# 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 NMX NMX 'NITROMETHYLDETHIA COENZYME A ' non-polymer 88 51 M # data_comp_NMX # 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 NMX AN1 N . 0.000 NMX AC2 C . 0.000 NMX AN3 N . 0.000 NMX AC4 C . 0.000 NMX AC5 C . 0.000 NMX AC6 C . 0.000 NMX AN6 N . 0.000 NMX AN7 N . 0.000 NMX AC8 C . 0.000 NMX AN9 N . 0.000 NMX AC1* C . 0.000 NMX AC2* C . 0.000 NMX AO2* O . 0.000 NMX AC3* C . 0.000 NMX AO3* O . 0.000 NMX AP3* P . 0.000 NMX AO7 O . 0.000 NMX AO8 O . 0.000 NMX AO9 O . 0.000 NMX AC4* C . 0.000 NMX AO4* O . 0.000 NMX AC5* C . 0.000 NMX AO5* O . 0.000 NMX AP1 P . 0.000 NMX AO1 O . 0.000 NMX AO2 O . 0.000 NMX AO3 O . 0.000 NMX AP2 P . 0.000 NMX AO4 O . 0.000 NMX AO5 O . 0.000 NMX AO6 O . 0.000 NMX PC11 C . 0.000 NMX PC12 C . 0.000 NMX PC13 C . 0.000 NMX PC14 C . 0.000 NMX PC10 C . 0.000 NMX PO10 O . 0.000 NMX PC9 C . 0.000 NMX PO9 O . 0.000 NMX PN8 N . 0.000 NMX PC7 C . 0.000 NMX PC6 C . 0.000 NMX PC5 C . 0.000 NMX PO5 O . 0.000 NMX PN4 N . 0.000 NMX PC3 C . 0.000 NMX PC2 C . 0.000 NMX IC1 C . 0.000 NMX IN1 N . 0.000 NMX IO1 O . 0.000 NMX IO2 O . 0.000 NMX AH2 H . 0.000 NMX AH61 H . 0.000 NMX AH62 H . 0.000 NMX AH8 H . 0.000 NMX AH1* H . 0.000 NMX AH2* H . 0.000 NMX AHO2 H . 0.000 NMX AH3* H . 0.000 NMX HOA8 H . 0.000 NMX HOA9 H . 0.000 NMX AH4* H . 0.000 NMX AH51 H . 0.000 NMX AH52 H . 0.000 NMX HOA2 H . 0.000 NMX HOA5 H . 0.000 NMX H121 H . 0.000 NMX H122 H . 0.000 NMX H131 H . 0.000 NMX H132 H . 0.000 NMX H133 H . 0.000 NMX H141 H . 0.000 NMX H142 H . 0.000 NMX H143 H . 0.000 NMX H10 H . 0.000 NMX HO1 H . 0.000 NMX HN8 H . 0.000 NMX H71 H . 0.000 NMX H72 H . 0.000 NMX H61 H . 0.000 NMX H62 H . 0.000 NMX HN4 H . 0.000 NMX H31 H . 0.000 NMX H32 H . 0.000 NMX H21 H . 0.000 NMX H22 H . 0.000 NMX HI11 H . 0.000 NMX HI12 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 NMX AN1 AC2 single NMX AN1 AC6 double NMX AC2 AN3 double NMX AC2 AH2 single NMX AN3 AC4 single NMX AC4 AC5 double NMX AC4 AN9 single NMX AC5 AC6 single NMX AC5 AN7 single NMX AC6 AN6 single NMX AN6 AH61 single NMX AN6 AH62 single NMX AN7 AC8 double NMX AC8 AN9 single NMX AC8 AH8 single NMX AN9 AC1* single NMX AC1* AC2* single NMX AC1* AO4* single NMX AC1* AH1* single NMX AC2* AC3* single NMX AC2* AO2* single NMX AC2* AH2* single NMX AO2* AHO2 single NMX AC3* AC4* single NMX AC3* AO3* single NMX AC3* AH3* single NMX AO3* AP3* single NMX AP3* AO7 double NMX AP3* AO8 single NMX AP3* AO9 single NMX AO8 HOA8 single NMX AO9 HOA9 single NMX AC4* AC5* single NMX AC4* AO4* single NMX AC4* AH4* single NMX AC5* AO5* single NMX AC5* AH51 single NMX AC5* AH52 single NMX AO5* AP1 single NMX AP1 AO1 double NMX AP1 AO2 single NMX AP1 AO3 single NMX AO2 HOA2 single NMX AO3 AP2 single NMX AP2 AO4 double NMX AP2 AO5 single NMX AP2 AO6 single NMX AO5 HOA5 single NMX AO6 PC12 single NMX PC11 PC10 single NMX PC11 PC12 single NMX PC11 PC13 single NMX PC11 PC14 single NMX PC12 H121 single NMX PC12 H122 single NMX PC13 H131 single NMX PC13 H132 single NMX PC13 H133 single NMX PC14 H141 single NMX PC14 H142 single NMX PC14 H143 single NMX PC10 PC9 single NMX PC10 PO10 single NMX PC10 H10 single NMX PO10 HO1 single NMX PC9 PO9 double NMX PC9 PN8 single NMX PN8 PC7 single NMX PN8 HN8 single NMX PC7 PC6 single NMX PC7 H71 single NMX PC7 H72 single NMX PC6 PC5 single NMX PC6 H61 single NMX PC6 H62 single NMX PC5 PN4 single NMX PC5 PO5 double NMX PN4 PC3 single NMX PN4 HN4 single NMX PC3 PC2 single NMX PC3 H31 single NMX PC3 H32 single NMX PC2 IC1 single NMX PC2 H21 single NMX PC2 H22 single NMX IC1 IN1 single NMX IC1 HI11 single NMX IC1 HI12 single NMX IN1 IO1 double NMX IN1 IO2 double