@MOLECULE picryl chloride 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 2.6885 0.0006 -0.0014 Cl 1 UNL1 0.1266 2 O 0.2218 3.4965 -0.0006 O.2 1 UNL1 -0.3755 3 O 0.2235 -3.4962 -0.0004 O.2 1 UNL1 -0.3756 4 O 2.1686 2.5849 0.0019 O.2 1 UNL1 -0.3464 5 O 2.1701 -2.5840 0.0009 O.2 1 UNL1 -0.3463 6 O -3.8036 1.0786 -0.0006 O.2 1 UNL1 -0.3672 7 O -3.8041 -1.0797 -0.0002 O.2 1 UNL1 -0.3671 8 N 0.9566 2.5235 0.0004 N.pl3 1 UNL1 0.6273 9 N 0.9581 -2.5230 0.0004 N.pl3 1 UNL1 0.6273 10 N -3.2420 -0.0006 -0.0001 N.pl3 1 UNL1 0.6285 11 C 0.3028 1.2103 0.0001 C.ar 1 UNL1 -0.1569 12 C 0.3034 -1.2103 0.0005 C.ar 1 UNL1 -0.1569 13 C -1.7796 -0.0007 0.0004 C.ar 1 UNL1 -0.1421 14 C 1.0157 0.0002 -0.0001 C.ar 1 UNL1 0.1050 15 C -1.0957 1.2145 0.0001 C.ar 1 UNL1 0.0302 16 C -1.0952 -1.2156 0.0009 C.ar 1 UNL1 0.0303 17 H -1.6567 2.1712 -0.0001 H 1 UNL1 0.2294 18 H -1.6552 -2.1729 0.0018 H 1 UNL1 0.2294 @BOND 1 1 14 1 2 2 8 2 3 6 10 2 4 3 9 2 5 7 10 2 6 10 13 1 7 17 15 1 8 14 11 ar 9 14 12 ar 10 15 11 ar 11 15 13 ar 12 11 8 1 13 9 12 1 14 9 5 2 15 8 4 2 16 13 16 ar 17 12 16 ar 18 16 18 1