Conversion of nitro ylid to neutral

• First set up the following SMARTS definitions in the vector binding file:

NPOS              [N,n;+;!H]

ONEG             [O;-]

 

• The following entries in the SMARTS definition file will convert both nitro and   N-oxides:

[$NPOS][$ONEG]

CHG       1        0

CHG       2        0

BND       1        2       2