File: 737.cif

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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
737      737 'N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONY' non-polymer        78  45 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_737
#
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
 737           O30    O    O         0.000      0.000    0.000    0.000
 737           C21    C    CR6       0.000     -0.411   -0.127   -1.152
 737           C20    C    CR6       0.000      0.543   -0.379   -2.264
 737           N22    N    NH1       0.000      1.868   -0.492   -1.971
 737           H22    H    H         0.000      2.178   -0.400   -1.014
 737           C35    C    CH2       0.000      2.830   -0.738   -3.010
 737           H351   H    H         0.000      2.792    0.096   -3.713
 737           H352   H    H         0.000      2.547   -1.659   -3.524
 737           C36    C    CR6       0.000      4.223   -0.874   -2.466
 737           C45    C    CR66      0.000      4.707   -2.121   -2.087
 737           N44    N    NRD6      0.000      3.930   -3.214   -2.203
 737           C43    C    CR16      0.000      4.441   -4.406   -1.822
 737           H43    H    H         0.000      3.811   -5.282   -1.917
 737           C42    C    CR16      0.000      5.715   -4.577   -1.318
 737           H42    H    H         0.000      6.078   -5.555   -1.027
 737           C41    C    CR16      0.000      6.513   -3.449   -1.198
 737           H41    H    H         0.000      7.519   -3.539   -0.807
 737           C40    C    CR66      0.000      6.022   -2.193   -1.582
 737           C39    C    CR16      0.000      6.806   -1.032   -1.475
 737           H39    H    H         0.000      7.815   -1.097   -1.086
 737           C38    C    CR16      0.000      6.293    0.202   -1.864
 737           H38    H    H         0.000      6.899    1.095   -1.779
 737           C37    C    CR16      0.000      4.998    0.281   -2.361
 737           H37    H    H         0.000      4.591    1.237   -2.666
 737           C19    C    CR16      0.000      0.063   -0.488   -3.506
 737           H19    H    H         0.000      0.777   -0.682   -4.297
 737           N18    N    NRD6      0.000     -1.251   -0.377   -3.865
 737           N16    N    NR6       0.000     -1.752   -0.053   -1.553
 737           C17    C    CR6       0.000     -2.102   -0.161   -2.908
 737           C23    C    CR6       0.000     -3.522   -0.020   -3.285
 737           C28    C    CR16      0.000     -4.338   -1.145   -3.327
 737           H28    H    H         0.000     -3.934   -2.121   -3.085
 737           C27    C    CR6       0.000     -5.680   -1.012   -3.681
 737           C29    C    CH3       0.000     -6.563   -2.213   -3.726
 737           H293   H    H         0.000     -7.553   -1.911   -3.945
 737           H292   H    H         0.000     -6.219   -2.872   -4.478
 737           H291   H    H         0.000     -6.540   -2.699   -2.787
 737           C26    C    CR16      0.000     -6.198    0.245   -3.993
 737           H26    H    H         0.000     -7.240    0.349   -4.269
 737           C25    C    CR16      0.000     -5.373    1.369   -3.948
 737           H25    H    H         0.000     -5.775    2.346   -4.189
 737           C24    C    CR16      0.000     -4.030    1.236   -3.594
 737           H24    H    H         0.000     -3.388    2.107   -3.559
 737           C15    C    CH2       0.000     -2.759    0.133   -0.506
 737           H151   H    H         0.000     -3.611    0.680   -0.916
 737           H152   H    H         0.000     -2.325    0.702    0.318
 737           C13    C    C         0.000     -3.219   -1.212   -0.003
 737           O14    O    O         0.000     -2.503   -2.211    0.008
 737           N05    N    NH1       0.000     -4.536   -1.167    0.434
 737           H05    H    H         0.000     -5.029   -0.288    0.378
 737           CY     C    CH1       0.000     -5.236   -2.313    0.964
 737           HY     H    H         0.000     -4.833   -3.228    0.506
 737           CX     C    C         0.000     -6.706   -2.154    0.567
 737           OX     O    O         0.000     -7.203   -1.026    0.527
 737           CZ     C    CR5       0.000     -7.482   -3.358    0.222
 737           S34    S    S2        0.000     -9.107   -3.191   -0.215
 737           C33    C    CR15      0.000     -9.159   -4.894   -0.410
 737           H33    H    H         0.000    -10.030   -5.461   -0.715
 737           C32    C    CR15      0.000     -7.923   -5.431   -0.120
 737           H32    H    H         0.000     -7.731   -6.495   -0.178
 737           N31    N    NRD5      0.000     -6.945   -4.529    0.250
 737           C06    C    CH2       0.000     -5.099   -2.406    2.486
 737           H061   H    H         0.000     -5.651   -3.286    2.822
 737           H062   H    H         0.000     -5.545   -1.510    2.921
 737           C07    C    CH2       0.000     -3.636   -2.519    2.931
 737           H071   H    H         0.000     -3.097   -1.657    2.533
 737           H072   H    H         0.000     -3.224   -3.434    2.502
 737           C08    C    CH2       0.000     -3.488   -2.556    4.450
 737           H081   H    H         0.000     -4.066   -3.398    4.837
 737           H082   H    H         0.000     -3.882   -1.625    4.863
 737           N09    N    NH1       0.000     -2.103   -2.705    4.832
 737           H09    H    H         0.000     -1.428   -2.726    4.081
 737           C10    C    C         0.000     -1.603   -2.823    6.112
 737           N12    N    N         0.000     -0.320   -2.954    6.327
 737           H12    H    H         0.000      0.305   -2.970    5.596
 737           N11    N    NH2       0.000     -2.509   -2.796    7.142
 737           H112   H    H         0.000     -2.201   -2.879    8.108
 737           H111   H    H         0.000     -3.504   -2.693    6.956
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
 737      O30    n/a    C21    START
 737      C21    O30    N16    .
 737      C20    C21    C19    .
 737      N22    C20    C35    .
 737      H22    N22    .      .
 737      C35    N22    C36    .
 737      H351   C35    .      .
 737      H352   C35    .      .
 737      C36    C35    C45    .
 737      C45    C36    C40    .
 737      N44    C45    C43    .
 737      C43    N44    C42    .
 737      H43    C43    .      .
 737      C42    C43    C41    .
 737      H42    C42    .      .
 737      C41    C42    H41    .
 737      H41    C41    .      .
 737      C40    C45    C39    .
 737      C39    C40    C38    .
 737      H39    C39    .      .
 737      C38    C39    C37    .
 737      H38    C38    .      .
 737      C37    C38    H37    .
 737      H37    C37    .      .
 737      C19    C20    N18    .
 737      H19    C19    .      .
 737      N18    C19    .      .
 737      N16    C21    C15    .
 737      C17    N16    C23    .
 737      C23    C17    C28    .
 737      C28    C23    C27    .
 737      H28    C28    .      .
 737      C27    C28    C26    .
 737      C29    C27    H291   .
 737      H293   C29    .      .
 737      H292   C29    .      .
 737      H291   C29    .      .
 737      C26    C27    C25    .
 737      H26    C26    .      .
 737      C25    C26    C24    .
 737      H25    C25    .      .
 737      C24    C25    H24    .
 737      H24    C24    .      .
 737      C15    N16    C13    .
 737      H151   C15    .      .
 737      H152   C15    .      .
 737      C13    C15    N05    .
 737      O14    C13    .      .
 737      N05    C13    CY     .
 737      H05    N05    .      .
 737      CY     N05    C06    .
 737      HY     CY     .      .
 737      CX     CY     CZ     .
 737      OX     CX     .      .
 737      CZ     CX     S34    .
 737      S34    CZ     C33    .
 737      C33    S34    C32    .
 737      H33    C33    .      .
 737      C32    C33    N31    .
 737      H32    C32    .      .
 737      N31    C32    .      .
 737      C06    CY     C07    .
 737      H061   C06    .      .
 737      H062   C06    .      .
 737      C07    C06    C08    .
 737      H071   C07    .      .
 737      H072   C07    .      .
 737      C08    C07    N09    .
 737      H081   C08    .      .
 737      H082   C08    .      .
 737      N09    C08    C10    .
 737      H09    N09    .      .
 737      C10    N09    N11    .
 737      N12    C10    H12    .
 737      H12    N12    .      .
 737      N11    C10    H111   .
 737      H112   N11    .      .
 737      H111   N11    .      END
 737      CZ     N31    .    ADD
 737      C17    N18    .    ADD
 737      C23    C24    .    ADD
 737      C36    C37    .    ADD
 737      C40    C41    .    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
 737      CX     CY        single      1.500    0.020
 737      CZ     CX        single      1.490    0.020
 737      OX     CX        double      1.220    0.020
 737      CY     N05       single      1.450    0.020
 737      C06    CY        single      1.524    0.020
 737      HY     CY        single      1.099    0.020
 737      CZ     N31       double      1.350    0.020
 737      S34    CZ        single      1.745    0.020
 737      N05    C13       single      1.330    0.020
 737      H05    N05       single      1.010    0.020
 737      C07    C06       single      1.524    0.020
 737      H061   C06       single      1.092    0.020
 737      H062   C06       single      1.092    0.020
 737      C08    C07       single      1.524    0.020
 737      H071   C07       single      1.092    0.020
 737      H072   C07       single      1.092    0.020
 737      N09    C08       single      1.450    0.020
 737      H081   C08       single      1.092    0.020
 737      H082   C08       single      1.092    0.020
 737      C10    N09       single      1.330    0.020
 737      H09    N09       single      1.010    0.020
 737      N11    C10       single      1.332    0.020
 737      N12    C10       double      1.260    0.020
 737      H111   N11       single      1.010    0.020
 737      H112   N11       single      1.010    0.020
 737      H12    N12       single      0.954    0.020
 737      O14    C13       double      1.220    0.020
 737      C13    C15       single      1.510    0.020
 737      C15    N16       single      1.465    0.020
 737      H151   C15       single      1.092    0.020
 737      H152   C15       single      1.092    0.020
 737      C17    N16       single      1.410    0.020
 737      N16    C21       single      1.410    0.020
 737      C17    N18       double      1.350    0.020
 737      C23    C17       single      1.487    0.020
 737      N18    C19       single      1.337    0.020
 737      C19    C20       double      1.390    0.020
 737      H19    C19       single      1.083    0.020
 737      C20    C21       single      1.487    0.020
 737      N22    C20       single      1.350    0.020
 737      C21    O30       double      1.250    0.020
 737      C35    N22       single      1.450    0.020
 737      H22    N22       single      1.010    0.020
 737      C23    C24       double      1.390    0.020
 737      C28    C23       single      1.390    0.020
 737      C24    C25       single      1.390    0.020
 737      H24    C24       single      1.083    0.020
 737      C25    C26       double      1.390    0.020
 737      H25    C25       single      1.083    0.020
 737      C26    C27       single      1.390    0.020
 737      H26    C26       single      1.083    0.020
 737      C27    C28       double      1.390    0.020
 737      C29    C27       single      1.506    0.020
 737      H28    C28       single      1.083    0.020
 737      H291   C29       single      1.059    0.020
 737      H292   C29       single      1.059    0.020
 737      H293   C29       single      1.059    0.020
 737      N31    C32       single      1.350    0.020
 737      C32    C33       double      1.380    0.020
 737      H32    C32       single      1.083    0.020
 737      C33    S34       single      1.745    0.020
 737      H33    C33       single      1.083    0.020
 737      C36    C35       single      1.511    0.020
 737      H351   C35       single      1.092    0.020
 737      H352   C35       single      1.092    0.020
 737      C36    C37       double      1.390    0.020
 737      C45    C36       single      1.490    0.020
 737      C37    C38       single      1.390    0.020
 737      H37    C37       single      1.083    0.020
 737      C38    C39       double      1.390    0.020
 737      H38    C38       single      1.083    0.020
 737      C39    C40       single      1.390    0.020
 737      H39    C39       single      1.083    0.020
 737      C40    C41       double      1.390    0.020
 737      C40    C45       single      1.490    0.020
 737      C41    C42       single      1.390    0.020
 737      H41    C41       single      1.083    0.020
 737      C42    C43       double      1.390    0.020
 737      H42    C42       single      1.083    0.020
 737      C43    N44       single      1.337    0.020
 737      H43    C43       single      1.083    0.020
 737      N44    C45       double      1.350    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
 737      O30    C21    C20     120.000    3.000
 737      O30    C21    N16     120.000    3.000
 737      C20    C21    N16     120.000    3.000
 737      C21    C20    N22     120.000    3.000
 737      C21    C20    C19     120.000    3.000
 737      N22    C20    C19     120.000    3.000
 737      C20    N22    H22     120.000    3.000
 737      C20    N22    C35     120.000    3.000
 737      H22    N22    C35     118.500    3.000
 737      N22    C35    H351    109.470    3.000
 737      N22    C35    H352    109.470    3.000
 737      N22    C35    C36     109.500    3.000
 737      H351   C35    H352    107.900    3.000
 737      H351   C35    C36     109.470    3.000
 737      H352   C35    C36     109.470    3.000
 737      C35    C36    C45     120.000    3.000
 737      C35    C36    C37     120.000    3.000
 737      C45    C36    C37     120.000    3.000
 737      C36    C45    N44     120.000    3.000
 737      C36    C45    C40     120.000    3.000
 737      N44    C45    C40     120.000    3.000
 737      C45    N44    C43     120.000    3.000
 737      N44    C43    H43     120.000    3.000
 737      N44    C43    C42     120.000    3.000
 737      H43    C43    C42     120.000    3.000
 737      C43    C42    H42     120.000    3.000
 737      C43    C42    C41     120.000    3.000
 737      H42    C42    C41     120.000    3.000
 737      C42    C41    H41     120.000    3.000
 737      C42    C41    C40     120.000    3.000
 737      H41    C41    C40     120.000    3.000
 737      C45    C40    C39     120.000    3.000
 737      C45    C40    C41     120.000    3.000
 737      C39    C40    C41     120.000    3.000
 737      C40    C39    H39     120.000    3.000
 737      C40    C39    C38     120.000    3.000
 737      H39    C39    C38     120.000    3.000
 737      C39    C38    H38     120.000    3.000
 737      C39    C38    C37     120.000    3.000
 737      H38    C38    C37     120.000    3.000
 737      C38    C37    H37     120.000    3.000
 737      C38    C37    C36     120.000    3.000
 737      H37    C37    C36     120.000    3.000
 737      C20    C19    H19     120.000    3.000
 737      C20    C19    N18     120.000    3.000
 737      H19    C19    N18     120.000    3.000
 737      C19    N18    C17     120.000    3.000
 737      C21    N16    C17     120.000    3.000
 737      C21    N16    C15     120.000    3.000
 737      C17    N16    C15     120.000    3.000
 737      N16    C17    C23     120.000    3.000
 737      N16    C17    N18     120.000    3.000
 737      C23    C17    N18     120.000    3.000
 737      C17    C23    C28     120.000    3.000
 737      C17    C23    C24     120.000    3.000
 737      C28    C23    C24     120.000    3.000
 737      C23    C28    H28     120.000    3.000
 737      C23    C28    C27     120.000    3.000
 737      H28    C28    C27     120.000    3.000
 737      C28    C27    C29     120.000    3.000
 737      C28    C27    C26     120.000    3.000
 737      C29    C27    C26     120.000    3.000
 737      C27    C29    H293    109.470    3.000
 737      C27    C29    H292    109.470    3.000
 737      C27    C29    H291    109.470    3.000
 737      H293   C29    H292    109.470    3.000
 737      H293   C29    H291    109.470    3.000
 737      H292   C29    H291    109.470    3.000
 737      C27    C26    H26     120.000    3.000
 737      C27    C26    C25     120.000    3.000
 737      H26    C26    C25     120.000    3.000
 737      C26    C25    H25     120.000    3.000
 737      C26    C25    C24     120.000    3.000
 737      H25    C25    C24     120.000    3.000
 737      C25    C24    H24     120.000    3.000
 737      C25    C24    C23     120.000    3.000
 737      H24    C24    C23     120.000    3.000
 737      N16    C15    H151    109.470    3.000
 737      N16    C15    H152    109.470    3.000
 737      N16    C15    C13     109.500    3.000
 737      H151   C15    H152    107.900    3.000
 737      H151   C15    C13     109.470    3.000
 737      H152   C15    C13     109.470    3.000
 737      C15    C13    O14     120.500    3.000
 737      C15    C13    N05     116.500    3.000
 737      O14    C13    N05     123.000    3.000
 737      C13    N05    H05     120.000    3.000
 737      C13    N05    CY      121.500    3.000
 737      H05    N05    CY      118.500    3.000
 737      N05    CY     HY      108.550    3.000
 737      N05    CY     CX      111.600    3.000
 737      N05    CY     C06     110.000    3.000
 737      HY     CY     CX      108.810    3.000
 737      HY     CY     C06     108.340    3.000
 737      CX     CY     C06     109.470    3.000
 737      CY     CX     OX      120.500    3.000
 737      CY     CX     CZ      120.000    3.000
 737      OX     CX     CZ      120.500    3.000
 737      CX     CZ     S34     108.000    3.000
 737      CX     CZ     N31     126.000    3.000
 737      S34    CZ     N31     108.000    3.000
 737      CZ     S34    C33      87.732    3.000
 737      S34    C33    H33     108.000    3.000
 737      S34    C33    C32     108.000    3.000
 737      H33    C33    C32     126.000    3.000
 737      C33    C32    H32     126.000    3.000
 737      C33    C32    N31     108.000    3.000
 737      H32    C32    N31     126.000    3.000
 737      C32    N31    CZ      108.000    3.000
 737      CY     C06    H061    109.470    3.000
 737      CY     C06    H062    109.470    3.000
 737      CY     C06    C07     111.000    3.000
 737      H061   C06    H062    107.900    3.000
 737      H061   C06    C07     109.470    3.000
 737      H062   C06    C07     109.470    3.000
 737      C06    C07    H071    109.470    3.000
 737      C06    C07    H072    109.470    3.000
 737      C06    C07    C08     111.000    3.000
 737      H071   C07    H072    107.900    3.000
 737      H071   C07    C08     109.470    3.000
 737      H072   C07    C08     109.470    3.000
 737      C07    C08    H081    109.470    3.000
 737      C07    C08    H082    109.470    3.000
 737      C07    C08    N09     112.000    3.000
 737      H081   C08    H082    107.900    3.000
 737      H081   C08    N09     109.470    3.000
 737      H082   C08    N09     109.470    3.000
 737      C08    N09    H09     118.500    3.000
 737      C08    N09    C10     121.500    3.000
 737      H09    N09    C10     120.000    3.000
 737      N09    C10    N12     120.000    3.000
 737      N09    C10    N11     120.000    3.000
 737      N12    C10    N11     120.000    3.000
 737      C10    N12    H12     120.000    3.000
 737      C10    N11    H112    120.000    3.000
 737      C10    N11    H111    120.000    3.000
 737      H112   N11    H111    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
 737      CONST_1  O30    C21    C20    C19      180.000    0.000   0
 737      var_1    C21    C20    N22    C35      179.877   20.000   1
 737      var_2    C20    N22    C35    C36     -177.996   20.000   3
 737      var_3    N22    C35    C36    C45       90.064   20.000   2
 737      CONST_2  C35    C36    C37    C38      180.000    0.000   0
 737      CONST_3  C35    C36    C45    C40      180.000    0.000   0
 737      CONST_4  C36    C45    N44    C43      180.000    0.000   0
 737      CONST_5  C45    N44    C43    C42        0.000    0.000   0
 737      CONST_6  N44    C43    C42    C41        0.000    0.000   0
 737      CONST_7  C43    C42    C41    C40        0.000    0.000   0
 737      CONST_8  C36    C45    C40    C39        0.000    0.000   0
 737      CONST_9  C45    C40    C41    C42        0.000    0.000   0
 737      CONST_10 C45    C40    C39    C38        0.000    0.000   0
 737      CONST_11 C40    C39    C38    C37        0.000    0.000   0
 737      CONST_12 C39    C38    C37    C36        0.000    0.000   0
 737      CONST_13 C21    C20    C19    N18        0.000    0.000   0
 737      CONST_14 C20    C19    N18    C17        0.000    0.000   0
 737      CONST_15 O30    C21    N16    C15        0.000    0.000   0
 737      CONST_16 C21    N16    C17    C23      180.000    0.000   0
 737      CONST_17 N16    C17    N18    C19        0.000    0.000   0
 737      CONST_18 N16    C17    C23    C28      180.000    0.000   0
 737      CONST_19 C17    C23    C24    C25      180.000    0.000   0
 737      CONST_20 C17    C23    C28    C27      180.000    0.000   0
 737      CONST_21 C23    C28    C27    C26        0.000    0.000   0
 737      var_4    C28    C27    C29    H291      56.007   20.000   1
 737      CONST_22 C28    C27    C26    C25        0.000    0.000   0
 737      CONST_23 C27    C26    C25    C24        0.000    0.000   0
 737      CONST_24 C26    C25    C24    C23        0.000    0.000   0
 737      var_5    C21    N16    C15    C13      -89.637   20.000   1
 737      var_6    N16    C15    C13    N05     -149.958   20.000   3
 737      CONST_25 C15    C13    N05    CY       180.000    0.000   0
 737      var_7    C13    N05    CY     C06       91.687   20.000   3
 737      var_8    N05    CY     CX     CZ       144.008   20.000   3
 737      var_9    CY     CX     CZ     S34      179.902   20.000   1
 737      CONST_26 CX     CZ     N31    C32      180.000    0.000   0
 737      CONST_27 CX     CZ     S34    C33      180.000    0.000   0
 737      CONST_28 CZ     S34    C33    C32        0.000    0.000   0
 737      CONST_29 S34    C33    C32    N31        0.000    0.000   0
 737      CONST_30 C33    C32    N31    CZ         0.000    0.000   0
 737      var_10   N05    CY     C06    C07      -59.393   20.000   3
 737      var_11   CY     C06    C07    C08      177.710   20.000   3
 737      var_12   C06    C07    C08    N09      178.158   20.000   3
 737      var_13   C07    C08    N09    C10     -177.547   20.000   3
 737      CONST_31 C08    N09    C10    N11        0.000    0.000   0
 737      CONST_32 N09    C10    N12    H12        0.000    0.000   0
 737      CONST_33 N09    C10    N11    H111       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
 737      chir_01  CY     CX     N05    C06       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
 737      plan-1    CX        0.020
 737      plan-1    CY        0.020
 737      plan-1    CZ        0.020
 737      plan-1    OX        0.020
 737      plan-2    CZ        0.020
 737      plan-2    CX        0.020
 737      plan-2    N31       0.020
 737      plan-2    S34       0.020
 737      plan-2    C32       0.020
 737      plan-2    C33       0.020
 737      plan-2    H32       0.020
 737      plan-2    H33       0.020
 737      plan-3    N05       0.020
 737      plan-3    CY        0.020
 737      plan-3    C13       0.020
 737      plan-3    H05       0.020
 737      plan-4    N09       0.020
 737      plan-4    C08       0.020
 737      plan-4    C10       0.020
 737      plan-4    H09       0.020
 737      plan-5    C10       0.020
 737      plan-5    N09       0.020
 737      plan-5    N11       0.020
 737      plan-5    N12       0.020
 737      plan-5    H12       0.020
 737      plan-5    H09       0.020
 737      plan-5    H112      0.020
 737      plan-5    H111      0.020
 737      plan-6    N11       0.020
 737      plan-6    C10       0.020
 737      plan-6    H111      0.020
 737      plan-6    H112      0.020
 737      plan-7    C13       0.020
 737      plan-7    N05       0.020
 737      plan-7    O14       0.020
 737      plan-7    C15       0.020
 737      plan-7    H05       0.020
 737      plan-8    N16       0.020
 737      plan-8    C15       0.020
 737      plan-8    C17       0.020
 737      plan-8    C21       0.020
 737      plan-8    N18       0.020
 737      plan-8    C19       0.020
 737      plan-8    C20       0.020
 737      plan-8    C23       0.020
 737      plan-8    H19       0.020
 737      plan-8    N22       0.020
 737      plan-8    O30       0.020
 737      plan-8    H22       0.020
 737      plan-9    N22       0.020
 737      plan-9    C20       0.020
 737      plan-9    C35       0.020
 737      plan-9    H22       0.020
 737      plan-10   C23       0.020
 737      plan-10   C17       0.020
 737      plan-10   C24       0.020
 737      plan-10   C28       0.020
 737      plan-10   C25       0.020
 737      plan-10   C26       0.020
 737      plan-10   C27       0.020
 737      plan-10   H24       0.020
 737      plan-10   H25       0.020
 737      plan-10   H26       0.020
 737      plan-10   C29       0.020
 737      plan-10   H28       0.020
 737      plan-11   C36       0.020
 737      plan-11   C35       0.020
 737      plan-11   C37       0.020
 737      plan-11   C45       0.020
 737      plan-11   C38       0.020
 737      plan-11   C39       0.020
 737      plan-11   H37       0.020
 737      plan-11   H38       0.020
 737      plan-11   C40       0.020
 737      plan-11   H39       0.020
 737      plan-11   C41       0.020
 737      plan-11   C42       0.020
 737      plan-11   C43       0.020
 737      plan-11   N44       0.020
 737      plan-11   H41       0.020
 737      plan-11   H42       0.020
 737      plan-11   H43       0.020
# ------------------------------------------------------