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
P2Y      P2Y '(2S)-PYRROLIDIN-2-YLMETHYLAMINE     ' non-polymer        19   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_P2Y
#
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
 P2Y           NA     N    NH2       0.000      0.000    0.000    0.000
 P2Y           HNA1   H    H         0.000      0.836   -0.571   -0.038
 P2Y           HNA2   H    H         0.000     -0.306    0.375    0.890
 P2Y           C      C    CH2       0.000     -0.762    0.282   -1.223
 P2Y           H1     H    H         0.000     -0.220   -0.111   -2.086
 P2Y           H2     H    H         0.000     -0.886    1.361   -1.333
 P2Y           CA     C    CH1       0.000     -2.136   -0.385   -1.134
 P2Y           HA     H    H         0.000     -2.027   -1.472   -1.011
 P2Y           CB     C    CH2       0.000     -2.969   -0.067   -2.393
 P2Y           HB2    H    H         0.000     -2.935   -0.886   -3.115
 P2Y           HB3    H    H         0.000     -2.637    0.855   -2.873
 P2Y           CG     C    CH2       0.000     -4.414    0.109   -1.882
 P2Y           HG3    H    H         0.000     -5.089   -0.627   -2.323
 P2Y           HG2    H    H         0.000     -4.791    1.114   -2.083
 P2Y           CD     C    CH2       0.000     -4.331   -0.115   -0.357
 P2Y           HD3    H    H         0.000     -4.560   -1.148   -0.087
 P2Y           HD2    H    H         0.000     -4.994    0.559    0.188
 P2Y           N      N    NH1       0.000     -2.917    0.187   -0.009
 P2Y           H      H    H         0.000     -2.569    0.671    0.806
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
 P2Y      NA     n/a    C      START
 P2Y      HNA1   NA     .      .
 P2Y      HNA2   NA     .      .
 P2Y      C      NA     CA     .
 P2Y      H1     C      .      .
 P2Y      H2     C      .      .
 P2Y      CA     C      CB     .
 P2Y      HA     CA     .      .
 P2Y      CB     CA     CG     .
 P2Y      HB2    CB     .      .
 P2Y      HB3    CB     .      .
 P2Y      CG     CB     CD     .
 P2Y      HG3    CG     .      .
 P2Y      HG2    CG     .      .
 P2Y      CD     CG     N      .
 P2Y      HD3    CD     .      .
 P2Y      HD2    CD     .      .
 P2Y      N      CD     H      .
 P2Y      H      N      .      END
 P2Y      CA     N      .    ADD
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
 P2Y      C      NA        single      1.450    0.020
 P2Y      HNA1   NA        single      1.010    0.020
 P2Y      HNA2   NA        single      1.010    0.020
 P2Y      CA     C         single      1.524    0.020
 P2Y      H1     C         single      1.092    0.020
 P2Y      H2     C         single      1.092    0.020
 P2Y      CA     N         single      1.450    0.020
 P2Y      CB     CA        single      1.524    0.020
 P2Y      HA     CA        single      1.099    0.020
 P2Y      N      CD        single      1.450    0.020
 P2Y      H      N         single      1.010    0.020
 P2Y      CD     CG        single      1.524    0.020
 P2Y      HD3    CD        single      1.092    0.020
 P2Y      HD2    CD        single      1.092    0.020
 P2Y      CG     CB        single      1.524    0.020
 P2Y      HG3    CG        single      1.092    0.020
 P2Y      HG2    CG        single      1.092    0.020
 P2Y      HB2    CB        single      1.092    0.020
 P2Y      HB3    CB        single      1.092    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
 P2Y      HNA1   NA     HNA2    120.000    3.000
 P2Y      HNA1   NA     C       120.000    3.000
 P2Y      HNA2   NA     C       120.000    3.000
 P2Y      NA     C      H1      109.470    3.000
 P2Y      NA     C      H2      109.470    3.000
 P2Y      NA     C      CA      109.470    3.000
 P2Y      H1     C      H2      107.900    3.000
 P2Y      H1     C      CA      109.470    3.000
 P2Y      H2     C      CA      109.470    3.000
 P2Y      C      CA     HA      108.340    3.000
 P2Y      C      CA     CB      109.470    3.000
 P2Y      C      CA     N       110.000    3.000
 P2Y      HA     CA     CB      108.340    3.000
 P2Y      HA     CA     N       108.550    3.000
 P2Y      CB     CA     N       110.000    3.000
 P2Y      CA     CB     HB2     109.470    3.000
 P2Y      CA     CB     HB3     109.470    3.000
 P2Y      CA     CB     CG      111.000    3.000
 P2Y      HB2    CB     HB3     107.900    3.000
 P2Y      HB2    CB     CG      109.470    3.000
 P2Y      HB3    CB     CG      109.470    3.000
 P2Y      CB     CG     HG3     109.470    3.000
 P2Y      CB     CG     HG2     109.470    3.000
 P2Y      CB     CG     CD      111.000    3.000
 P2Y      HG3    CG     HG2     107.900    3.000
 P2Y      HG3    CG     CD      109.470    3.000
 P2Y      HG2    CG     CD      109.470    3.000
 P2Y      CG     CD     HD3     109.470    3.000
 P2Y      CG     CD     HD2     109.470    3.000
 P2Y      CG     CD     N       112.000    3.000
 P2Y      HD3    CD     HD2     107.900    3.000
 P2Y      HD3    CD     N       109.470    3.000
 P2Y      HD2    CD     N       109.470    3.000
 P2Y      CD     N      H       118.500    3.000
 P2Y      CD     N      CA      120.000    3.000
 P2Y      H      N      CA      118.500    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
 P2Y      var_1    HNA2   NA     C      CA       -66.125   20.000   1
 P2Y      var_2    NA     C      CA     CB       178.354   20.000   3
 P2Y      var_3    C      CA     N      CD       150.000   20.000   3
 P2Y      var_4    C      CA     CB     CG      -150.000   20.000   3
 P2Y      var_5    CA     CB     CG     CD         0.000   20.000   3
 P2Y      var_6    CB     CG     CD     N         30.000   20.000   3
 P2Y      var_7    CG     CD     N      CA       -30.000   20.000   3
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 P2Y      chir_01  CA     C      N      CB        negativ
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
 P2Y      plan-1    NA        0.020
 P2Y      plan-1    C         0.020
 P2Y      plan-1    HNA1      0.020
 P2Y      plan-1    HNA2      0.020
 P2Y      plan-2    N         0.020
 P2Y      plan-2    CA        0.020
 P2Y      plan-2    CD        0.020
 P2Y      plan-2    H         0.020
# ------------------------------------------------------
