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
NSP      NSP '5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-' non-polymer        20  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NSP
#
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
 NSP           NQ2    N    NH2       0.000      0.000    0.000    0.000
 NSP           HQ21   H    H         0.000      0.532    0.006   -0.865
 NSP           HQ22   H    H         0.000      0.501   -0.007    0.884
 NSP           CQ2    C    CR6       0.000     -1.385    0.001   -0.025
 NSP           CP     C    CR6       0.000     -2.115   -0.006    1.165
 NSP           CA     C    CH2       0.000     -1.416   -0.017    2.501
 NSP           HCA1   H    H         0.000     -0.789    0.872    2.590
 NSP           HCA2   H    H         0.000     -0.792   -0.910    2.576
 NSP           N      N    NH2       0.000     -2.416   -0.024    3.577
 NSP           HN2    H    H         0.000     -3.405   -0.021    3.356
 NSP           HN1    H    H         0.000     -2.124   -0.032    4.547
 NSP           NR2    N    NRD6      0.000     -2.040    0.005   -1.181
 NSP           CS     C    CR6       0.000     -3.357    0.013   -1.208
 NSP           CS1    C    CH3       0.000     -4.062    0.023   -2.540
 NSP           HS13   H    H         0.000     -3.464   -0.471   -3.261
 NSP           HS12   H    H         0.000     -4.992   -0.476   -2.451
 NSP           HS11   H    H         0.000     -4.227    1.024   -2.845
 NSP           NR1    N    NRD6      0.000     -4.075    0.005   -0.103
 NSP           CQ1    C    CR16      0.000     -3.493   -0.004    1.087
 NSP           HQ1    H    H         0.000     -4.093   -0.009    1.989
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
 NSP      NQ2    n/a    CQ2    START
 NSP      HQ21   NQ2    .      .
 NSP      HQ22   NQ2    .      .
 NSP      CQ2    NQ2    NR2    .
 NSP      CP     CQ2    CA     .
 NSP      CA     CP     N      .
 NSP      HCA1   CA     .      .
 NSP      HCA2   CA     .      .
 NSP      N      CA     HN1    .
 NSP      HN2    N      .      .
 NSP      HN1    N      .      .
 NSP      NR2    CQ2    CS     .
 NSP      CS     NR2    NR1    .
 NSP      CS1    CS     HS11   .
 NSP      HS13   CS1    .      .
 NSP      HS12   CS1    .      .
 NSP      HS11   CS1    .      .
 NSP      NR1    CS     CQ1    .
 NSP      CQ1    NR1    HQ1    .
 NSP      HQ1    CQ1    .      END
 NSP      CP     CQ1    .    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
 NSP      N      CA        single      1.450    0.020
 NSP      HN1    N         single      1.010    0.020
 NSP      HN2    N         single      1.010    0.020
 NSP      CA     CP        single      1.511    0.020
 NSP      HCA1   CA        single      1.092    0.020
 NSP      HCA2   CA        single      1.092    0.020
 NSP      CP     CQ1       double      1.390    0.020
 NSP      CP     CQ2       single      1.487    0.020
 NSP      CQ1    NR1       single      1.337    0.020
 NSP      HQ1    CQ1       single      1.083    0.020
 NSP      CQ2    NQ2       single      1.355    0.020
 NSP      NR2    CQ2       double      1.350    0.020
 NSP      NR1    CS        double      1.350    0.020
 NSP      HQ21   NQ2       single      1.010    0.020
 NSP      HQ22   NQ2       single      1.010    0.020
 NSP      CS     NR2       single      1.350    0.020
 NSP      CS1    CS        single      1.506    0.020
 NSP      HS11   CS1       single      1.059    0.020
 NSP      HS12   CS1       single      1.059    0.020
 NSP      HS13   CS1       single      1.059    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
 NSP      HQ21   NQ2    HQ22    120.000    3.000
 NSP      HQ21   NQ2    CQ2     120.000    3.000
 NSP      HQ22   NQ2    CQ2     120.000    3.000
 NSP      NQ2    CQ2    CP      120.000    3.000
 NSP      NQ2    CQ2    NR2     120.000    3.000
 NSP      CP     CQ2    NR2     120.000    3.000
 NSP      CQ2    CP     CA      120.000    3.000
 NSP      CQ2    CP     CQ1     120.000    3.000
 NSP      CA     CP     CQ1     120.000    3.000
 NSP      CP     CA     HCA1    109.470    3.000
 NSP      CP     CA     HCA2    109.470    3.000
 NSP      CP     CA     N       109.500    3.000
 NSP      HCA1   CA     HCA2    107.900    3.000
 NSP      HCA1   CA     N       109.470    3.000
 NSP      HCA2   CA     N       109.470    3.000
 NSP      CA     N      HN2     120.000    3.000
 NSP      CA     N      HN1     120.000    3.000
 NSP      HN2    N      HN1     120.000    3.000
 NSP      CQ2    NR2    CS      120.000    3.000
 NSP      NR2    CS     CS1     120.000    3.000
 NSP      NR2    CS     NR1     120.000    3.000
 NSP      CS1    CS     NR1     120.000    3.000
 NSP      CS     CS1    HS13    109.470    3.000
 NSP      CS     CS1    HS12    109.470    3.000
 NSP      CS     CS1    HS11    109.470    3.000
 NSP      HS13   CS1    HS12    109.470    3.000
 NSP      HS13   CS1    HS11    109.470    3.000
 NSP      HS12   CS1    HS11    109.470    3.000
 NSP      CS     NR1    CQ1     120.000    3.000
 NSP      NR1    CQ1    HQ1     120.000    3.000
 NSP      NR1    CQ1    CP      120.000    3.000
 NSP      HQ1    CQ1    CP      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
 NSP      CONST_1  HQ22   NQ2    CQ2    NR2     -179.730    0.000   0
 NSP      CONST_2  NQ2    CQ2    CP     CA         0.000    0.000   0
 NSP      CONST_3  CQ2    CP     CQ1    NR1        0.000    0.000   0
 NSP      var_1    CQ2    CP     CA     N       -179.971   20.000   2
 NSP      var_2    CP     CA     N      HN1     -179.983   20.000   1
 NSP      CONST_4  NQ2    CQ2    NR2    CS       180.000    0.000   0
 NSP      CONST_5  CQ2    NR2    CS     NR1        0.000    0.000   0
 NSP      var_3    NR2    CS     CS1    HS11     -90.300   20.000   1
 NSP      CONST_6  NR2    CS     NR1    CQ1        0.000    0.000   0
 NSP      CONST_7  CS     NR1    CQ1    CP         0.000    0.000   0
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
 NSP      plan-1    N         0.020
 NSP      plan-1    CA        0.020
 NSP      plan-1    HN1       0.020
 NSP      plan-1    HN2       0.020
 NSP      plan-2    CP        0.020
 NSP      plan-2    CA        0.020
 NSP      plan-2    CQ1       0.020
 NSP      plan-2    CQ2       0.020
 NSP      plan-2    NR1       0.020
 NSP      plan-2    NR2       0.020
 NSP      plan-2    CS        0.020
 NSP      plan-2    HQ1       0.020
 NSP      plan-2    NQ2       0.020
 NSP      plan-2    CS1       0.020
 NSP      plan-2    HQ21      0.020
 NSP      plan-2    HQ22      0.020
 NSP      plan-3    NQ2       0.020
 NSP      plan-3    CQ2       0.020
 NSP      plan-3    HQ21      0.020
 NSP      plan-3    HQ22      0.020
# ------------------------------------------------------
