% Atom types for GBVI.
% Subsequence matches replace earlier matches, so most general types should go first, more specific types later.

% SMARTS atom match                   typename         comment

[$([#6]=[*]),$([#6]#[*]),$([#6]:[*])] C(pi)            % carbon (pi-bonded)
[#7]                                  N                % nitrogen
[$([#7]=[*]),$([#7]#[*]),$([#7]:[*])] N(pi)            % nitrogen (pi-bonded)
[#8]                                  O                % oxygen
[$([#8]=[*]),$([#8]#[*]),$([#8]:[*])] O(pi)            % oxygen (pi-bonded)
[$([#1]~[#7])]                        HN               % H (on N)
[$([#1]~[#8])]                        HO               % H (on O)
[$([#1]~[#15])]                       HP               % H (on P)
[$([#1]~[#16])]                       HS               % H (on S)
[$([#1]~[#6])]                        HC               % H (on C)
[P]                                   P                % phosphorus
[S]                                   S                % sulfur
[F]                                   F                % fluorine
[Cl]                                  Cl               % chlorine
[Br]                                  Br               % bromine
[I]                                   I                % iodine