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
LGA      LGA 'PYRIMIDIN-2-AMINE                   ' non-polymer        12   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LGA
#
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
 LGA           N2     N    NH2       0.000      0.000    0.000    0.000
 LGA           H2N1   H    H         0.000     -0.150   -0.902    0.418
 LGA           H2N2   H    H         0.000     -0.415    0.827    0.393
 LGA           C1     C    CR6       0.000      0.758    0.100   -1.088
 LGA           N7     N    NRD6      0.000      0.324    0.933   -2.076
 LGA           C3     C    CR16      0.000      1.112    1.031   -3.145
 LGA           H3     H    H         0.000      0.822    1.694   -3.951
 LGA           C5     C    CR16      0.000      2.282    0.319   -3.257
 LGA           H5     H    H         0.000      2.906    0.410   -4.137
 LGA           C4     C    CR16      0.000      2.640   -0.512   -2.223
 LGA           H4     H    H         0.000      3.556   -1.084   -2.304
 LGA           N1     N    NRD6      0.000      1.895   -0.637   -1.123
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
 LGA      N2     n/a    C1     START
 LGA      H2N1   N2     .      .
 LGA      H2N2   N2     .      .
 LGA      C1     N2     N7     .
 LGA      N7     C1     C3     .
 LGA      C3     N7     C5     .
 LGA      H3     C3     .      .
 LGA      C5     C3     C4     .
 LGA      H5     C5     .      .
 LGA      C4     C5     N1     .
 LGA      H4     C4     .      .
 LGA      N1     C4     .      END
 LGA      C1     N1     .    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
 LGA      C1     N2        single      1.355    0.020
 LGA      C1     N1        single      1.350    0.020
 LGA      N7     C1        double      1.350    0.020
 LGA      N1     C4        double      1.337    0.020
 LGA      C4     C5        single      1.390    0.020
 LGA      C5     C3        double      1.390    0.020
 LGA      C3     N7        single      1.337    0.020
 LGA      H2N1   N2        single      1.010    0.020
 LGA      H2N2   N2        single      1.010    0.020
 LGA      H4     C4        single      1.083    0.020
 LGA      H5     C5        single      1.083    0.020
 LGA      H3     C3        single      1.083    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
 LGA      H2N1   N2     H2N2    120.000    3.000
 LGA      H2N1   N2     C1      120.000    3.000
 LGA      H2N2   N2     C1      120.000    3.000
 LGA      N2     C1     N7      120.000    3.000
 LGA      N2     C1     N1      120.000    3.000
 LGA      N7     C1     N1      120.000    3.000
 LGA      C1     N7     C3      120.000    3.000
 LGA      N7     C3     H3      120.000    3.000
 LGA      N7     C3     C5      120.000    3.000
 LGA      H3     C3     C5      120.000    3.000
 LGA      C3     C5     H5      120.000    3.000
 LGA      C3     C5     C4      120.000    3.000
 LGA      H5     C5     C4      120.000    3.000
 LGA      C5     C4     H4      120.000    3.000
 LGA      C5     C4     N1      120.000    3.000
 LGA      H4     C4     N1      120.000    3.000
 LGA      C4     N1     C1      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
 LGA      CONST_1  H2N2   N2     C1     N7       -41.876    0.000   0
 LGA      CONST_2  N2     C1     N1     C4       180.000    0.000   0
 LGA      CONST_3  N2     C1     N7     C3       180.000    0.000   0
 LGA      CONST_4  C1     N7     C3     C5         0.000    0.000   0
 LGA      CONST_5  N7     C3     C5     C4         0.000    0.000   0
 LGA      CONST_6  C3     C5     C4     N1         0.000    0.000   0
 LGA      CONST_7  C5     C4     N1     C1         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
 LGA      plan-1    N2        0.020
 LGA      plan-1    C1        0.020
 LGA      plan-1    H2N1      0.020
 LGA      plan-1    H2N2      0.020
 LGA      plan-2    C1        0.020
 LGA      plan-2    N2        0.020
 LGA      plan-2    N1        0.020
 LGA      plan-2    N7        0.020
 LGA      plan-2    C4        0.020
 LGA      plan-2    C5        0.020
 LGA      plan-2    C3        0.020
 LGA      plan-2    H4        0.020
 LGA      plan-2    H5        0.020
 LGA      plan-2    H3        0.020
 LGA      plan-2    H2N1      0.020
 LGA      plan-2    H2N2      0.020
# ------------------------------------------------------
