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
EVS      EVS '16-epi-Vellosimine                  ' non-polymer        42  22 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_EVS
#
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
 EVS           OAC    O    O         0.000      0.000    0.000    0.000
 EVS           CAF    C    C1        0.000     -1.060   -0.541   -0.209
 EVS           HAF    H    H         0.000     -1.850   -0.477    0.519
 EVS           CAZ    C    CH1       0.000     -1.275   -1.305   -1.490
 EVS           HAZ    H    H         0.000     -0.363   -1.266   -2.101
 EVS           CAX    C    CH1       0.000     -2.437   -0.690   -2.264
 EVS           HAX    H    H         0.000     -2.109   -0.535   -3.301
 EVS           CAV    C    CH1       0.000     -1.620   -2.776   -1.163
 EVS           HAV    H    H         0.000     -0.771   -3.303   -0.705
 EVS           CAP    C    C         0.000     -2.048   -3.421   -2.477
 EVS           CAE    C    C1        0.000     -1.412   -4.432   -3.015
 EVS           HAE    H    H         0.000     -1.759   -4.856   -3.942
 EVS           CAA    C    CH3       0.000     -0.194   -5.004   -2.335
 EVS           HAAB   H    H         0.000     -0.460   -5.353   -1.371
 EVS           HAAA   H    H         0.000      0.186   -5.808   -2.910
 EVS           HAA    H    H         0.000      0.546   -4.251   -2.247
 EVS           CAM    C    CH2       0.000     -2.847   -2.771   -0.248
 EVS           HAM    H    H         0.000     -2.593   -2.292    0.700
 EVS           HAMA   H    H         0.000     -3.166   -3.799   -0.061
 EVS           CAW    C    CH1       0.000     -3.984   -1.997   -0.924
 EVS           HAW    H    H         0.000     -4.897   -2.608   -0.955
 EVS           NAY    N    NT        0.000     -3.587   -1.599   -2.286
 EVS           CAK    C    CH2       0.000     -3.284   -2.792   -3.106
 EVS           HAKA   H    H         0.000     -3.068   -2.518   -4.141
 EVS           HAK    H    H         0.000     -4.109   -3.508   -3.086
 EVS           CAS    C    CR5       0.000     -4.223   -0.734   -0.125
 EVS           CAR    C    CR5       0.000     -3.695    0.461   -0.473
 EVS           CAL    C    CH2       0.000     -2.830    0.670   -1.688
 EVS           HALA   H    H         0.000     -1.931    1.222   -1.407
 EVS           HAL    H    H         0.000     -3.384    1.238   -2.439
 EVS           NAN    N    NR15      0.000     -4.961   -0.603    1.018
 EVS           HNAN   H    H         0.000     -5.473   -1.375    1.492
 EVS           CAT    C    CR56      0.000     -4.925    0.694    1.443
 EVS           CAU    C    CR56      0.000     -4.125    1.420    0.522
 EVS           CAI    C    CR16      0.000     -5.501    1.334    2.538
 EVS           HAI    H    H         0.000     -6.113    0.795    3.251
 EVS           CAG    C    CR16      0.000     -5.257    2.691    2.673
 EVS           HAG    H    H         0.000     -5.690    3.219    3.513
 EVS           CAH    C    CR16      0.000     -4.476    3.393    1.770
 EVS           HAH    H    H         0.000     -4.319    4.453    1.927
 EVS           CAJ    C    CR16      0.000     -3.895    2.789    0.683
 EVS           HAJ    H    H         0.000     -3.287    3.348   -0.018
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
 EVS      OAC    n/a    CAF    START
 EVS      CAF    OAC    CAZ    .
 EVS      HAF    CAF    .      .
 EVS      CAZ    CAF    CAV    .
 EVS      HAZ    CAZ    .      .
 EVS      CAX    CAZ    HAX    .
 EVS      HAX    CAX    .      .
 EVS      CAV    CAZ    CAM    .
 EVS      HAV    CAV    .      .
 EVS      CAP    CAV    CAE    .
 EVS      CAE    CAP    CAA    .
 EVS      HAE    CAE    .      .
 EVS      CAA    CAE    HAA    .
 EVS      HAAB   CAA    .      .
 EVS      HAAA   CAA    .      .
 EVS      HAA    CAA    .      .
 EVS      CAM    CAV    CAW    .
 EVS      HAM    CAM    .      .
 EVS      HAMA   CAM    .      .
 EVS      CAW    CAM    CAS    .
 EVS      HAW    CAW    .      .
 EVS      NAY    CAW    CAK    .
 EVS      CAK    NAY    HAK    .
 EVS      HAKA   CAK    .      .
 EVS      HAK    CAK    .      .
 EVS      CAS    CAW    NAN    .
 EVS      CAR    CAS    CAL    .
 EVS      CAL    CAR    HAL    .
 EVS      HALA   CAL    .      .
 EVS      HAL    CAL    .      .
 EVS      NAN    CAS    CAT    .
 EVS      HNAN   NAN    .      .
 EVS      CAT    NAN    CAI    .
 EVS      CAU    CAT    .      .
 EVS      CAI    CAT    CAG    .
 EVS      HAI    CAI    .      .
 EVS      CAG    CAI    CAH    .
 EVS      HAG    CAG    .      .
 EVS      CAH    CAG    CAJ    .
 EVS      HAH    CAH    .      .
 EVS      CAJ    CAH    HAJ    .
 EVS      HAJ    CAJ    .      END
 EVS      CAP    CAK    .    ADD
 EVS      NAY    CAX    .    ADD
 EVS      CAX    CAL    .    ADD
 EVS      CAR    CAU    .    ADD
 EVS      CAU    CAJ    .    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
 EVS      CAA    CAE       single      1.510    0.020
 EVS      CAE    CAP       double      1.340    0.020
 EVS      CAP    CAK       single      1.510    0.020
 EVS      CAP    CAV       single      1.500    0.020
 EVS      CAK    NAY       single      1.469    0.020
 EVS      NAY    CAX       single      1.469    0.020
 EVS      NAY    CAW       single      1.469    0.020
 EVS      CAX    CAL       single      1.524    0.020
 EVS      CAX    CAZ       single      1.524    0.020
 EVS      CAL    CAR       single      1.510    0.020
 EVS      CAR    CAU       single      1.490    0.020
 EVS      CAR    CAS       double      1.490    0.020
 EVS      CAU    CAJ       double      1.390    0.020
 EVS      CAU    CAT       single      1.490    0.020
 EVS      CAJ    CAH       single      1.390    0.020
 EVS      CAH    CAG       double      1.390    0.020
 EVS      CAG    CAI       single      1.390    0.020
 EVS      CAI    CAT       double      1.390    0.020
 EVS      CAT    NAN       single      1.340    0.020
 EVS      NAN    CAS       single      1.340    0.020
 EVS      CAS    CAW       single      1.480    0.020
 EVS      CAW    CAM       single      1.524    0.020
 EVS      CAM    CAV       single      1.524    0.020
 EVS      CAV    CAZ       single      1.524    0.020
 EVS      CAZ    CAF       single      1.510    0.020
 EVS      CAF    OAC       double      1.220    0.020
 EVS      HAA    CAA       single      1.059    0.020
 EVS      HAAA   CAA       single      1.059    0.020
 EVS      HAAB   CAA       single      1.059    0.020
 EVS      HAE    CAE       single      1.077    0.020
 EVS      HAK    CAK       single      1.092    0.020
 EVS      HAKA   CAK       single      1.092    0.020
 EVS      HAX    CAX       single      1.099    0.020
 EVS      HAL    CAL       single      1.092    0.020
 EVS      HALA   CAL       single      1.092    0.020
 EVS      HAJ    CAJ       single      1.083    0.020
 EVS      HAH    CAH       single      1.083    0.020
 EVS      HAG    CAG       single      1.083    0.020
 EVS      HAI    CAI       single      1.083    0.020
 EVS      HNAN   NAN       single      1.040    0.020
 EVS      HAW    CAW       single      1.099    0.020
 EVS      HAM    CAM       single      1.092    0.020
 EVS      HAMA   CAM       single      1.092    0.020
 EVS      HAV    CAV       single      1.099    0.020
 EVS      HAZ    CAZ       single      1.099    0.020
 EVS      HAF    CAF       single      1.077    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
 EVS      OAC    CAF    HAF     123.000    3.000
 EVS      OAC    CAF    CAZ     120.500    3.000
 EVS      HAF    CAF    CAZ     120.000    3.000
 EVS      CAF    CAZ    HAZ     108.810    3.000
 EVS      CAF    CAZ    CAX     109.470    3.000
 EVS      CAF    CAZ    CAV     109.470    3.000
 EVS      HAZ    CAZ    CAX     108.340    3.000
 EVS      HAZ    CAZ    CAV     108.340    3.000
 EVS      CAX    CAZ    CAV     111.000    3.000
 EVS      CAZ    CAX    HAX     108.340    3.000
 EVS      CAZ    CAX    NAY     109.500    3.000
 EVS      CAZ    CAX    CAL     111.000    3.000
 EVS      NAY    CAX    CAL     109.500    3.000
 EVS      HAX    CAX    NAY     109.500    3.000
 EVS      HAX    CAX    CAL     108.340    3.000
 EVS      CAZ    CAV    HAV     108.340    3.000
 EVS      CAZ    CAV    CAP     109.470    3.000
 EVS      CAZ    CAV    CAM     111.000    3.000
 EVS      HAV    CAV    CAP     108.810    3.000
 EVS      HAV    CAV    CAM     108.340    3.000
 EVS      CAP    CAV    CAM     109.470    3.000
 EVS      CAV    CAP    CAE     120.000    3.000
 EVS      CAV    CAP    CAK     120.000    3.000
 EVS      CAE    CAP    CAK     120.000    3.000
 EVS      CAP    CAE    HAE     120.000    3.000
 EVS      CAP    CAE    CAA     120.500    3.000
 EVS      HAE    CAE    CAA     120.000    3.000
 EVS      CAE    CAA    HAAB    109.470    3.000
 EVS      CAE    CAA    HAAA    109.470    3.000
 EVS      CAE    CAA    HAA     109.470    3.000
 EVS      HAAB   CAA    HAAA    109.470    3.000
 EVS      HAAB   CAA    HAA     109.470    3.000
 EVS      HAAA   CAA    HAA     109.470    3.000
 EVS      CAV    CAM    HAM     109.470    3.000
 EVS      CAV    CAM    HAMA    109.470    3.000
 EVS      CAV    CAM    CAW     111.000    3.000
 EVS      HAM    CAM    HAMA    107.900    3.000
 EVS      HAM    CAM    CAW     109.470    3.000
 EVS      HAMA   CAM    CAW     109.470    3.000
 EVS      CAM    CAW    HAW     108.340    3.000
 EVS      CAM    CAW    NAY     109.500    3.000
 EVS      CAM    CAW    CAS     109.470    3.000
 EVS      HAW    CAW    NAY     109.500    3.000
 EVS      HAW    CAW    CAS     109.470    3.000
 EVS      NAY    CAW    CAS     109.500    3.000
 EVS      CAW    NAY    CAK     109.470    3.000
 EVS      CAW    NAY    CAX     109.500    3.000
 EVS      CAK    NAY    CAX     109.470    3.000
 EVS      NAY    CAK    HAKA    109.470    3.000
 EVS      NAY    CAK    HAK     109.470    3.000
 EVS      NAY    CAK    CAP     109.500    3.000
 EVS      HAKA   CAK    HAK     107.900    3.000
 EVS      HAKA   CAK    CAP     109.470    3.000
 EVS      HAK    CAK    CAP     109.470    3.000
 EVS      CAW    CAS    CAR     126.000    3.000
 EVS      CAW    CAS    NAN     126.000    3.000
 EVS      CAR    CAS    NAN     108.000    3.000
 EVS      CAS    CAR    CAL     126.000    3.000
 EVS      CAS    CAR    CAU     108.000    3.000
 EVS      CAL    CAR    CAU     126.000    3.000
 EVS      CAR    CAL    HALA    109.470    3.000
 EVS      CAR    CAL    HAL     109.470    3.000
 EVS      CAR    CAL    CAX     109.470    3.000
 EVS      HALA   CAL    HAL     107.900    3.000
 EVS      HALA   CAL    CAX     109.470    3.000
 EVS      HAL    CAL    CAX     109.470    3.000
 EVS      CAS    NAN    HNAN    126.000    3.000
 EVS      CAS    NAN    CAT     108.000    3.000
 EVS      HNAN   NAN    CAT     126.000    3.000
 EVS      NAN    CAT    CAU     108.000    3.000
 EVS      NAN    CAT    CAI     132.000    3.000
 EVS      CAU    CAT    CAI     120.000    3.000
 EVS      CAT    CAU    CAR     108.000    3.000
 EVS      CAT    CAU    CAJ     120.000    3.000
 EVS      CAR    CAU    CAJ     126.000    3.000
 EVS      CAT    CAI    HAI     120.000    3.000
 EVS      CAT    CAI    CAG     120.000    3.000
 EVS      HAI    CAI    CAG     120.000    3.000
 EVS      CAI    CAG    HAG     120.000    3.000
 EVS      CAI    CAG    CAH     120.000    3.000
 EVS      HAG    CAG    CAH     120.000    3.000
 EVS      CAG    CAH    HAH     120.000    3.000
 EVS      CAG    CAH    CAJ     120.000    3.000
 EVS      HAH    CAH    CAJ     120.000    3.000
 EVS      CAH    CAJ    HAJ     120.000    3.000
 EVS      CAH    CAJ    CAU     120.000    3.000
 EVS      HAJ    CAJ    CAU     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
 EVS      var_1    OAC    CAF    CAZ    CAV      120.775   20.000   1
 EVS      var_2    CAF    CAZ    CAX    NAY     -120.000   20.000   3
 EVS      var_3    CAZ    CAX    CAL    CAR      -90.000   20.000   3
 EVS      var_4    CAF    CAZ    CAV    CAM       60.000   20.000   3
 EVS      var_5    CAZ    CAV    CAP    CAE      120.000   20.000   3
 EVS      var_6    CAV    CAP    CAK    NAY        0.000   20.000   3
 EVS      CONST_1  CAV    CAP    CAE    CAA       -0.392    0.000   0
 EVS      var_7    CAP    CAE    CAA    HAA      -59.891   20.000   1
 EVS      var_8    CAZ    CAV    CAM    CAW       55.496   20.000   3
 EVS      var_9    CAV    CAM    CAW    CAS     -112.451   20.000   3
 EVS      var_10   CAM    CAW    NAY    CAK       60.000   20.000   1
 EVS      var_11   CAW    NAY    CAX    CAZ       60.000   20.000   1
 EVS      var_12   CAW    NAY    CAK    CAP      -60.000   20.000   1
 EVS      var_13   CAM    CAW    CAS    NAN      -90.000   20.000   1
 EVS      CONST_2  CAW    CAS    CAR    CAL        0.000    0.000   0
 EVS      CONST_3  CAS    CAR    CAU    CAT        0.000    0.000   0
 EVS      var_14   CAS    CAR    CAL    CAX        0.000   20.000   2
 EVS      CONST_4  CAW    CAS    NAN    CAT      180.000    0.000   0
 EVS      CONST_5  CAS    NAN    CAT    CAI      180.000    0.000   0
 EVS      CONST_6  NAN    CAT    CAU    CAR        0.000    0.000   0
 EVS      CONST_7  CAT    CAU    CAJ    CAH        0.000    0.000   0
 EVS      CONST_8  NAN    CAT    CAI    CAG      180.000    0.000   0
 EVS      CONST_9  CAT    CAI    CAG    CAH        0.000    0.000   0
 EVS      CONST_10 CAI    CAG    CAH    CAJ        0.000    0.000   0
 EVS      CONST_11 CAG    CAH    CAJ    CAU        0.000    0.000   0
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
 EVS      chir_01  NAY    CAK    CAX    CAW       positiv
 EVS      chir_02  CAX    NAY    CAL    CAZ       negativ
 EVS      chir_03  CAW    NAY    CAS    CAM       positiv
 EVS      chir_04  CAV    CAP    CAM    CAZ       positiv
 EVS      chir_05  CAZ    CAX    CAV    CAF       positiv
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
 EVS      plan-1    CAE       0.020
 EVS      plan-1    CAA       0.020
 EVS      plan-1    CAP       0.020
 EVS      plan-1    HAE       0.020
 EVS      plan-1    CAK       0.020
 EVS      plan-1    CAV       0.020
 EVS      plan-2    CAR       0.020
 EVS      plan-2    CAL       0.020
 EVS      plan-2    CAU       0.020
 EVS      plan-2    CAS       0.020
 EVS      plan-2    NAN       0.020
 EVS      plan-2    CAJ       0.020
 EVS      plan-2    CAT       0.020
 EVS      plan-2    CAH       0.020
 EVS      plan-2    CAG       0.020
 EVS      plan-2    CAI       0.020
 EVS      plan-2    HAJ       0.020
 EVS      plan-2    HAH       0.020
 EVS      plan-2    HAG       0.020
 EVS      plan-2    HAI       0.020
 EVS      plan-2    HNAN      0.020
 EVS      plan-2    CAW       0.020
 EVS      plan-3    CAF       0.020
 EVS      plan-3    CAZ       0.020
 EVS      plan-3    OAC       0.020
 EVS      plan-3    HAF       0.020
# ------------------------------------------------------
