File: 213.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
213      213 '.                                   ' non-polymer        76  47 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_213
#
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
 213           O72    O    O         0.000      0.000    0.000    0.000
 213           P71    P    P         0.000     -0.338    0.380   -1.390
 213           O73    O    OH1       0.000      1.018    0.636   -2.221
 213           H73    H    H         0.000      1.664   -0.076   -2.324
 213           O74    O    OH1       0.000     -1.175   -0.807   -2.083
 213           H74    H    H         0.000     -1.475   -0.717   -2.998
 213           C63    C    CR6       0.000     -1.334    1.895   -1.377
 213           C62    C    CR16      0.000     -2.595    1.886   -0.816
 213           H62    H    H         0.000     -2.991    0.974   -0.387
 213           C64    C    CR16      0.000     -0.831    3.057   -1.935
 213           H64    H    H         0.000      0.157    3.059   -2.378
 213           C65    C    CR16      0.000     -1.585    4.217   -1.928
 213           H65    H    H         0.000     -1.187    5.124   -2.366
 213           C66    C    CR16      0.000     -2.845    4.220   -1.365
 213           H66    H    H         0.000     -3.435    5.128   -1.360
 213           C61    C    CR6       0.000     -3.357    3.053   -0.802
 213           C24    C    CR6       0.000     -4.711    3.051   -0.194
 213           C25    C    CR16      0.000     -5.729    3.821   -0.752
 213           H25    H    H         0.000     -5.534    4.424   -1.631
 213           C20    C    CR16      0.000     -6.986    3.816   -0.182
 213           H20    H    H         0.000     -7.778    4.415   -0.614
 213           C23    C    CR16      0.000     -4.970    2.274    0.933
 213           H23    H    H         0.000     -4.185    1.666    1.366
 213           C22    C    CR16      0.000     -6.229    2.279    1.497
 213           H22    H    H         0.000     -6.429    1.682    2.378
 213           C21    C    CR6       0.000     -7.236    3.046    0.940
 213           C32    C    CH2       0.000     -8.612    3.043    1.556
 213           H321   H    H         0.000     -9.123    3.975    1.308
 213           H322   H    H         0.000     -8.523    2.956    2.641
 213           C30    C    CT        0.000     -9.413    1.859    1.012
 213           C4     C    CR6       0.000    -10.822    1.920    1.540
 213           C3     C    CR16      0.000    -11.046    2.019    2.900
 213           H3     H    H         0.000    -10.209    2.052    3.586
 213           C2     C    CR16      0.000    -12.339    2.075    3.386
 213           H2     H    H         0.000    -12.514    2.152    4.452
 213           C5     C    CR16      0.000    -11.892    1.884    0.665
 213           H5     H    H         0.000    -11.716    1.815   -0.402
 213           C6     C    CR16      0.000    -13.185    1.935    1.150
 213           H6     H    H         0.000    -14.022    1.899    0.464
 213           C1     C    CR16      0.000    -13.409    2.033    2.511
 213           H1     H    H         0.000    -14.422    2.076    2.891
 213           N31    N    NR5       0.000     -9.437    1.920   -0.453
 213           N47    N    NRD5      0.000     -9.011    0.921   -1.341
 213           N46    N    NRD5      0.000     -9.183    1.323   -2.551
 213           C42    C    CR56      0.000     -9.712    2.563   -2.562
 213           C41    C    CR16      0.000    -10.084    3.435   -3.592
 213           H41    H    H         0.000     -9.956    3.138   -4.626
 213           C43    C    CR56      0.000     -9.889    2.962   -1.226
 213           C44    C    CR16      0.000    -10.418    4.217   -0.942
 213           H44    H    H         0.000    -10.548    4.532    0.086
 213           C45    C    CR16      0.000    -10.776    5.055   -1.973
 213           H45    H    H         0.000    -11.192    6.031   -1.753
 213           C40    C    CR16      0.000    -10.608    4.659   -3.293
 213           H40    H    H         0.000    -10.895    5.328   -4.094
 213           C35    C    CH2       0.000     -8.756    0.551    1.457
 213           H351   H    H         0.000     -8.642    0.552    2.543
 213           H352   H    H         0.000     -7.774    0.459    0.989
 213           C11    C    CR6       0.000     -9.622   -0.611    1.043
 213           C12    C    CR16      0.000    -10.701   -0.983    1.824
 213           H12    H    H         0.000    -10.922   -0.441    2.735
 213           C13    C    CR16      0.000    -11.497   -2.046    1.442
 213           H13    H    H         0.000    -12.346   -2.332    2.051
 213           C14    C    CR6       0.000    -11.210   -2.744    0.284
 213           C15    C    CR16      0.000    -10.128   -2.376   -0.494
 213           H15    H    H         0.000     -9.902   -2.923   -1.401
 213           C10    C    CR16      0.000     -9.335   -1.310   -0.115
 213           H10    H    H         0.000     -8.487   -1.022   -0.724
 213           C52    C    CT        0.000    -12.076   -3.906   -0.131
 213           F53    F    F         0.000    -13.404   -3.645    0.223
 213           F54    F    F         0.000    -11.987   -4.082   -1.515
 213           P55    P    P         0.000    -11.508   -5.419    0.713
 213           O57    O    O         0.000    -12.280   -6.579    0.217
 213           O58    O    OH1       0.000    -11.731   -5.264    2.300
 213           H58    H    H         0.000    -11.480   -5.983    2.896
 213           O56    O    OH1       0.000     -9.942   -5.646    0.411
 213           H56    H    H         0.000     -9.297   -4.975    0.673
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
 213      O72    n/a    P71    START
 213      P71    O72    C63    .
 213      O73    P71    H73    .
 213      H73    O73    .      .
 213      O74    P71    H74    .
 213      H74    O74    .      .
 213      C63    P71    C64    .
 213      C62    C63    H62    .
 213      H62    C62    .      .
 213      C64    C63    C65    .
 213      H64    C64    .      .
 213      C65    C64    C66    .
 213      H65    C65    .      .
 213      C66    C65    C61    .
 213      H66    C66    .      .
 213      C61    C66    C24    .
 213      C24    C61    C23    .
 213      C25    C24    C20    .
 213      H25    C25    .      .
 213      C20    C25    H20    .
 213      H20    C20    .      .
 213      C23    C24    C22    .
 213      H23    C23    .      .
 213      C22    C23    C21    .
 213      H22    C22    .      .
 213      C21    C22    C32    .
 213      C32    C21    C30    .
 213      H321   C32    .      .
 213      H322   C32    .      .
 213      C30    C32    C35    .
 213      C4     C30    C5     .
 213      C3     C4     C2     .
 213      H3     C3     .      .
 213      C2     C3     H2     .
 213      H2     C2     .      .
 213      C5     C4     C6     .
 213      H5     C5     .      .
 213      C6     C5     C1     .
 213      H6     C6     .      .
 213      C1     C6     H1     .
 213      H1     C1     .      .
 213      N31    C30    C43    .
 213      N47    N31    N46    .
 213      N46    N47    C42    .
 213      C42    N46    C41    .
 213      C41    C42    H41    .
 213      H41    C41    .      .
 213      C43    N31    C44    .
 213      C44    C43    C45    .
 213      H44    C44    .      .
 213      C45    C44    C40    .
 213      H45    C45    .      .
 213      C40    C45    H40    .
 213      H40    C40    .      .
 213      C35    C30    C11    .
 213      H351   C35    .      .
 213      H352   C35    .      .
 213      C11    C35    C12    .
 213      C12    C11    C13    .
 213      H12    C12    .      .
 213      C13    C12    C14    .
 213      H13    C13    .      .
 213      C14    C13    C52    .
 213      C15    C14    C10    .
 213      H15    C15    .      .
 213      C10    C15    H10    .
 213      H10    C10    .      .
 213      C52    C14    P55    .
 213      F53    C52    .      .
 213      F54    C52    .      .
 213      P55    C52    O56    .
 213      O57    P55    .      .
 213      O58    P55    H58    .
 213      H58    O58    .      .
 213      O56    P55    H56    .
 213      H56    O56    .      END
 213      C1     C2     .    ADD
 213      C10    C11    .    ADD
 213      C20    C21    .    ADD
 213      C40    C41    .    ADD
 213      C42    C43    .    ADD
 213      C61    C62    .    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
 213      C1     C2        double      1.390    0.020
 213      C1     C6        single      1.390    0.020
 213      H1     C1        single      1.083    0.020
 213      C2     C3        single      1.390    0.020
 213      H2     C2        single      1.083    0.020
 213      C3     C4        double      1.390    0.020
 213      H3     C3        single      1.083    0.020
 213      C5     C4        single      1.390    0.020
 213      C4     C30       single      1.500    0.020
 213      C6     C5        double      1.390    0.020
 213      H5     C5        single      1.083    0.020
 213      H6     C6        single      1.083    0.020
 213      C10    C11       double      1.390    0.020
 213      C10    C15       single      1.390    0.020
 213      H10    C10       single      1.083    0.020
 213      C12    C11       single      1.390    0.020
 213      C11    C35       single      1.511    0.020
 213      C13    C12       double      1.390    0.020
 213      H12    C12       single      1.083    0.020
 213      C14    C13       single      1.390    0.020
 213      H13    C13       single      1.083    0.020
 213      C15    C14       double      1.390    0.020
 213      C52    C14       single      1.500    0.020
 213      H15    C15       single      1.083    0.020
 213      C20    C21       double      1.390    0.020
 213      C20    C25       single      1.390    0.020
 213      H20    C20       single      1.083    0.020
 213      C21    C22       single      1.390    0.020
 213      C32    C21       single      1.511    0.020
 213      C22    C23       double      1.390    0.020
 213      H22    C22       single      1.083    0.020
 213      C23    C24       single      1.390    0.020
 213      H23    C23       single      1.083    0.020
 213      C25    C24       double      1.390    0.020
 213      C24    C61       single      1.487    0.020
 213      H25    C25       single      1.083    0.020
 213      N31    C30       single      1.485    0.020
 213      C30    C32       single      1.524    0.020
 213      C35    C30       single      1.524    0.020
 213      C43    N31       single      1.337    0.020
 213      N47    N31       single      1.402    0.020
 213      H321   C32       single      1.092    0.020
 213      H322   C32       single      1.092    0.020
 213      H351   C35       single      1.092    0.020
 213      H352   C35       single      1.092    0.020
 213      C40    C41       double      1.390    0.020
 213      C40    C45       single      1.390    0.020
 213      H40    C40       single      1.083    0.020
 213      C41    C42       single      1.390    0.020
 213      H41    C41       single      1.083    0.020
 213      C42    C43       double      1.490    0.020
 213      C42    N46       single      1.350    0.020
 213      C44    C43       single      1.390    0.020
 213      C45    C44       double      1.390    0.020
 213      H44    C44       single      1.083    0.020
 213      H45    C45       single      1.083    0.020
 213      N46    N47       double      1.404    0.020
 213      F53    C52       single      1.320    0.020
 213      F54    C52       single      1.320    0.020
 213      P55    C52       single      1.812    0.020
 213      O56    P55       single      1.610    0.020
 213      O57    P55       double      1.480    0.020
 213      O58    P55       single      1.610    0.020
 213      H56    O56       single      0.967    0.020
 213      H58    O58       single      0.967    0.020
 213      C61    C62       double      1.390    0.020
 213      C61    C66       single      1.390    0.020
 213      C62    C63       single      1.390    0.020
 213      H62    C62       single      1.083    0.020
 213      C64    C63       double      1.390    0.020
 213      C63    P71       single      1.745    0.020
 213      C65    C64       single      1.390    0.020
 213      H64    C64       single      1.083    0.020
 213      C66    C65       double      1.390    0.020
 213      H65    C65       single      1.083    0.020
 213      H66    C66       single      1.083    0.020
 213      P71    O72       double      1.480    0.020
 213      O73    P71       single      1.610    0.020
 213      O74    P71       single      1.610    0.020
 213      H73    O73       single      0.967    0.020
 213      H74    O74       single      0.967    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
 213      O72    P71    O73     109.500    3.000
 213      O72    P71    O74     109.500    3.000
 213      O72    P71    C63     109.500    3.000
 213      O73    P71    O74     109.500    3.000
 213      O73    P71    C63     109.500    3.000
 213      O74    P71    C63     109.500    3.000
 213      P71    O73    H73     120.000    3.000
 213      P71    O74    H74     120.000    3.000
 213      P71    C63    C62     120.000    3.000
 213      P71    C63    C64     120.000    3.000
 213      C62    C63    C64     120.000    3.000
 213      C63    C62    H62     120.000    3.000
 213      C63    C62    C61     120.000    3.000
 213      H62    C62    C61     120.000    3.000
 213      C63    C64    H64     120.000    3.000
 213      C63    C64    C65     120.000    3.000
 213      H64    C64    C65     120.000    3.000
 213      C64    C65    H65     120.000    3.000
 213      C64    C65    C66     120.000    3.000
 213      H65    C65    C66     120.000    3.000
 213      C65    C66    H66     120.000    3.000
 213      C65    C66    C61     120.000    3.000
 213      H66    C66    C61     120.000    3.000
 213      C66    C61    C24     120.000    3.000
 213      C66    C61    C62     120.000    3.000
 213      C24    C61    C62     120.000    3.000
 213      C61    C24    C25     120.000    3.000
 213      C61    C24    C23     120.000    3.000
 213      C25    C24    C23     120.000    3.000
 213      C24    C25    H25     120.000    3.000
 213      C24    C25    C20     120.000    3.000
 213      H25    C25    C20     120.000    3.000
 213      C25    C20    H20     120.000    3.000
 213      C25    C20    C21     120.000    3.000
 213      H20    C20    C21     120.000    3.000
 213      C24    C23    H23     120.000    3.000
 213      C24    C23    C22     120.000    3.000
 213      H23    C23    C22     120.000    3.000
 213      C23    C22    H22     120.000    3.000
 213      C23    C22    C21     120.000    3.000
 213      H22    C22    C21     120.000    3.000
 213      C22    C21    C32     120.000    3.000
 213      C22    C21    C20     120.000    3.000
 213      C32    C21    C20     120.000    3.000
 213      C21    C32    H321    109.470    3.000
 213      C21    C32    H322    109.470    3.000
 213      C21    C32    C30     109.470    3.000
 213      H321   C32    H322    107.900    3.000
 213      H321   C32    C30     109.470    3.000
 213      H322   C32    C30     109.470    3.000
 213      C32    C30    C4      109.500    3.000
 213      C32    C30    N31     109.500    3.000
 213      C32    C30    C35     111.000    3.000
 213      C4     C30    N31     109.500    3.000
 213      C4     C30    C35     109.500    3.000
 213      N31    C30    C35     109.500    3.000
 213      C30    C4     C3      120.000    3.000
 213      C30    C4     C5      120.000    3.000
 213      C3     C4     C5      120.000    3.000
 213      C4     C3     H3      120.000    3.000
 213      C4     C3     C2      120.000    3.000
 213      H3     C3     C2      120.000    3.000
 213      C3     C2     H2      120.000    3.000
 213      C3     C2     C1      120.000    3.000
 213      H2     C2     C1      120.000    3.000
 213      C4     C5     H5      120.000    3.000
 213      C4     C5     C6      120.000    3.000
 213      H5     C5     C6      120.000    3.000
 213      C5     C6     H6      120.000    3.000
 213      C5     C6     C1      120.000    3.000
 213      H6     C6     C1      120.000    3.000
 213      C6     C1     H1      120.000    3.000
 213      C6     C1     C2      120.000    3.000
 213      H1     C1     C2      120.000    3.000
 213      C30    N31    N47     108.000    3.000
 213      C30    N31    C43     108.000    3.000
 213      N47    N31    C43     108.000    3.000
 213      N31    N47    N46     108.000    3.000
 213      N47    N46    C42     108.000    3.000
 213      N46    C42    C41     132.000    3.000
 213      N46    C42    C43     108.000    3.000
 213      C41    C42    C43     120.000    3.000
 213      C42    C41    H41     120.000    3.000
 213      C42    C41    C40     120.000    3.000
 213      H41    C41    C40     120.000    3.000
 213      N31    C43    C44     132.000    3.000
 213      N31    C43    C42     108.000    3.000
 213      C44    C43    C42     120.000    3.000
 213      C43    C44    H44     120.000    3.000
 213      C43    C44    C45     120.000    3.000
 213      H44    C44    C45     120.000    3.000
 213      C44    C45    H45     120.000    3.000
 213      C44    C45    C40     120.000    3.000
 213      H45    C45    C40     120.000    3.000
 213      C45    C40    H40     120.000    3.000
 213      C45    C40    C41     120.000    3.000
 213      H40    C40    C41     120.000    3.000
 213      C30    C35    H351    109.470    3.000
 213      C30    C35    H352    109.470    3.000
 213      C30    C35    C11     109.470    3.000
 213      H351   C35    H352    107.900    3.000
 213      H351   C35    C11     109.470    3.000
 213      H352   C35    C11     109.470    3.000
 213      C35    C11    C12     120.000    3.000
 213      C35    C11    C10     120.000    3.000
 213      C12    C11    C10     120.000    3.000
 213      C11    C12    H12     120.000    3.000
 213      C11    C12    C13     120.000    3.000
 213      H12    C12    C13     120.000    3.000
 213      C12    C13    H13     120.000    3.000
 213      C12    C13    C14     120.000    3.000
 213      H13    C13    C14     120.000    3.000
 213      C13    C14    C15     120.000    3.000
 213      C13    C14    C52     120.000    3.000
 213      C15    C14    C52     120.000    3.000
 213      C14    C15    H15     120.000    3.000
 213      C14    C15    C10     120.000    3.000
 213      H15    C15    C10     120.000    3.000
 213      C15    C10    H10     120.000    3.000
 213      C15    C10    C11     120.000    3.000
 213      H10    C10    C11     120.000    3.000
 213      C14    C52    F53     109.470    3.000
 213      C14    C52    F54     109.470    3.000
 213      C14    C52    P55     109.500    3.000
 213      F53    C52    F54     109.470    3.000
 213      F53    C52    P55     109.500    3.000
 213      F54    C52    P55     109.500    3.000
 213      C52    P55    O57     109.500    3.000
 213      C52    P55    O58     109.500    3.000
 213      C52    P55    O56     109.500    3.000
 213      O57    P55    O58     109.500    3.000
 213      O57    P55    O56     109.500    3.000
 213      O58    P55    O56     109.500    3.000
 213      P55    O58    H58     120.000    3.000
 213      P55    O56    H56     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
 213      var_1    O72    P71    O73    H73       60.005   20.000   1
 213      var_2    O72    P71    O74    H74     -179.965   20.000   1
 213      var_3    O72    P71    C63    C64      114.952   20.000   1
 213      CONST_1  P71    C63    C62    C61      180.000    0.000   0
 213      CONST_2  P71    C63    C64    C65      180.000    0.000   0
 213      CONST_3  C63    C64    C65    C66        0.000    0.000   0
 213      CONST_4  C64    C65    C66    C61        0.000    0.000   0
 213      CONST_5  C65    C66    C61    C24      180.000    0.000   0
 213      CONST_6  C66    C61    C62    C63        0.000    0.000   0
 213      CONST_7  C66    C61    C24    C23      180.000    0.000   0
 213      CONST_8  C61    C24    C25    C20      180.000    0.000   0
 213      CONST_9  C24    C25    C20    C21        0.000    0.000   0
 213      CONST_10 C25    C20    C21    C22        0.000    0.000   0
 213      CONST_11 C61    C24    C23    C22      180.000    0.000   0
 213      CONST_12 C24    C23    C22    C21        0.000    0.000   0
 213      CONST_13 C23    C22    C21    C32      180.000    0.000   0
 213      var_4    C22    C21    C32    C30      -85.046   20.000   2
 213      var_5    C21    C32    C30    C35       64.525   20.000   1
 213      var_6    C32    C30    C4     C5       126.381   20.000   1
 213      CONST_14 C30    C4     C3     C2       180.000    0.000   0
 213      CONST_15 C4     C3     C2     C1         0.000    0.000   0
 213      CONST_16 C30    C4     C5     C6       180.000    0.000   0
 213      CONST_17 C4     C5     C6     C1         0.000    0.000   0
 213      CONST_18 C5     C6     C1     C2         0.000    0.000   0
 213      CONST_19 C6     C1     C2     C3         0.000    0.000   0
 213      var_7    C32    C30    N31    C43      -56.801   20.000   1
 213      CONST_20 C30    N31    N47    N46      180.000    0.000   0
 213      CONST_21 N31    N47    N46    C42        0.000    0.000   0
 213      CONST_22 N47    N46    C42    C41      180.000    0.000   0
 213      CONST_23 N46    C42    C43    N31        0.000    0.000   0
 213      CONST_24 N46    C42    C41    C40      180.000    0.000   0
 213      CONST_25 C30    N31    C43    C44        0.000    0.000   0
 213      CONST_26 N31    C43    C44    C45      180.000    0.000   0
 213      CONST_27 C43    C44    C45    C40        0.000    0.000   0
 213      CONST_28 C44    C45    C40    C41        0.000    0.000   0
 213      CONST_29 C45    C40    C41    C42        0.000    0.000   0
 213      var_8    C32    C30    C35    C11      174.171   20.000   1
 213      var_9    C30    C35    C11    C12      -82.454   20.000   2
 213      CONST_30 C35    C11    C12    C13      180.000    0.000   0
 213      CONST_31 C11    C12    C13    C14        0.000    0.000   0
 213      CONST_32 C12    C13    C14    C52      180.000    0.000   0
 213      CONST_33 C13    C14    C15    C10        0.000    0.000   0
 213      CONST_34 C14    C15    C10    C11        0.000    0.000   0
 213      CONST_35 C15    C10    C11    C35      180.000    0.000   0
 213      var_10   C13    C14    C52    P55      -84.981   20.000   1
 213      var_11   C14    C52    P55    O56      -55.078   20.000   1
 213      var_12   C52    P55    O58    H58     -179.988   20.000   1
 213      var_13   C52    P55    O56    H56       59.956   20.000   1
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
 213      chir_01  C30    C4     N31    C32       negativ
 213      chir_02  C52    C14    F53    F54       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
 213      plan-1    C1        0.020
 213      plan-1    C2        0.020
 213      plan-1    C6        0.020
 213      plan-1    H1        0.020
 213      plan-1    C3        0.020
 213      plan-1    C4        0.020
 213      plan-1    C5        0.020
 213      plan-1    H2        0.020
 213      plan-1    H3        0.020
 213      plan-1    C30       0.020
 213      plan-1    H5        0.020
 213      plan-1    H6        0.020
 213      plan-2    C10       0.020
 213      plan-2    C11       0.020
 213      plan-2    C15       0.020
 213      plan-2    H10       0.020
 213      plan-2    C12       0.020
 213      plan-2    C13       0.020
 213      plan-2    C14       0.020
 213      plan-2    C35       0.020
 213      plan-2    H12       0.020
 213      plan-2    H13       0.020
 213      plan-2    C52       0.020
 213      plan-2    H15       0.020
 213      plan-3    C20       0.020
 213      plan-3    C21       0.020
 213      plan-3    C25       0.020
 213      plan-3    H20       0.020
 213      plan-3    C22       0.020
 213      plan-3    C23       0.020
 213      plan-3    C24       0.020
 213      plan-3    C32       0.020
 213      plan-3    H22       0.020
 213      plan-3    H23       0.020
 213      plan-3    C61       0.020
 213      plan-3    H25       0.020
 213      plan-4    N31       0.020
 213      plan-4    C30       0.020
 213      plan-4    C43       0.020
 213      plan-4    N47       0.020
 213      plan-4    N46       0.020
 213      plan-4    C42       0.020
 213      plan-4    C44       0.020
 213      plan-4    C45       0.020
 213      plan-4    H44       0.020
 213      plan-4    C40       0.020
 213      plan-4    H45       0.020
 213      plan-4    C41       0.020
 213      plan-4    H40       0.020
 213      plan-4    H41       0.020
 213      plan-5    C61       0.020
 213      plan-5    C24       0.020
 213      plan-5    C62       0.020
 213      plan-5    C66       0.020
 213      plan-5    C63       0.020
 213      plan-5    C64       0.020
 213      plan-5    C65       0.020
 213      plan-5    H62       0.020
 213      plan-5    P71       0.020
 213      plan-5    H64       0.020
 213      plan-5    H65       0.020
 213      plan-5    H66       0.020
# ------------------------------------------------------