This file contains labels and definitions for chemical labeling. Nothing outside of addition to a label needs to be assigned to an atom. A label may have multiple definition lines but the names must match the rules in the chem_match.tbl file.
________________________________________________________ name hydrophobic definition C. [ O. ] [ N . [ 2 O.2 ] [ 2 C. ] ] ( * ) definition N.pl3 ( 3 C. ) definition Cl ( C. ) definition Br ( C. ) definition I ( C. ) definition C.3 [ * ] ________________________________________________________ name donor definition N. ( H ) definition N.4 [ * ] ________________________________________________________ name acceptor definition O. [ H ] [ N. ] ( * ) definition O.3 ( 1 * ) [ N. ] definition O.co2 ( C.2 ( O.co2 ) ) definition N. [ H ] [ N. ] [ O . ] [ 3 . ] ( * ) definition O.2 [ * ] ________________________________________________________