File: GS3.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
GS3      GS3 '2-fluoro-6-{[2-({2-methoxy-4-[4-(1-m' non-polymer        69  38 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GS3
#
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
 GS3           O2     O    O         0.000      0.000    0.000    0.000
 GS3           C16    C    C         0.000     -0.291    0.090    1.177
 GS3           N4     N    NH2       0.000      0.332   -0.685    2.087
 GS3           HN4A   H    H         0.000      1.044   -1.345    1.794
 GS3           HN4    H    H         0.000      0.094   -0.614    3.068
 GS3           C15    C    CR6       0.000     -1.326    1.045    1.609
 GS3           C14    C    CR6       0.000     -0.975    2.355    1.955
 GS3           F1     F    F         0.000      0.316    2.748    1.895
 GS3           C13    C    CR16      0.000     -1.950    3.243    2.364
 GS3           H13    H    H         0.000     -1.678    4.255    2.636
 GS3           C12    C    CR16      0.000     -3.275    2.845    2.429
 GS3           H12    H    H         0.000     -4.032    3.549    2.751
 GS3           C11    C    CR16      0.000     -3.636    1.558    2.085
 GS3           H11    H    H         0.000     -4.675    1.256    2.138
 GS3           C10    C    CR6       0.000     -2.672    0.650    1.671
 GS3           N3     N    NH1       0.000     -3.035   -0.647    1.325
 GS3           HN3    H    H         0.000     -2.359   -1.395    1.386
 GS3           C9     C    CR6       0.000     -4.324   -0.913    0.895
 GS3           N2     N    NRD6      0.000     -5.193    0.074    0.698
 GS3           C17    C    CR56      0.000     -4.745   -2.231    0.658
 GS3           C20    C    CR56      0.000     -6.064   -2.453    0.222
 GS3           N5     N    NR15      0.000     -6.216   -3.803    0.068
 GS3           HN5    H    H         0.000     -7.089   -4.273   -0.246
 GS3           C19    C    CR15      0.000     -5.046   -4.448    0.387
 GS3           H19    H    H         0.000     -4.895   -5.519    0.350
 GS3           C18    C    CR15      0.000     -4.118   -3.549    0.753
 GS3           H18    H    H         0.000     -3.101   -3.760    1.059
 GS3           N6     N    NRD6      0.000     -6.867   -1.404    0.056
 GS3           C8     C    CR6       0.000     -6.429   -0.177    0.287
 GS3           N1     N    NH1       0.000     -7.297    0.887    0.096
 GS3           HN1    H    H         0.000     -6.960    1.835    0.182
 GS3           C7     C    CR6       0.000     -8.644    0.646   -0.216
 GS3           C2     C    CR6       0.000     -9.384    1.610   -0.897
 GS3           O1     O    O2        0.000     -8.802    2.784   -1.260
 GS3           C1     C    CH3       0.000     -9.620    3.724   -1.961
 GS3           H1B    H    H         0.000     -9.968    3.288   -2.861
 GS3           H1A    H    H         0.000    -10.448    3.992   -1.357
 GS3           H1     H    H         0.000     -9.052    4.590   -2.184
 GS3           C6     C    CR16      0.000     -9.240   -0.548    0.158
 GS3           H6     H    H         0.000     -8.667   -1.294    0.696
 GS3           C5     C    CR16      0.000    -10.565   -0.788   -0.154
 GS3           H5     H    H         0.000    -11.028   -1.723    0.135
 GS3           C4     C    CR6       0.000    -11.303    0.169   -0.837
 GS3           C3     C    CR16      0.000    -10.711    1.369   -1.208
 GS3           H3     H    H         0.000    -11.287    2.115   -1.741
 GS3           N7     N    NT        0.000    -12.645   -0.076   -1.151
 GS3           C24    C    CH2       0.000    -13.513    0.979   -0.612
 GS3           H24    H    H         0.000    -13.187    1.949   -0.994
 GS3           H24A   H    H         0.000    -13.452    0.980    0.478
 GS3           C23    C    CH2       0.000    -14.959    0.718   -1.044
 GS3           H23    H    H         0.000    -15.024    0.747   -2.134
 GS3           H23A   H    H         0.000    -15.610    1.485   -0.621
 GS3           N8     N    NT        0.000    -15.379   -0.605   -0.562
 GS3           C25    C    CH1       0.000    -16.787   -0.862   -0.892
 GS3           H25    H    H         0.000    -17.069   -1.864   -0.539
 GS3           C27    C    CH3       0.000    -16.979   -0.783   -2.408
 GS3           H27B   H    H         0.000    -17.994   -0.970   -2.646
 GS3           H27A   H    H         0.000    -16.708    0.182   -2.750
 GS3           H27    H    H         0.000    -16.367   -1.508   -2.880
 GS3           C26    C    CH3       0.000    -17.670    0.186   -0.212
 GS3           H26B   H    H         0.000    -17.539    0.132    0.838
 GS3           H26A   H    H         0.000    -17.400    1.152   -0.551
 GS3           H26    H    H         0.000    -18.686    0.001   -0.449
 GS3           C22    C    CH2       0.000    -14.510   -1.661   -1.101
 GS3           H22    H    H         0.000    -14.571   -1.662   -2.191
 GS3           H22A   H    H         0.000    -14.835   -2.631   -0.719
 GS3           C21    C    CH2       0.000    -13.066   -1.399   -0.669
 GS3           H21A   H    H         0.000    -12.414   -2.166   -1.092
 GS3           H21    H    H         0.000    -13.001   -1.428    0.420
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
 GS3      O2     n/a    C16    START
 GS3      C16    O2     C15    .
 GS3      N4     C16    HN4    .
 GS3      HN4A   N4     .      .
 GS3      HN4    N4     .      .
 GS3      C15    C16    C10    .
 GS3      C14    C15    C13    .
 GS3      F1     C14    .      .
 GS3      C13    C14    C12    .
 GS3      H13    C13    .      .
 GS3      C12    C13    C11    .
 GS3      H12    C12    .      .
 GS3      C11    C12    H11    .
 GS3      H11    C11    .      .
 GS3      C10    C15    N3     .
 GS3      N3     C10    C9     .
 GS3      HN3    N3     .      .
 GS3      C9     N3     C17    .
 GS3      N2     C9     .      .
 GS3      C17    C9     C20    .
 GS3      C20    C17    N6     .
 GS3      N5     C20    C19    .
 GS3      HN5    N5     .      .
 GS3      C19    N5     C18    .
 GS3      H19    C19    .      .
 GS3      C18    C19    H18    .
 GS3      H18    C18    .      .
 GS3      N6     C20    C8     .
 GS3      C8     N6     N1     .
 GS3      N1     C8     C7     .
 GS3      HN1    N1     .      .
 GS3      C7     N1     C6     .
 GS3      C2     C7     O1     .
 GS3      O1     C2     C1     .
 GS3      C1     O1     H1     .
 GS3      H1B    C1     .      .
 GS3      H1A    C1     .      .
 GS3      H1     C1     .      .
 GS3      C6     C7     C5     .
 GS3      H6     C6     .      .
 GS3      C5     C6     C4     .
 GS3      H5     C5     .      .
 GS3      C4     C5     N7     .
 GS3      C3     C4     H3     .
 GS3      H3     C3     .      .
 GS3      N7     C4     C24    .
 GS3      C24    N7     C23    .
 GS3      H24    C24    .      .
 GS3      H24A   C24    .      .
 GS3      C23    C24    N8     .
 GS3      H23    C23    .      .
 GS3      H23A   C23    .      .
 GS3      N8     C23    C22    .
 GS3      C25    N8     C26    .
 GS3      H25    C25    .      .
 GS3      C27    C25    H27    .
 GS3      H27B   C27    .      .
 GS3      H27A   C27    .      .
 GS3      H27    C27    .      .
 GS3      C26    C25    H26    .
 GS3      H26B   C26    .      .
 GS3      H26A   C26    .      .
 GS3      H26    C26    .      .
 GS3      C22    N8     C21    .
 GS3      H22    C22    .      .
 GS3      H22A   C22    .      .
 GS3      C21    C22    H21    .
 GS3      H21A   C21    .      .
 GS3      H21    C21    .      END
 GS3      C2     C3     .    ADD
 GS3      C8     N2     .    ADD
 GS3      C10    C11    .    ADD
 GS3      C17    C18    .    ADD
 GS3      N7     C21    .    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
 GS3      C1     O1        single      1.426    0.020
 GS3      O1     C2        single      1.370    0.020
 GS3      C2     C3        double      1.390    0.020
 GS3      C2     C7        single      1.487    0.020
 GS3      C3     C4        single      1.390    0.020
 GS3      C4     C5        double      1.390    0.020
 GS3      N7     C4        single      1.405    0.020
 GS3      C5     C6        single      1.390    0.020
 GS3      C6     C7        double      1.390    0.020
 GS3      C7     N1        single      1.350    0.020
 GS3      N1     C8        single      1.350    0.020
 GS3      C8     N2        double      1.350    0.020
 GS3      C8     N6        single      1.350    0.020
 GS3      N2     C9        single      1.350    0.020
 GS3      C9     N3        single      1.350    0.020
 GS3      C17    C9        double      1.490    0.020
 GS3      N3     C10       single      1.350    0.020
 GS3      C10    C11       double      1.390    0.020
 GS3      C10    C15       single      1.487    0.020
 GS3      C11    C12       single      1.390    0.020
 GS3      C12    C13       double      1.390    0.020
 GS3      C13    C14       single      1.390    0.020
 GS3      F1     C14       single      1.345    0.020
 GS3      C14    C15       double      1.487    0.020
 GS3      C15    C16       single      1.500    0.020
 GS3      C16    O2        double      1.220    0.020
 GS3      N4     C16       single      1.332    0.020
 GS3      C17    C18       single      1.440    0.020
 GS3      C20    C17       single      1.490    0.020
 GS3      C18    C19       double      1.380    0.020
 GS3      C19    N5        single      1.350    0.020
 GS3      N5     C20       single      1.340    0.020
 GS3      N6     C20       double      1.355    0.020
 GS3      N7     C21       single      1.469    0.020
 GS3      C24    N7        single      1.469    0.020
 GS3      C21    C22       single      1.524    0.020
 GS3      C22    N8        single      1.469    0.020
 GS3      N8     C23       single      1.469    0.020
 GS3      C25    N8        single      1.469    0.020
 GS3      C23    C24       single      1.524    0.020
 GS3      C26    C25       single      1.524    0.020
 GS3      C27    C25       single      1.524    0.020
 GS3      H1     C1        single      1.059    0.020
 GS3      H1A    C1        single      1.059    0.020
 GS3      H1B    C1        single      1.059    0.020
 GS3      H3     C3        single      1.083    0.020
 GS3      H5     C5        single      1.083    0.020
 GS3      H6     C6        single      1.083    0.020
 GS3      HN1    N1        single      1.010    0.020
 GS3      HN3    N3        single      1.010    0.020
 GS3      H11    C11       single      1.083    0.020
 GS3      H12    C12       single      1.083    0.020
 GS3      H13    C13       single      1.083    0.020
 GS3      HN4    N4        single      1.010    0.020
 GS3      HN4A   N4        single      1.010    0.020
 GS3      H18    C18       single      1.083    0.020
 GS3      H19    C19       single      1.083    0.020
 GS3      HN5    N5        single      1.040    0.020
 GS3      H21    C21       single      1.092    0.020
 GS3      H21A   C21       single      1.092    0.020
 GS3      H22    C22       single      1.092    0.020
 GS3      H22A   C22       single      1.092    0.020
 GS3      H23    C23       single      1.092    0.020
 GS3      H23A   C23       single      1.092    0.020
 GS3      H24    C24       single      1.092    0.020
 GS3      H24A   C24       single      1.092    0.020
 GS3      H25    C25       single      1.099    0.020
 GS3      H26    C26       single      1.059    0.020
 GS3      H26A   C26       single      1.059    0.020
 GS3      H26B   C26       single      1.059    0.020
 GS3      H27    C27       single      1.059    0.020
 GS3      H27A   C27       single      1.059    0.020
 GS3      H27B   C27       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
 GS3      O2     C16    N4      123.000    3.000
 GS3      O2     C16    C15     120.500    3.000
 GS3      N4     C16    C15     120.000    3.000
 GS3      C16    N4     HN4A    120.000    3.000
 GS3      C16    N4     HN4     120.000    3.000
 GS3      HN4A   N4     HN4     120.000    3.000
 GS3      C16    C15    C14     120.000    3.000
 GS3      C16    C15    C10     120.000    3.000
 GS3      C14    C15    C10     120.000    3.000
 GS3      C15    C14    F1      120.000    3.000
 GS3      C15    C14    C13     120.000    3.000
 GS3      F1     C14    C13     120.000    3.000
 GS3      C14    C13    H13     120.000    3.000
 GS3      C14    C13    C12     120.000    3.000
 GS3      H13    C13    C12     120.000    3.000
 GS3      C13    C12    H12     120.000    3.000
 GS3      C13    C12    C11     120.000    3.000
 GS3      H12    C12    C11     120.000    3.000
 GS3      C12    C11    H11     120.000    3.000
 GS3      C12    C11    C10     120.000    3.000
 GS3      H11    C11    C10     120.000    3.000
 GS3      C15    C10    N3      120.000    3.000
 GS3      C15    C10    C11     120.000    3.000
 GS3      N3     C10    C11     120.000    3.000
 GS3      C10    N3     HN3     120.000    3.000
 GS3      C10    N3     C9      120.000    3.000
 GS3      HN3    N3     C9      120.000    3.000
 GS3      N3     C9     N2      120.000    3.000
 GS3      N3     C9     C17     120.000    3.000
 GS3      N2     C9     C17     120.000    3.000
 GS3      C9     N2     C8      120.000    3.000
 GS3      C9     C17    C20     120.000    3.000
 GS3      C9     C17    C18     132.000    3.000
 GS3      C20    C17    C18     120.000    3.000
 GS3      C17    C20    N5      108.000    3.000
 GS3      C17    C20    N6      120.000    3.000
 GS3      N5     C20    N6      132.000    3.000
 GS3      C20    N5     HN5     126.000    3.000
 GS3      C20    N5     C19     108.000    3.000
 GS3      HN5    N5     C19     126.000    3.000
 GS3      N5     C19    H19     126.000    3.000
 GS3      N5     C19    C18     108.000    3.000
 GS3      H19    C19    C18     126.000    3.000
 GS3      C19    C18    H18     126.000    3.000
 GS3      C19    C18    C17     108.000    3.000
 GS3      H18    C18    C17     108.000    3.000
 GS3      C20    N6     C8      120.000    3.000
 GS3      N6     C8     N1      120.000    3.000
 GS3      N6     C8     N2      120.000    3.000
 GS3      N1     C8     N2      120.000    3.000
 GS3      C8     N1     HN1     120.000    3.000
 GS3      C8     N1     C7      120.000    3.000
 GS3      HN1    N1     C7      120.000    3.000
 GS3      N1     C7     C2      120.000    3.000
 GS3      N1     C7     C6      120.000    3.000
 GS3      C2     C7     C6      120.000    3.000
 GS3      C7     C2     O1      120.000    3.000
 GS3      C7     C2     C3      120.000    3.000
 GS3      O1     C2     C3      120.000    3.000
 GS3      C2     O1     C1      120.000    3.000
 GS3      O1     C1     H1B     109.470    3.000
 GS3      O1     C1     H1A     109.470    3.000
 GS3      O1     C1     H1      109.470    3.000
 GS3      H1B    C1     H1A     109.470    3.000
 GS3      H1B    C1     H1      109.470    3.000
 GS3      H1A    C1     H1      109.470    3.000
 GS3      C7     C6     H6      120.000    3.000
 GS3      C7     C6     C5      120.000    3.000
 GS3      H6     C6     C5      120.000    3.000
 GS3      C6     C5     H5      120.000    3.000
 GS3      C6     C5     C4      120.000    3.000
 GS3      H5     C5     C4      120.000    3.000
 GS3      C5     C4     C3      120.000    3.000
 GS3      C5     C4     N7      120.000    3.000
 GS3      C3     C4     N7      120.000    3.000
 GS3      C4     C3     H3      120.000    3.000
 GS3      C4     C3     C2      120.000    3.000
 GS3      H3     C3     C2      120.000    3.000
 GS3      C4     N7     C24     109.500    3.000
 GS3      C4     N7     C21     109.500    3.000
 GS3      C24    N7     C21     109.470    3.000
 GS3      N7     C24    H24     109.470    3.000
 GS3      N7     C24    H24A    109.470    3.000
 GS3      N7     C24    C23     109.470    3.000
 GS3      H24    C24    H24A    107.900    3.000
 GS3      H24    C24    C23     109.470    3.000
 GS3      H24A   C24    C23     109.470    3.000
 GS3      C24    C23    H23     109.470    3.000
 GS3      C24    C23    H23A    109.470    3.000
 GS3      C24    C23    N8      109.470    3.000
 GS3      H23    C23    H23A    107.900    3.000
 GS3      H23    C23    N8      109.470    3.000
 GS3      H23A   C23    N8      109.470    3.000
 GS3      C23    N8     C25     109.470    3.000
 GS3      C23    N8     C22     109.470    3.000
 GS3      C25    N8     C22     109.470    3.000
 GS3      N8     C25    H25     109.500    3.000
 GS3      N8     C25    C27     109.500    3.000
 GS3      N8     C25    C26     109.500    3.000
 GS3      H25    C25    C27     108.340    3.000
 GS3      H25    C25    C26     108.340    3.000
 GS3      C27    C25    C26     111.000    3.000
 GS3      C25    C27    H27B    109.470    3.000
 GS3      C25    C27    H27A    109.470    3.000
 GS3      C25    C27    H27     109.470    3.000
 GS3      H27B   C27    H27A    109.470    3.000
 GS3      H27B   C27    H27     109.470    3.000
 GS3      H27A   C27    H27     109.470    3.000
 GS3      C25    C26    H26B    109.470    3.000
 GS3      C25    C26    H26A    109.470    3.000
 GS3      C25    C26    H26     109.470    3.000
 GS3      H26B   C26    H26A    109.470    3.000
 GS3      H26B   C26    H26     109.470    3.000
 GS3      H26A   C26    H26     109.470    3.000
 GS3      N8     C22    H22     109.470    3.000
 GS3      N8     C22    H22A    109.470    3.000
 GS3      N8     C22    C21     109.470    3.000
 GS3      H22    C22    H22A    107.900    3.000
 GS3      H22    C22    C21     109.470    3.000
 GS3      H22A   C22    C21     109.470    3.000
 GS3      C22    C21    H21A    109.470    3.000
 GS3      C22    C21    H21     109.470    3.000
 GS3      C22    C21    N7      109.470    3.000
 GS3      H21A   C21    H21     107.900    3.000
 GS3      H21A   C21    N7      109.470    3.000
 GS3      H21    C21    N7      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
 GS3      CONST_1  O2     C16    N4     HN4      180.000    0.000   0
 GS3      var_1    O2     C16    C15    C10       89.943   20.000   1
 GS3      CONST_2  C16    C15    C14    C13      180.000    0.000   0
 GS3      CONST_3  C15    C14    C13    C12        0.000    0.000   0
 GS3      CONST_4  C14    C13    C12    C11        0.000    0.000   0
 GS3      CONST_5  C13    C12    C11    C10        0.000    0.000   0
 GS3      CONST_6  C16    C15    C10    N3         0.000    0.000   0
 GS3      CONST_7  C15    C10    C11    C12        0.000    0.000   0
 GS3      var_2    C15    C10    N3     C9      -155.551   20.000   1
 GS3      var_3    C10    N3     C9     C17     -174.122   20.000   1
 GS3      CONST_8  N3     C9     N2     C8       180.000    0.000   0
 GS3      CONST_9  N3     C9     C17    C20      180.000    0.000   0
 GS3      CONST_10 C9     C17    C18    C19      180.000    0.000   0
 GS3      CONST_11 C9     C17    C20    N6         0.000    0.000   0
 GS3      CONST_12 C17    C20    N5     C19        0.000    0.000   0
 GS3      CONST_13 C20    N5     C19    C18        0.000    0.000   0
 GS3      CONST_14 N5     C19    C18    C17        0.000    0.000   0
 GS3      CONST_15 C17    C20    N6     C8         0.000    0.000   0
 GS3      CONST_16 C20    N6     C8     N1       180.000    0.000   0
 GS3      CONST_17 N6     C8     N2     C9         0.000    0.000   0
 GS3      var_4    N6     C8     N1     C7         5.766   20.000   1
 GS3      var_5    C8     N1     C7     C6        25.059   20.000   1
 GS3      CONST_18 N1     C7     C2     O1         0.000    0.000   0
 GS3      CONST_19 C7     C2     C3     C4         0.000    0.000   0
 GS3      var_6    C7     C2     O1     C1       179.729   20.000   1
 GS3      var_7    C2     O1     C1     H1      -179.994   20.000   1
 GS3      CONST_20 N1     C7     C6     C5       180.000    0.000   0
 GS3      CONST_21 C7     C6     C5     C4         0.000    0.000   0
 GS3      CONST_22 C6     C5     C4     N7       180.000    0.000   0
 GS3      CONST_23 C5     C4     C3     C2         0.000    0.000   0
 GS3      var_8    C5     C4     N7     C24      123.800   20.000   1
 GS3      var_9    C4     N7     C21    C22      180.000   20.000   1
 GS3      var_10   C4     N7     C24    C23      180.000   20.000   1
 GS3      var_11   N7     C24    C23    N8        60.000   20.000   3
 GS3      var_12   C24    C23    N8     C22      -60.000   20.000   1
 GS3      var_13   C23    N8     C25    C26      -61.150   20.000   1
 GS3      var_14   N8     C25    C27    H27       59.928   20.000   3
 GS3      var_15   N8     C25    C26    H26     -179.980   20.000   3
 GS3      var_16   C23    N8     C22    C21       60.000   20.000   1
 GS3      var_17   N8     C22    C21    N7       -60.000   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
 GS3      chir_01  N7     C4     C21    C24       negativ
 GS3      chir_02  N8     C22    C23    C25       negativ
 GS3      chir_03  C25    N8     C26    C27       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
 GS3      plan-1    C2        0.020
 GS3      plan-1    O1        0.020
 GS3      plan-1    C3        0.020
 GS3      plan-1    C7        0.020
 GS3      plan-1    C4        0.020
 GS3      plan-1    C5        0.020
 GS3      plan-1    C6        0.020
 GS3      plan-1    H3        0.020
 GS3      plan-1    N7        0.020
 GS3      plan-1    H5        0.020
 GS3      plan-1    H6        0.020
 GS3      plan-1    N1        0.020
 GS3      plan-1    HN1       0.020
 GS3      plan-2    N1        0.020
 GS3      plan-2    C7        0.020
 GS3      plan-2    C8        0.020
 GS3      plan-2    HN1       0.020
 GS3      plan-3    C8        0.020
 GS3      plan-3    N1        0.020
 GS3      plan-3    N2        0.020
 GS3      plan-3    N6        0.020
 GS3      plan-3    C9        0.020
 GS3      plan-3    N3        0.020
 GS3      plan-3    C17       0.020
 GS3      plan-3    C18       0.020
 GS3      plan-3    C20       0.020
 GS3      plan-3    C19       0.020
 GS3      plan-3    N5        0.020
 GS3      plan-3    H18       0.020
 GS3      plan-3    H19       0.020
 GS3      plan-3    HN5       0.020
 GS3      plan-3    HN1       0.020
 GS3      plan-3    HN3       0.020
 GS3      plan-4    N3        0.020
 GS3      plan-4    C9        0.020
 GS3      plan-4    C10       0.020
 GS3      plan-4    HN3       0.020
 GS3      plan-5    C10       0.020
 GS3      plan-5    N3        0.020
 GS3      plan-5    C11       0.020
 GS3      plan-5    C15       0.020
 GS3      plan-5    C12       0.020
 GS3      plan-5    C13       0.020
 GS3      plan-5    C14       0.020
 GS3      plan-5    H11       0.020
 GS3      plan-5    H12       0.020
 GS3      plan-5    H13       0.020
 GS3      plan-5    F1        0.020
 GS3      plan-5    C16       0.020
 GS3      plan-5    HN3       0.020
 GS3      plan-6    C16       0.020
 GS3      plan-6    C15       0.020
 GS3      plan-6    O2        0.020
 GS3      plan-6    N4        0.020
 GS3      plan-6    HN4A      0.020
 GS3      plan-6    HN4       0.020
 GS3      plan-7    N4        0.020
 GS3      plan-7    C16       0.020
 GS3      plan-7    HN4       0.020
 GS3      plan-7    HN4A      0.020
# ------------------------------------------------------