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
ORN	ORN	'.		'	non-polymer	21	9	.
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ORN
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
ORN           N     N   NT3       1      60.201     198.382      50.662
ORN          CA     C   CH1       0      59.056     198.271      49.746
ORN          CB     C   CH2       0      58.286     196.945      49.950
ORN          CG     C   CH2       0      57.660     196.795      51.348
ORN          CD     C   CH2       0      56.820     195.512      51.437
ORN          NE     N   N32       0      56.231     195.353      52.765
ORN           C     C     C       0      58.136     199.464      49.849
ORN           O     O     O       0      58.319     200.355      50.722
ORN         OXT     O    OC      -1      57.073     199.591      48.962
ORN           H     H     H       0      59.887     198.501      51.652
ORN          H2     H     H       0      60.799     197.526      50.592
ORN          H3     H     H       0      60.785     199.207      50.393
ORN          HA     H     H       0      59.451     198.260      48.706
ORN         HB2     H     H       0      57.486     196.877      49.181
ORN         HB3     H     H       0      58.981     196.095      49.772
ORN         HG2     H     H       0      58.462     196.748      52.114
ORN         HG3     H     H       0      57.009     197.669      51.566
ORN         HD2     H     H       0      56.004     195.544      50.682
ORN         HD3     H     H       0      57.459     194.629      51.217
ORN         HE1     H     H       0      56.999     195.326      53.474
ORN         HE2     H     H       0      55.636     196.188      52.972
loop_
_chem_comp_acedrg.comp_id
_chem_comp_acedrg.atom_id
_chem_comp_acedrg.atom_type
ORN         N    N(CCCH)(H)3
ORN        CA    C(CCHH)(NH3)(COO)(H)
ORN        CB    C(CCHH)(CCHN)(H)2
ORN        CG    C(CCHH)(CHHN)(H)2
ORN        CD    C(CCHH)(NHH)(H)2
ORN        NE    N(CCHH)(H)2
ORN         C    C(CCHN)(O)2
ORN         O    O(CCO)
ORN       OXT    O(CCO)
ORN         H    H(NCHH)
ORN        H2    H(NCHH)
ORN        H3    H(NCHH)
ORN        HA    H(CCCN)
ORN       HB2    H(CCCH)
ORN       HB3    H(CCCH)
ORN       HG2    H(CCCH)
ORN       HG3    H(CCCH)
ORN       HD2    H(CCHN)
ORN       HD3    H(CCHN)
ORN       HE1    H(NCH)
ORN       HE2    H(NCH)
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.aromatic
_chem_comp_bond.value_dist_nucleus
_chem_comp_bond.value_dist_nucleus_esd
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
ORN           N          CA      SINGLE       n     1.487  0.0100     1.487  0.0100
ORN          CA          CB      SINGLE       n     1.533  0.0100     1.533  0.0100
ORN          CA           C      SINGLE       n     1.538  0.0113     1.538  0.0113
ORN          CB          CG      SINGLE       n     1.522  0.0200     1.522  0.0200
ORN          CG          CD      SINGLE       n     1.513  0.0142     1.513  0.0142
ORN          CD          NE      SINGLE       n     1.467  0.0200     1.467  0.0200
ORN           C           O      DOUBLE       n     1.251  0.0183     1.251  0.0183
ORN           C         OXT      SINGLE       n     1.251  0.0183     1.251  0.0183
ORN           N           H      SINGLE       n     1.036  0.0160     0.902  0.0102
ORN           N          H2      SINGLE       n     1.036  0.0160     0.902  0.0102
ORN           N          H3      SINGLE       n     1.036  0.0160     0.902  0.0102
ORN          CA          HA      SINGLE       n     1.089  0.0100     0.991  0.0200
ORN          CB         HB2      SINGLE       n     1.089  0.0100     0.981  0.0141
ORN          CB         HB3      SINGLE       n     1.089  0.0100     0.981  0.0141
ORN          CG         HG2      SINGLE       n     1.089  0.0100     0.982  0.0163
ORN          CG         HG3      SINGLE       n     1.089  0.0100     0.982  0.0163
ORN          CD         HD2      SINGLE       n     1.089  0.0100     0.983  0.0200
ORN          CD         HD3      SINGLE       n     1.089  0.0100     0.983  0.0200
ORN          NE         HE1      SINGLE       n     1.036  0.0160     0.881  0.0200
ORN          NE         HE2      SINGLE       n     1.036  0.0160     0.881  0.0200
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
ORN          CA           N           H     109.990    3.00
ORN          CA           N          H2     109.990    3.00
ORN          CA           N          H3     109.990    3.00
ORN           H           N          H2     109.032    3.00
ORN           H           N          H3     109.032    3.00
ORN          H2           N          H3     109.032    3.00
ORN           N          CA          CB     110.440    2.46
ORN           N          CA           C     109.258    1.50
ORN           N          CA          HA     108.387    1.58
ORN          CB          CA           C     111.059    3.00
ORN          CB          CA          HA     109.080    2.33
ORN           C          CA          HA     108.774    1.79
ORN          CA          CB          CG     114.160    3.00
ORN          CA          CB         HB2     108.677    1.74
ORN          CA          CB         HB3     108.677    1.74
ORN          CG          CB         HB2     108.721    1.50
ORN          CG          CB         HB3     108.721    1.50
ORN         HB2          CB         HB3     107.655    1.50
ORN          CB          CG          CD     113.101    3.00
ORN          CB          CG         HG2     109.216    1.64
ORN          CB          CG         HG3     109.216    1.64
ORN          CD          CG         HG2     108.846    1.54
ORN          CD          CG         HG3     108.846    1.54
ORN         HG2          CG         HG3     107.958    2.23
ORN          CG          CD          NE     114.066    3.00
ORN          CG          CD         HD2     109.277    3.00
ORN          CG          CD         HD3     109.277    3.00
ORN          NE          CD         HD2     108.448    3.00
ORN          NE          CD         HD3     108.448    3.00
ORN         HD2          CD         HD3     107.705    3.00
ORN          CD          NE         HE1     109.340    3.00
ORN          CD          NE         HE2     109.340    3.00
ORN         HE1          NE         HE2     108.079    3.00
ORN          CA           C           O     117.148    1.60
ORN          CA           C         OXT     117.148    1.60
ORN           O           C         OXT     125.704    1.50
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
ORN                  chi1           N          CA          CB          CG      60.000    10.0     3
ORN                  chi2          CA          CB          CG          CD     180.000    10.0     3
ORN                  chi3          CB          CG          CD          NE     180.000    10.0     3
ORN             sp3_sp3_1          CB          CA           N           H     180.000    10.0     3
ORN            sp3_sp3_37          CG          CD          NE         HE1     180.000    10.0     3
ORN             sp2_sp3_1           O           C          CA           N       0.000    10.0     6
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
ORN    chir_1    CA    N    C    CB    positive
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
ORN    plan-1           C   0.020
ORN    plan-1          CA   0.020
ORN    plan-1           O   0.020
ORN    plan-1         OXT   0.020
