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
SSV      SSV '(3E,5E,7E,9E,11E,13E)-pentadeca-3,5,' non-polymer        34  16 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SSV
#
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
 SSV           OAC    O    O         0.000      0.000    0.000    0.000
 SSV           CAP    C    C         0.000     -0.241   -1.193    0.000
 SSV           CAB    C    CH3       0.000      0.889   -2.189    0.000
 SSV           HAB3   H    H         0.000      0.583   -3.072   -0.500
 SSV           HAB2   H    H         0.000      1.727   -1.775   -0.499
 SSV           HAB1   H    H         0.000      1.155   -2.424    0.998
 SSV           CAO    C    C1        0.000     -1.565   -1.637    0.000
 SSV           HAO    H    H         0.000     -1.779   -2.693    0.000
 SSV           CAN    C    C1        0.000     -2.601   -0.723    0.000
 SSV           HAN    H    H         0.000     -2.387    0.332    0.000
 SSV           CAM    C    C1        0.000     -3.925   -1.168    0.000
 SSV           HAM    H    H         0.000     -4.138   -2.224    0.000
 SSV           CAL    C    C1        0.000     -4.960   -0.255    0.000
 SSV           HAL    H    H         0.000     -4.746    0.800    0.000
 SSV           CAK    C    C1        0.000     -6.285   -0.700    0.000
 SSV           HAK    H    H         0.000     -6.499   -1.756    0.000
 SSV           CAJ    C    C1        0.000     -7.319    0.212    0.000
 SSV           HAJ    H    H         0.000     -7.106    1.267    0.000
 SSV           CAI    C    C1        0.000     -8.647   -0.235    0.000
 SSV           HAI    H    H         0.000     -8.860   -1.290    0.000
 SSV           CAH    C    C1        0.000     -9.670    0.669    0.000
 SSV           HAH    H    H         0.000     -9.457    1.725    0.000
 SSV           CAG    C    C1        0.000    -11.002    0.222    0.000
 SSV           HAG    H    H         0.000    -11.216   -0.834    0.000
 SSV           CAF    C    C1        0.000    -12.022    1.122    0.000
 SSV           HAF    H    H         0.000    -11.809    2.177    0.000
 SSV           CAE    C    C1        0.000    -13.365    0.670    0.000
 SSV           HAE    H    H         0.000    -13.578   -0.386    0.000
 SSV           CAD    C    C1        0.000    -14.368    1.555    0.000
 SSV           HAD    H    H         0.000    -14.154    2.611    0.000
 SSV           CAA    C    CH3       0.000    -15.796    1.075    0.000
 SSV           HAA3   H    H         0.000    -16.448    1.909    0.000
 SSV           HAA2   H    H         0.000    -15.971    0.489   -0.864
 SSV           HAA1   H    H         0.000    -15.971    0.490    0.865
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
 SSV      OAC    n/a    CAP    START
 SSV      CAP    OAC    CAO    .
 SSV      CAB    CAP    HAB1   .
 SSV      HAB3   CAB    .      .
 SSV      HAB2   CAB    .      .
 SSV      HAB1   CAB    .      .
 SSV      CAO    CAP    CAN    .
 SSV      HAO    CAO    .      .
 SSV      CAN    CAO    CAM    .
 SSV      HAN    CAN    .      .
 SSV      CAM    CAN    CAL    .
 SSV      HAM    CAM    .      .
 SSV      CAL    CAM    CAK    .
 SSV      HAL    CAL    .      .
 SSV      CAK    CAL    CAJ    .
 SSV      HAK    CAK    .      .
 SSV      CAJ    CAK    CAI    .
 SSV      HAJ    CAJ    .      .
 SSV      CAI    CAJ    CAH    .
 SSV      HAI    CAI    .      .
 SSV      CAH    CAI    CAG    .
 SSV      HAH    CAH    .      .
 SSV      CAG    CAH    CAF    .
 SSV      HAG    CAG    .      .
 SSV      CAF    CAG    CAE    .
 SSV      HAF    CAF    .      .
 SSV      CAE    CAF    CAD    .
 SSV      HAE    CAE    .      .
 SSV      CAD    CAE    CAA    .
 SSV      HAD    CAD    .      .
 SSV      CAA    CAD    HAA1   .
 SSV      HAA3   CAA    .      .
 SSV      HAA2   CAA    .      .
 SSV      HAA1   CAA    .      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
 SSV      CAB    CAP       single      1.500    0.020
 SSV      CAP    OAC       double      1.220    0.020
 SSV      CAO    CAP       single      1.475    0.020
 SSV      CAN    CAO       double      1.330    0.020
 SSV      CAM    CAN       single      1.460    0.020
 SSV      CAL    CAM       double      1.330    0.020
 SSV      CAK    CAL       single      1.460    0.020
 SSV      CAJ    CAK       double      1.330    0.020
 SSV      CAI    CAJ       single      1.460    0.020
 SSV      CAH    CAI       double      1.330    0.020
 SSV      CAG    CAH       single      1.460    0.020
 SSV      CAF    CAG       double      1.330    0.020
 SSV      CAE    CAF       single      1.460    0.020
 SSV      CAD    CAE       double      1.330    0.020
 SSV      CAA    CAD       single      1.510    0.020
 SSV      HAB1   CAB       single      1.059    0.020
 SSV      HAB2   CAB       single      1.059    0.020
 SSV      HAB3   CAB       single      1.059    0.020
 SSV      HAO    CAO       single      1.077    0.020
 SSV      HAN    CAN       single      1.077    0.020
 SSV      HAM    CAM       single      1.077    0.020
 SSV      HAL    CAL       single      1.077    0.020
 SSV      HAK    CAK       single      1.077    0.020
 SSV      HAJ    CAJ       single      1.077    0.020
 SSV      HAI    CAI       single      1.077    0.020
 SSV      HAH    CAH       single      1.077    0.020
 SSV      HAG    CAG       single      1.077    0.020
 SSV      HAF    CAF       single      1.077    0.020
 SSV      HAE    CAE       single      1.077    0.020
 SSV      HAD    CAD       single      1.077    0.020
 SSV      HAA1   CAA       single      1.059    0.020
 SSV      HAA2   CAA       single      1.059    0.020
 SSV      HAA3   CAA       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
 SSV      OAC    CAP    CAB     123.000    3.000
 SSV      OAC    CAP    CAO     120.500    3.000
 SSV      CAB    CAP    CAO     120.000    3.000
 SSV      CAP    CAB    HAB3    109.470    3.000
 SSV      CAP    CAB    HAB2    109.470    3.000
 SSV      CAP    CAB    HAB1    109.470    3.000
 SSV      HAB3   CAB    HAB2    109.470    3.000
 SSV      HAB3   CAB    HAB1    109.470    3.000
 SSV      HAB2   CAB    HAB1    109.470    3.000
 SSV      CAP    CAO    HAO     120.000    3.000
 SSV      CAP    CAO    CAN     120.000    3.000
 SSV      HAO    CAO    CAN     120.000    3.000
 SSV      CAO    CAN    HAN     120.000    3.000
 SSV      CAO    CAN    CAM     120.000    3.000
 SSV      HAN    CAN    CAM     120.000    3.000
 SSV      CAN    CAM    HAM     120.000    3.000
 SSV      CAN    CAM    CAL     120.000    3.000
 SSV      HAM    CAM    CAL     120.000    3.000
 SSV      CAM    CAL    HAL     120.000    3.000
 SSV      CAM    CAL    CAK     120.000    3.000
 SSV      HAL    CAL    CAK     120.000    3.000
 SSV      CAL    CAK    HAK     120.000    3.000
 SSV      CAL    CAK    CAJ     120.000    3.000
 SSV      HAK    CAK    CAJ     120.000    3.000
 SSV      CAK    CAJ    HAJ     120.000    3.000
 SSV      CAK    CAJ    CAI     120.000    3.000
 SSV      HAJ    CAJ    CAI     120.000    3.000
 SSV      CAJ    CAI    HAI     120.000    3.000
 SSV      CAJ    CAI    CAH     120.000    3.000
 SSV      HAI    CAI    CAH     120.000    3.000
 SSV      CAI    CAH    HAH     120.000    3.000
 SSV      CAI    CAH    CAG     120.000    3.000
 SSV      HAH    CAH    CAG     120.000    3.000
 SSV      CAH    CAG    HAG     120.000    3.000
 SSV      CAH    CAG    CAF     120.000    3.000
 SSV      HAG    CAG    CAF     120.000    3.000
 SSV      CAG    CAF    HAF     120.000    3.000
 SSV      CAG    CAF    CAE     120.000    3.000
 SSV      HAF    CAF    CAE     120.000    3.000
 SSV      CAF    CAE    HAE     120.000    3.000
 SSV      CAF    CAE    CAD     120.000    3.000
 SSV      HAE    CAE    CAD     120.000    3.000
 SSV      CAE    CAD    HAD     120.000    3.000
 SSV      CAE    CAD    CAA     120.000    3.000
 SSV      HAD    CAD    CAA     120.000    3.000
 SSV      CAD    CAA    HAA3    109.470    3.000
 SSV      CAD    CAA    HAA2    109.470    3.000
 SSV      CAD    CAA    HAA1    109.470    3.000
 SSV      HAA3   CAA    HAA2    109.470    3.000
 SSV      HAA3   CAA    HAA1    109.470    3.000
 SSV      HAA2   CAA    HAA1    109.470    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
 SSV      var_1    OAC    CAP    CAB    HAB1      90.033   20.000   1
 SSV      var_2    OAC    CAP    CAO    CAN        0.000   20.000   1
 SSV      CONST_1  CAP    CAO    CAN    CAM      180.000    0.000   0
 SSV      var_3    CAO    CAN    CAM    CAL      180.000   20.000   1
 SSV      CONST_2  CAN    CAM    CAL    CAK      180.000    0.000   0
 SSV      var_4    CAM    CAL    CAK    CAJ      180.000   20.000   1
 SSV      CONST_3  CAL    CAK    CAJ    CAI      180.000    0.000   0
 SSV      var_5    CAK    CAJ    CAI    CAH      180.000   20.000   1
 SSV      CONST_4  CAJ    CAI    CAH    CAG      180.000    0.000   0
 SSV      var_6    CAI    CAH    CAG    CAF      180.000   20.000   1
 SSV      CONST_5  CAH    CAG    CAF    CAE      180.000    0.000   0
 SSV      var_7    CAG    CAF    CAE    CAD      180.000   20.000   1
 SSV      CONST_6  CAF    CAE    CAD    CAA      180.000    0.000   0
 SSV      var_8    CAE    CAD    CAA    HAA1      60.021   20.000   1
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
 SSV      plan-1    CAP       0.020
 SSV      plan-1    CAB       0.020
 SSV      plan-1    OAC       0.020
 SSV      plan-1    CAO       0.020
 SSV      plan-1    HAO       0.020
 SSV      plan-2    CAO       0.020
 SSV      plan-2    CAP       0.020
 SSV      plan-2    CAN       0.020
 SSV      plan-2    HAO       0.020
 SSV      plan-2    CAM       0.020
 SSV      plan-2    HAN       0.020
 SSV      plan-2    HAM       0.020
 SSV      plan-3    CAM       0.020
 SSV      plan-3    CAN       0.020
 SSV      plan-3    CAL       0.020
 SSV      plan-3    HAM       0.020
 SSV      plan-3    CAK       0.020
 SSV      plan-3    HAL       0.020
 SSV      plan-3    HAN       0.020
 SSV      plan-3    HAK       0.020
 SSV      plan-4    CAK       0.020
 SSV      plan-4    CAL       0.020
 SSV      plan-4    CAJ       0.020
 SSV      plan-4    HAK       0.020
 SSV      plan-4    CAI       0.020
 SSV      plan-4    HAJ       0.020
 SSV      plan-4    HAL       0.020
 SSV      plan-4    HAI       0.020
 SSV      plan-5    CAI       0.020
 SSV      plan-5    CAJ       0.020
 SSV      plan-5    CAH       0.020
 SSV      plan-5    HAI       0.020
 SSV      plan-5    CAG       0.020
 SSV      plan-5    HAH       0.020
 SSV      plan-5    HAJ       0.020
 SSV      plan-5    HAG       0.020
 SSV      plan-6    CAG       0.020
 SSV      plan-6    CAH       0.020
 SSV      plan-6    CAF       0.020
 SSV      plan-6    HAG       0.020
 SSV      plan-6    CAE       0.020
 SSV      plan-6    HAF       0.020
 SSV      plan-6    HAH       0.020
 SSV      plan-6    HAE       0.020
 SSV      plan-7    CAE       0.020
 SSV      plan-7    CAF       0.020
 SSV      plan-7    CAD       0.020
 SSV      plan-7    HAE       0.020
 SSV      plan-7    CAA       0.020
 SSV      plan-7    HAD       0.020
 SSV      plan-7    HAF       0.020
# ------------------------------------------------------
