746 -0.0004 C.ar 1 UNL1 -0.2647 8 C 2.4765 1.1770 -0.0013 C.3 1 UNL1 -0.5456 9 C -2.5255 0.0807 -0.0003 C.ar 1 UNL1 0.0863 10 H 0.0166 -2.1842 -0.0015 H 1 UNL1 0.1809 11 H 0.0208 2.1541 0.0023 H 1 UNL1 0.1729 12 H 2.2608 1.7855 -0.8895 H 1 UNL1 0.1761 13 H 3.5610 0.9757 -0.0039 H 1 UNL1 0.1878 14 H 2.2647 1.7829 0.8898 H 1 UNL1 0.1762 15 H -2.4958 -2.0853 0.0010 H 1 UNL1 0.1726 16 H -3.6176 0.1856 -0.0007 H 1 UNL1 0.1723 @BOND 1 12 8 1 2 13 8 1 3 10 5 1 4 8 4 1 5 8 14 1 6 5 3 ar 7 5 7 ar 8 3 4 1 9 3 6 ar 10 16 9 1 11 4 1 2 12 7 9 ar 13 7 15 1 14 9 2 ar 15 6 2 ar 16 6 11 1