diff --git a/building-protein-ligand/BEN.cif b/building-protein-ligand/BEN.cif index c680b49..d7925d4 100644 --- a/building-protein-ligand/BEN.cif +++ b/building-protein-ligand/BEN.cif @@ -3,7 +3,7 @@ data_BEN # _chem_comp.id BEN _chem_comp.type NON-POLYMER -_chem_comp.pdbx_formal_charge 0 +_chem_comp.pdbx_formal_charge 1 ## loop_ _chem_comp_atom.comp_id @@ -26,7 +26,7 @@ BEN C5 ca C 0 -0.116 -1.280 14.294 19.039 -1.280 14.294 19.039 BEN C6 ca C 0 -0.082 -1.598 13.607 17.856 -1.598 13.607 17.856 BEN C7 ce C 0 0.5224 -2.162 13.587 15.396 -2.162 13.587 15.396 BEN N1 nv N 0 -0.4611 -3.031 14.182 14.483 -3.031 14.182 14.483 -BEN N2 nv N 0 -0.4611 -1.605 12.330 15.167 -1.605 12.330 15.167 +BEN N2 nv N 1 -0.4611 -1.605 12.330 15.167 -1.605 12.330 15.167 BEN H1 ha H 0 0.149 -1.867 16.298 15.754 -1.867 16.298 15.754 BEN H2 ha H 0 0.17 -1.309 17.489 17.846 -1.309 17.489 17.846 BEN H3 ha H 0 0.17 -0.928 16.222 19.952 -0.928 16.222 19.952