@MOLECULE nitrooxidanyl 4 3 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 0.0002 -0.0876 -0.0000 N.pl3 1 UNL1 0.6598 2 O 1.0997 -0.5962 0.0000 O.2 1 UNL1 -0.3333 3 O -0.0022 1.2727 0.0000 O.2 1 UNL1 0.0068 4 O -1.0976 -0.5998 0.0000 O.2 1 UNL1 -0.3333 @BOND 1 1 2 2 2 1 3 2 3 1 4 1