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
GSN      GSN '2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBA' non-polymer        36  22 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GSN
#
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
 GSN           OAT    O    OC       -0.500      0.000    0.000    0.000
 GSN           CAS    C    C         0.000     -0.147    0.984   -0.758
 GSN           OAU    O    OC       -0.500      0.856    1.580   -1.210
 GSN           CAR    C    CH2       0.000     -1.532    1.450   -1.127
 GSN           HAR1   H    H         0.000     -1.657    1.395   -2.211
 GSN           HAR2   H    H         0.000     -1.668    2.482   -0.798
 GSN           NAQ    N    NH1       0.000     -2.525    0.594   -0.476
 GSN           HAQ    H    H         0.000     -2.225   -0.170    0.113
 GSN           CAO    C    C         0.000     -3.840    0.824   -0.663
 GSN           OAP    O    O         0.000     -4.200    1.741   -1.371
 GSN           CAK    C    CH1       0.000     -4.863   -0.057    0.006
 GSN           HAK    H    H         0.000     -4.737   -0.001    1.096
 GSN           CAL    C    CH2       0.000     -4.671   -1.503   -0.456
 GSN           HAL1   H    H         0.000     -3.668   -1.840   -0.189
 GSN           HAL2   H    H         0.000     -4.796   -1.558   -1.539
 GSN           SAM    S    S2        0.000     -5.900   -2.561    0.349
 GSN           NAN    N    N         0.000     -7.172   -2.168   -0.465
 GSN           OAV    O    O         0.000     -8.243   -2.688   -0.209
 GSN           NAJ    N    NH1       0.000     -6.209    0.397   -0.353
 GSN           HAJ    H    H         0.000     -6.358    0.907   -1.212
 GSN           CAH    C    C         0.000     -7.248    0.134    0.464
 GSN           OAI    O    O         0.000     -7.070   -0.477    1.495
 GSN           CAG    C    CH2       0.000     -8.633    0.601    0.094
 GSN           HAG1   H    H         0.000     -8.925    0.154   -0.859
 GSN           HAG2   H    H         0.000     -8.637    1.689    0.001
 GSN           CB     C    CH2       0.000     -9.622    0.176    1.182
 GSN           HB1    H    H         0.000     -9.329    0.623    2.134
 GSN           HB2    H    H         0.000     -9.616   -0.912    1.274
 GSN           CA     C    CH1       0.000    -11.027    0.650    0.806
 GSN           HA     H    H         0.000    -11.286    0.272   -0.193
 GSN           N      N    NH2       0.000    -11.064    2.118    0.799
 GSN           HN2    H    H         0.000    -10.212    2.652    0.930
 GSN           HN1    H    H         0.000    -11.941    2.608    0.664
 GSN           C      C    C         0.000    -12.019    0.128    1.814
 GSN           OXT    O    OC       -0.500    -12.574    0.915    2.612
 GSN           O      O    OC       -0.500    -12.287   -1.093    1.853
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
 GSN      OAT    n/a    CAS    START
 GSN      CAS    OAT    CAR    .
 GSN      OAU    CAS    .      .
 GSN      CAR    CAS    NAQ    .
 GSN      HAR1   CAR    .      .
 GSN      HAR2   CAR    .      .
 GSN      NAQ    CAR    CAO    .
 GSN      HAQ    NAQ    .      .
 GSN      CAO    NAQ    CAK    .
 GSN      OAP    CAO    .      .
 GSN      CAK    CAO    NAJ    .
 GSN      HAK    CAK    .      .
 GSN      CAL    CAK    SAM    .
 GSN      HAL1   CAL    .      .
 GSN      HAL2   CAL    .      .
 GSN      SAM    CAL    NAN    .
 GSN      NAN    SAM    OAV    .
 GSN      OAV    NAN    .      .
 GSN      NAJ    CAK    CAH    .
 GSN      HAJ    NAJ    .      .
 GSN      CAH    NAJ    CAG    .
 GSN      OAI    CAH    .      .
 GSN      CAG    CAH    CB     .
 GSN      HAG1   CAG    .      .
 GSN      HAG2   CAG    .      .
 GSN      CB     CAG    CA     .
 GSN      HB1    CB     .      .
 GSN      HB2    CB     .      .
 GSN      CA     CB     C      .
 GSN      HA     CA     .      .
 GSN      N      CA     HN1    .
 GSN      HN2    N      .      .
 GSN      HN1    N      .      .
 GSN      C      CA     O      .
 GSN      OXT    C      .      .
 GSN      O      C      .      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
 GSN      OXT    C         deloc       1.250    0.020
 GSN      O      C         deloc       1.250    0.020
 GSN      C      CA        single      1.500    0.020
 GSN      N      CA        single      1.450    0.020
 GSN      CA     CB        single      1.524    0.020
 GSN      HA     CA        single      1.099    0.020
 GSN      HN1    N         single      1.010    0.020
 GSN      HN2    N         single      1.010    0.020
 GSN      CB     CAG       single      1.524    0.020
 GSN      HB1    CB        single      1.092    0.020
 GSN      HB2    CB        single      1.092    0.020
 GSN      CAG    CAH       single      1.510    0.020
 GSN      HAG1   CAG       single      1.092    0.020
 GSN      HAG2   CAG       single      1.092    0.020
 GSN      OAI    CAH       double      1.220    0.020
 GSN      CAH    NAJ       single      1.330    0.020
 GSN      NAJ    CAK       single      1.450    0.020
 GSN      HAJ    NAJ       single      1.010    0.020
 GSN      CAL    CAK       single      1.524    0.020
 GSN      CAK    CAO       single      1.500    0.020
 GSN      HAK    CAK       single      1.099    0.020
 GSN      SAM    CAL       single      1.762    0.020
 GSN      HAL1   CAL       single      1.092    0.020
 GSN      HAL2   CAL       single      1.092    0.020
 GSN      NAN    SAM       single      1.620    0.020
 GSN      OAV    NAN       double      1.220    0.020
 GSN      OAP    CAO       double      1.220    0.020
 GSN      CAO    NAQ       single      1.330    0.020
 GSN      NAQ    CAR       single      1.450    0.020
 GSN      HAQ    NAQ       single      1.010    0.020
 GSN      CAR    CAS       single      1.510    0.020
 GSN      HAR1   CAR       single      1.092    0.020
 GSN      HAR2   CAR       single      1.092    0.020
 GSN      OAU    CAS       deloc       1.250    0.020
 GSN      CAS    OAT       deloc       1.250    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
 GSN      OAT    CAS    OAU     123.000    3.000
 GSN      OAT    CAS    CAR     118.500    3.000
 GSN      OAU    CAS    CAR     118.500    3.000
 GSN      CAS    CAR    HAR1    109.470    3.000
 GSN      CAS    CAR    HAR2    109.470    3.000
 GSN      CAS    CAR    NAQ     111.600    3.000
 GSN      HAR1   CAR    HAR2    107.900    3.000
 GSN      HAR1   CAR    NAQ     109.470    3.000
 GSN      HAR2   CAR    NAQ     109.470    3.000
 GSN      CAR    NAQ    HAQ     118.500    3.000
 GSN      CAR    NAQ    CAO     121.500    3.000
 GSN      HAQ    NAQ    CAO     120.000    3.000
 GSN      NAQ    CAO    OAP     123.000    3.000
 GSN      NAQ    CAO    CAK     116.500    3.000
 GSN      OAP    CAO    CAK     120.500    3.000
 GSN      CAO    CAK    HAK     108.810    3.000
 GSN      CAO    CAK    CAL     109.470    3.000
 GSN      CAO    CAK    NAJ     111.600    3.000
 GSN      HAK    CAK    CAL     108.340    3.000
 GSN      HAK    CAK    NAJ     108.550    3.000
 GSN      CAL    CAK    NAJ     110.000    3.000
 GSN      CAK    CAL    HAL1    109.470    3.000
 GSN      CAK    CAL    HAL2    109.470    3.000
 GSN      CAK    CAL    SAM     109.500    3.000
 GSN      HAL1   CAL    HAL2    107.900    3.000
 GSN      HAL1   CAL    SAM     109.500    3.000
 GSN      HAL2   CAL    SAM     109.500    3.000
 GSN      CAL    SAM    NAN      99.981    3.000
 GSN      SAM    NAN    OAV     120.000    3.000
 GSN      CAK    NAJ    HAJ     118.500    3.000
 GSN      CAK    NAJ    CAH     121.500    3.000
 GSN      HAJ    NAJ    CAH     120.000    3.000
 GSN      NAJ    CAH    OAI     123.000    3.000
 GSN      NAJ    CAH    CAG     116.500    3.000
 GSN      OAI    CAH    CAG     120.500    3.000
 GSN      CAH    CAG    HAG1    109.470    3.000
 GSN      CAH    CAG    HAG2    109.470    3.000
 GSN      CAH    CAG    CB      109.470    3.000
 GSN      HAG1   CAG    HAG2    107.900    3.000
 GSN      HAG1   CAG    CB      109.470    3.000
 GSN      HAG2   CAG    CB      109.470    3.000
 GSN      CAG    CB     HB1     109.470    3.000
 GSN      CAG    CB     HB2     109.470    3.000
 GSN      CAG    CB     CA      111.000    3.000
 GSN      HB1    CB     HB2     107.900    3.000
 GSN      HB1    CB     CA      109.470    3.000
 GSN      HB2    CB     CA      109.470    3.000
 GSN      CB     CA     HA      108.340    3.000
 GSN      CB     CA     N       109.470    3.000
 GSN      CB     CA     C       109.470    3.000
 GSN      HA     CA     N       109.470    3.000
 GSN      HA     CA     C       108.810    3.000
 GSN      N      CA     C       109.470    3.000
 GSN      CA     N      HN2     120.000    3.000
 GSN      CA     N      HN1     120.000    3.000
 GSN      HN2    N      HN1     120.000    3.000
 GSN      CA     C      OXT     118.500    3.000
 GSN      CA     C      O       118.500    3.000
 GSN      OXT    C      O       123.000    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
 GSN      var_1    OAT    CAS    CAR    NAQ        0.040   20.000   3
 GSN      var_2    CAS    CAR    NAQ    CAO      179.962   20.000   3
 GSN      CONST_1  CAR    NAQ    CAO    CAK      180.000    0.000   0
 GSN      var_3    NAQ    CAO    CAK    NAJ     -179.986   20.000   3
 GSN      var_4    CAO    CAK    CAL    SAM      179.963   20.000   3
 GSN      var_5    CAK    CAL    SAM    NAN       74.983   20.000   1
 GSN      var_6    CAL    SAM    NAN    OAV     -179.975   20.000   1
 GSN      var_7    CAO    CAK    NAJ    CAH     -154.988   20.000   3
 GSN      CONST_2  CAK    NAJ    CAH    CAG      180.000    0.000   0
 GSN      var_8    NAJ    CAH    CAG    CB       179.999   20.000   3
 GSN      var_9    CAH    CAG    CB     CA      -179.988   20.000   3
 GSN      var_10   CAG    CB     CA     C        175.040   20.000   3
 GSN      var_11   CB     CA     N      HN1     -173.745   20.000   1
 GSN      var_12   CB     CA     C      O        -69.970   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
 GSN      chir_01  CA     C      N      CB        negativ
 GSN      chir_02  CAK    NAJ    CAL    CAO       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
 GSN      plan-1    C         0.020
 GSN      plan-1    OXT       0.020
 GSN      plan-1    O         0.020
 GSN      plan-1    CA        0.020
 GSN      plan-2    N         0.020
 GSN      plan-2    CA        0.020
 GSN      plan-2    HN1       0.020
 GSN      plan-2    HN2       0.020
 GSN      plan-3    CAH       0.020
 GSN      plan-3    CAG       0.020
 GSN      plan-3    OAI       0.020
 GSN      plan-3    NAJ       0.020
 GSN      plan-3    HAJ       0.020
 GSN      plan-4    NAJ       0.020
 GSN      plan-4    CAH       0.020
 GSN      plan-4    CAK       0.020
 GSN      plan-4    HAJ       0.020
 GSN      plan-5    NAN       0.020
 GSN      plan-5    SAM       0.020
 GSN      plan-5    OAV       0.020
 GSN      plan-6    CAO       0.020
 GSN      plan-6    CAK       0.020
 GSN      plan-6    OAP       0.020
 GSN      plan-6    NAQ       0.020
 GSN      plan-6    HAQ       0.020
 GSN      plan-7    NAQ       0.020
 GSN      plan-7    CAO       0.020
 GSN      plan-7    CAR       0.020
 GSN      plan-7    HAQ       0.020
 GSN      plan-8    CAS       0.020
 GSN      plan-8    CAR       0.020
 GSN      plan-8    OAU       0.020
 GSN      plan-8    OAT       0.020
# ------------------------------------------------------
