global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
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
13D      13D '1,3-DIAMINOPROPANE                  ' non-polymer        15   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_13D
#
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
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 13D           NAA    N    NH2       0.000      0.000    0.000    0.000
 13D           HAA1   H    H         0.000      0.615    0.053   -0.804
 13D           HAA2   H    H         0.000      0.274   -0.560    0.799
 13D           CA     C    CH2       0.000     -1.276    0.728    0.006
 13D           HAC1   H    H         0.000     -1.340    1.356   -0.885
 13D           HAC2   H    H         0.000     -1.331    1.357    0.898
 13D           CB     C    CH2       0.000     -2.434   -0.272    0.013
 13D           HBC1   H    H         0.000     -2.367   -0.899    0.904
 13D           HBC2   H    H         0.000     -2.376   -0.900   -0.878
 13D           CC     C    CH2       0.000     -3.762    0.486    0.020
 13D           HCC1   H    H         0.000     -3.827    1.114   -0.871
 13D           HCC2   H    H         0.000     -3.817    1.115    0.911
 13D           ND     N    NH2       0.000     -4.874   -0.473    0.026
 13D           HDN2   H    H         0.000     -4.689   -1.470    0.025
 13D           HDN1   H    H         0.000     -5.833   -0.146    0.031
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 13D      NAA    n/a    CA     START
 13D      HAA1   NAA    .      .
 13D      HAA2   NAA    .      .
 13D      CA     NAA    CB     .
 13D      HAC1   CA     .      .
 13D      HAC2   CA     .      .
 13D      CB     CA     CC     .
 13D      HBC1   CB     .      .
 13D      HBC2   CB     .      .
 13D      CC     CB     ND     .
 13D      HCC1   CC     .      .
 13D      HCC2   CC     .      .
 13D      ND     CC     HDN1   .
 13D      HDN2   ND     .      .
 13D      HDN1   ND     .      END
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 13D      CB     CA        single      1.524    0.020
 13D      CA     NAA       single      1.450    0.020
 13D      HAC1   CA        single      1.092    0.020
 13D      HAC2   CA        single      1.092    0.020
 13D      CC     CB        single      1.524    0.020
 13D      HBC1   CB        single      1.092    0.020
 13D      HBC2   CB        single      1.092    0.020
 13D      ND     CC        single      1.450    0.020
 13D      HCC1   CC        single      1.092    0.020
 13D      HCC2   CC        single      1.092    0.020
 13D      HDN1   ND        single      1.010    0.020
 13D      HDN2   ND        single      1.010    0.020
 13D      HAA1   NAA       single      1.010    0.020
 13D      HAA2   NAA       single      1.010    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 13D      HAA1   NAA    HAA2    120.000    3.000
 13D      HAA1   NAA    CA      120.000    3.000
 13D      HAA2   NAA    CA      120.000    3.000
 13D      NAA    CA     HAC1    109.470    3.000
 13D      NAA    CA     HAC2    109.470    3.000
 13D      NAA    CA     CB      109.470    3.000
 13D      HAC1   CA     HAC2    107.900    3.000
 13D      HAC1   CA     CB      109.470    3.000
 13D      HAC2   CA     CB      109.470    3.000
 13D      CA     CB     HBC1    109.470    3.000
 13D      CA     CB     HBC2    109.470    3.000
 13D      CA     CB     CC      111.000    3.000
 13D      HBC1   CB     HBC2    107.900    3.000
 13D      HBC1   CB     CC      109.470    3.000
 13D      HBC2   CB     CC      109.470    3.000
 13D      CB     CC     HCC1    109.470    3.000
 13D      CB     CC     HCC2    109.470    3.000
 13D      CB     CC     ND      109.470    3.000
 13D      HCC1   CC     HCC2    107.900    3.000
 13D      HCC1   CC     ND      109.470    3.000
 13D      HCC2   CC     ND      109.470    3.000
 13D      CC     ND     HDN2    120.000    3.000
 13D      CC     ND     HDN1    120.000    3.000
 13D      HDN2   ND     HDN1    120.000    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 13D      var_1    HAA2   NAA    CA     CB       -66.199   20.000   1
 13D      var_2    NAA    CA     CB     CC       179.997   20.000   3
 13D      var_3    CA     CB     CC     ND       179.997   20.000   3
 13D      var_4    CB     CC     ND     HDN1     179.979   20.000   1
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 13D      plan-1    ND        0.020
 13D      plan-1    CC        0.020
 13D      plan-1    HDN1      0.020
 13D      plan-1    HDN2      0.020
 13D      plan-2    NAA       0.020
 13D      plan-2    CA        0.020
 13D      plan-2    HAA1      0.020
 13D      plan-2    HAA2      0.020
# ------------------------------------------------------
