# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level COT COT 'COA-S-ACETYL TRYPTAMINE ' non-polymer 111 63 M # data_comp_COT # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge COT C1T C . 0.000 COT CGT C . 0.000 COT CD2T C . 0.000 COT CE2T C . 0.000 COT CE3T C . 0.000 COT CD1T C . 0.000 COT NE1T N . 0.000 COT CZ2T C . 0.000 COT CZ3T C . 0.000 COT CH2T C . 0.000 COT S S . 0.000 COT C6T C . 0.000 COT C4T C . 0.000 COT O5T O . 0.000 COT N3T N . 0.000 COT C2T C . 0.000 COT OPB3 O . 0.000 COT PB P . 0.000 COT OPB1 O . 0.000 COT OPB2 O . 0.000 COT OPA3 O . 0.000 COT O3*A O . 0.000 COT PA P . 0.000 COT OPA2 O . 0.000 COT OPA1 O . 0.000 COT O5*A O . 0.000 COT C5*A C . 0.000 COT C4*A C . 0.000 COT C3*A C . 0.000 COT O2*A O . 0.000 COT O4*A O . 0.000 COT PC P . 0.000 COT OPC1 O . 0.000 COT OPC2 O . 0.000 COT OPC3 O . 0.000 COT C2*A C . 0.000 COT C1*A C . 0.000 COT N9A N . 0.000 COT C8A C . 0.000 COT N7A N . 0.000 COT C5A C . 0.000 COT C6A C . 0.000 COT N6A N . 0.000 COT N1A N . 0.000 COT C2A C . 0.000 COT N3A N . 0.000 COT C4A C . 0.000 COT N3P N . 0.000 COT C4P C . 0.000 COT O5P O . 0.000 COT C6P C . 0.000 COT C7P C . 0.000 COT N8P N . 0.000 COT C9P C . 0.000 COT O10P O . 0.000 COT C11P C . 0.000 COT O12P O . 0.000 COT C13P C . 0.000 COT C16P C . 0.000 COT C14P C . 0.000 COT C15P C . 0.000 COT C2P C . 0.000 COT C1P C . 0.000 COT HNE H . 0.000 COT HD1 H . 0.000 COT HE3 H . 0.000 COT HH2 H . 0.000 COT HZ3 H . 0.000 COT HZ2 H . 0.000 COT H1T1 H . 0.000 COT H1T2 H . 0.000 COT H2T1 H . 0.000 COT H2T2 H . 0.000 COT HN3T H . 0.000 COT H6T1 H . 0.000 COT H6T2 H . 0.000 COT H1P1 H . 0.000 COT H1P2 H . 0.000 COT H2P1 H . 0.000 COT H2P2 H . 0.000 COT HN3 H . 0.000 COT H6P1 H . 0.000 COT H6P2 H . 0.000 COT H7P1 H . 0.000 COT H7P2 H . 0.000 COT HN8 H . 0.000 COT H11P H . 0.000 COT HO12 H . 0.000 COT H141 H . 0.000 COT H142 H . 0.000 COT H143 H . 0.000 COT H151 H . 0.000 COT H152 H . 0.000 COT H153 H . 0.000 COT H161 H . 0.000 COT H162 H . 0.000 COT HOB H . 0.000 COT HOA H . 0.000 COT HC51 H . 0.000 COT HC52 H . 0.000 COT HC4 H . 0.000 COT HC3 H . 0.000 COT HC2 H . 0.000 COT HO2 H . 0.000 COT HC1 H . 0.000 COT HC8 H . 0.000 COT HN61 H . 0.000 COT HN62 H . 0.000 COT HCA2 H . 0.000 COT HOC1 H . 0.000 COT HOC2 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type COT C1T CGT single COT C1T C2T single COT C1T H1T1 single COT C1T H1T2 single COT CGT CD2T single COT CGT CD1T double COT CD2T CE2T double COT CD2T CE3T single COT CE2T NE1T single COT CE2T CZ2T single COT CE3T CZ3T double COT CE3T HE3 single COT CD1T NE1T single COT CD1T HD1 single COT NE1T HNE single COT CZ2T CH2T double COT CZ2T HZ2 single COT CZ3T CH2T single COT CZ3T HZ3 single COT CH2T HH2 single COT S C6T single COT S C1P single COT C6T C4T single COT C6T H6T1 single COT C6T H6T2 single COT C4T O5T double COT C4T N3T single COT N3T C2T single COT N3T HN3T single COT C2T H2T1 single COT C2T H2T2 single COT OPB3 PB single COT OPB3 C16P single COT PB OPB1 single COT PB OPB2 double COT PB OPA3 single COT OPB1 HOB single COT OPA3 PA single COT O3*A C3*A single COT O3*A PC single COT PA OPA2 double COT PA OPA1 single COT PA O5*A single COT OPA1 HOA single COT O5*A C5*A single COT C5*A C4*A single COT C5*A HC51 single COT C5*A HC52 single COT C4*A C3*A single COT C4*A O4*A single COT C4*A HC4 single COT C3*A C2*A single COT C3*A HC3 single COT O2*A C2*A single COT O2*A HO2 single COT O4*A C1*A single COT PC OPC1 single COT PC OPC2 single COT PC OPC3 double COT OPC1 HOC1 single COT OPC2 HOC2 single COT C2*A C1*A single COT C2*A HC2 single COT C1*A N9A single COT C1*A HC1 single COT N9A C8A single COT N9A C4A single COT C8A N7A double COT C8A HC8 single COT N7A C5A single COT C5A C6A single COT C5A C4A double COT C6A N6A single COT C6A N1A double COT N6A HN61 single COT N6A HN62 single COT N1A C2A single COT C2A N3A double COT C2A HCA2 single COT N3A C4A single COT N3P C4P single COT N3P C2P single COT N3P HN3 single COT C4P O5P double COT C4P C6P single COT C6P C7P single COT C6P H6P1 single COT C6P H6P2 single COT C7P N8P single COT C7P H7P1 single COT C7P H7P2 single COT N8P C9P single COT N8P HN8 single COT C9P O10P double COT C9P C11P single COT C11P O12P single COT C11P C13P single COT C11P H11P single COT O12P HO12 single COT C13P C16P single COT C13P C14P single COT C13P C15P single COT C16P H161 single COT C16P H162 single COT C14P H141 single COT C14P H142 single COT C14P H143 single COT C15P H151 single COT C15P H152 single COT C15P H153 single COT C2P C1P single COT C2P H2P1 single COT C2P H2P2 single COT C1P H1P1 single COT C1P H1P2 single