data_DAZ
# 
_chem_comp.id                                    DAZ 
_chem_comp.name                                  diaminozinc 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H4 N2 Zn" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2007-10-03 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        97.454 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     DAZ 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        2Z9L 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
DAZ ZN  ZN  ZN 0 0 N N N 33.473 -26.587 -7.968 -0.000 -0.000 -0.016 ZN  DAZ 1 
DAZ N1  N1  N  0 1 N N N 34.710 -25.106 -8.201 1.790  -0.030 -0.016 N1  DAZ 2 
DAZ N2  N2  N  0 1 N N N 33.963 -27.502 -6.297 -1.790 0.030  -0.016 N2  DAZ 3 
DAZ H11 H11 H  0 1 N N N 34.922 -24.705 -7.310 2.167  0.905  -0.016 H11 DAZ 4 
DAZ H12 H12 H  0 1 N N N 35.552 -25.439 -8.626 2.142  -0.563 0.765  H12 DAZ 5 
DAZ H21 H21 H  0 1 N N N 34.046 -28.484 -6.466 -2.167 -0.905 -0.016 H21 DAZ 6 
DAZ H22 H22 H  0 1 N N N 34.837 -27.146 -5.966 -2.142 0.563  0.765  H22 DAZ 7 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
DAZ ZN N1  SING N N 1 
DAZ ZN N2  SING N N 2 
DAZ N1 H11 SING N N 3 
DAZ N1 H12 SING N N 4 
DAZ N2 H21 SING N N 5 
DAZ N2 H22 SING N N 6 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
DAZ SMILES           ACDLabs              10.04 [Zn](N)N                                               
DAZ InChI            InChI                1.02b InChI=1/2H2N.Zn/h2*1H2;/q2*-1;+2/rH4N2Zn/c1-3-2/h1-2H2 
DAZ InChIKey         InChI                1.02b PQJFBJISJZGASZ-LVLAKCROAP                              
DAZ SMILES_CANONICAL CACTVS               3.341 N[Zn]N                                                 
DAZ SMILES           CACTVS               3.341 N[Zn]N                                                 
DAZ SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 N[Zn]N                                                 
DAZ SMILES           "OpenEye OEToolkits" 1.5.0 N[Zn]N                                                 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
DAZ "SYSTEMATIC NAME" ACDLabs              10.04 "zinc diazanide" 
DAZ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 diaminozinc      
# 
