data_D10
# 
_chem_comp.id                                    D10 
_chem_comp.name                                  DECANE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C10 H22" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-11-15 
_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                        142.282 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     D10 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1N6D 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
D10 C1   C1   C 0 1 N N N -34.443 -14.283 -13.706 -0.307 0.000  5.630  C1   D10 1  
D10 C2   C2   C 0 1 N N N -35.855 -14.832 -13.435 0.546  0.000  4.360  C2   D10 2  
D10 C3   C3   C 0 1 N N N -35.614 -15.433 -12.024 -0.366 0.000  3.132  C3   D10 3  
D10 C4   C4   C 0 1 N N N -36.471 -16.670 -11.689 0.486  0.000  1.862  C4   D10 4  
D10 C5   C5   C 0 1 N N N -35.767 -17.503 -10.600 -0.426 0.000  0.635  C5   D10 5  
D10 C6   C6   C 0 1 N N N -36.631 -18.732 -10.257 0.426  0.000  -0.635 C6   D10 6  
D10 C7   C7   C 0 1 N N N -38.120 -18.356 -10.353 -0.486 0.000  -1.862 C7   D10 7  
D10 C8   C8   C 0 1 N N N -38.784 -18.521 -8.972  0.366  0.000  -3.132 C8   D10 8  
D10 C9   C9   C 0 1 N N N -40.315 -18.555 -9.137  -0.546 0.000  -4.360 C9   D10 9  
D10 C10  C10  C 0 1 N N N -40.984 -18.486 -7.752  0.307  0.000  -5.630 C10  D10 10 
D10 H11  1H1  H 0 1 N N N -34.616 -13.851 -14.719 0.343  0.000  6.505  H11  D10 11 
D10 H12  2H1  H 0 1 N N N -34.027 -13.589 -12.938 -0.936 0.890  5.645  H12  D10 12 
D10 H13  3H1  H 0 1 N N N -33.604 -15.012 -13.617 -0.936 -0.890 5.645  H13  D10 13 
D10 H21  1H2  H 0 1 N N N -36.693 -14.102 -13.523 1.175  0.890  4.345  H21  D10 14 
D10 H22  2H2  H 0 1 N N N -36.270 -15.526 -14.202 1.175  -0.890 4.345  H22  D10 15 
D10 H31  1H3  H 0 1 N N N -34.532 -15.664 -11.883 -0.996 -0.890 3.147  H31  D10 16 
D10 H32  2H3  H 0 1 N N N -35.748 -14.648 -11.243 -0.996 0.890  3.147  H32  D10 17 
D10 H41  1H4  H 0 1 N N N -37.512 -16.395 -11.402 1.115  0.890  1.847  H41  D10 18 
D10 H42  2H4  H 0 1 N N N -36.709 -17.275 -12.594 1.115  -0.890 1.847  H42  D10 19 
D10 H51  1H5  H 0 1 N N N -34.728 -17.785 -10.890 -1.055 -0.890 0.650  H51  D10 20 
D10 H52  2H5  H 0 1 N N N -35.520 -16.895 -9.698  -1.055 0.890  0.650  H52  D10 21 
D10 H61  1H6  H 0 1 N N N -36.377 -19.614 -10.889 1.055  0.890  -0.650 H61  D10 22 
D10 H62  2H6  H 0 1 N N N -36.369 -19.166 -9.264  1.055  -0.890 -0.650 H62  D10 23 
D10 H71  1H7  H 0 1 N N N -38.269 -17.333 -10.772 -1.115 -0.890 -1.847 H71  D10 24 
D10 H72  2H7  H 0 1 N N N -38.649 -18.933 -11.146 -1.115 0.890  -1.847 H72  D10 25 
D10 H81  1H8  H 0 1 N N N -38.399 -19.412 -8.424  0.996  0.890  -3.147 H81  D10 26 
D10 H82  2H8  H 0 1 N N N -38.455 -17.736 -8.250  0.996  -0.890 -3.147 H82  D10 27 
D10 H91  1H9  H 0 1 N N N -40.682 -17.755 -9.822  -1.175 -0.890 -4.345 H91  D10 28 
D10 H92  2H9  H 0 1 N N N -40.655 -19.438 -9.725  -1.175 0.890  -4.345 H92  D10 29 
D10 H101 1H10 H 0 0 N N N -42.092 -18.510 -7.871  -0.343 0.000  -6.505 H101 D10 30 
D10 H102 2H10 H 0 0 N N N -40.616 -19.285 -7.066  0.936  0.890  -5.645 H102 D10 31 
D10 H103 3H10 H 0 0 N N N -40.643 -17.602 -7.163  0.936  -0.890 -5.645 H103 D10 32 
# 
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 
D10 C1  C2   SING N N 1  
D10 C1  H11  SING N N 2  
D10 C1  H12  SING N N 3  
D10 C1  H13  SING N N 4  
D10 C2  C3   SING N N 5  
D10 C2  H21  SING N N 6  
D10 C2  H22  SING N N 7  
D10 C3  C4   SING N N 8  
D10 C3  H31  SING N N 9  
D10 C3  H32  SING N N 10 
D10 C4  C5   SING N N 11 
D10 C4  H41  SING N N 12 
D10 C4  H42  SING N N 13 
D10 C5  C6   SING N N 14 
D10 C5  H51  SING N N 15 
D10 C5  H52  SING N N 16 
D10 C6  C7   SING N N 17 
D10 C6  H61  SING N N 18 
D10 C6  H62  SING N N 19 
D10 C7  C8   SING N N 20 
D10 C7  H71  SING N N 21 
D10 C7  H72  SING N N 22 
D10 C8  C9   SING N N 23 
D10 C8  H81  SING N N 24 
D10 C8  H82  SING N N 25 
D10 C9  C10  SING N N 26 
D10 C9  H91  SING N N 27 
D10 C9  H92  SING N N 28 
D10 C10 H101 SING N N 29 
D10 C10 H102 SING N N 30 
D10 C10 H103 SING N N 31 
# 
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 
D10 SMILES           ACDLabs              10.04 C(CCCCCCCC)C                                       
D10 InChI            InChI                1.02b InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3 
D10 InChIKey         InChI                1.02b DIOQZVSQGTUSAI-UHFFFAOYAR                          
D10 SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCC                                         
D10 SMILES           CACTVS               3.341 CCCCCCCCCC                                         
D10 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCC                                         
D10 SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCC                                         
# 
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 
D10 "SYSTEMATIC NAME" ACDLabs              10.04 decane 
D10 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 decane 
# 
