Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"

    save_assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                      50923
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          RNA90
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chem_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      1   '2D 1H-13C HMQC'   .   .   .   50923   1
      2   '2D 1H-1H NOESY'   .   .   .   50923   1
      3   '2D 1H-1H TOCSY'   .   .   .   50923   1
   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

      1   $software_1   .   .   50923   1
      2   $software_2   .   .   50923   1
      3   $software_3   .   .   50923   1
      4   $software_4   .   .   50923   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_assembly_asym_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Ambiguity_set_ID
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

      1     .   1   .   1   1    1    G   H1    H   1    12.8322    0.0000   .   1   .   .   .   .   .   1    G   H1    .   50923   1
      2     .   1   .   1   1    1    G   H1'   H   1    5.8283     0.0000   .   1   .   .   .   .   .   1    G   H1'   .   50923   1
      3     .   1   .   1   1    1    G   H2'   H   1    4.9199     0.0000   .   1   .   .   .   .   .   1    G   H2'   .   50923   1
      4     .   1   .   1   1    1    G   H3'   H   1    4.6930     0.0000   .   1   .   .   .   .   .   1    G   H3'   .   50923   1
      5     .   1   .   1   1    1    G   H8    H   1    8.1384     0.0000   .   1   .   .   .   .   .   1    G   H8    .   50923   1
      6     .   1   .   1   1    1    G   C8    C   13   138.9843   0.0000   .   1   .   .   .   .   .   1    G   C8    .   50923   1
      7     .   1   .   1   2    2    G   H1    H   1    12.8344    0.0000   .   1   .   .   .   .   .   2    G   H1    .   50923   1
      8     .   1   .   1   2    2    G   H1'   H   1    5.9511     0.0000   .   1   .   .   .   .   .   2    G   H1'   .   50923   1
      9     .   1   .   1   2    2    G   H2'   H   1    4.7560     0.0000   .   1   .   .   .   .   .   2    G   H2'   .   50923   1
      10    .   1   .   1   2    2    G   H3'   H   1    4.5615     0.0000   .   1   .   .   .   .   .   2    G   H3'   .   50923   1
      11    .   1   .   1   2    2    G   H8    H   1    7.5730     0.0000   .   1   .   .   .   .   .   2    G   H8    .   50923   1
      12    .   1   .   1   2    2    G   C8    C   13   136.7042   0.0000   .   1   .   .   .   .   .   2    G   C8    .   50923   1
      13    .   1   .   1   3    3    G   H1    H   1    13.2613    0.0000   .   1   .   .   .   .   .   3    G   H1    .   50923   1
      14    .   1   .   1   3    3    G   H1'   H   1    5.7937     0.0000   .   1   .   .   .   .   .   3    G   H1'   .   50923   1
      15    .   1   .   1   3    3    G   H2'   H   1    4.5388     0.0000   .   1   .   .   .   .   .   3    G   H2'   .   50923   1
      16    .   1   .   1   3    3    G   H3'   H   1    4.4261     0.0000   .   1   .   .   .   .   .   3    G   H3'   .   50923   1
      17    .   1   .   1   3    3    G   H8    H   1    7.1799     0.0000   .   1   .   .   .   .   .   3    G   H8    .   50923   1
      18    .   1   .   1   3    3    G   C8    C   13   135.9418   0.0000   .   1   .   .   .   .   .   3    G   C8    .   50923   1
      19    .   1   .   1   4    4    U   H1'   H   1    5.5926     0.0000   .   1   .   .   .   .   .   4    U   H1'   .   50923   1
      20    .   1   .   1   4    4    U   H2'   H   1    4.3922     0.0000   .   1   .   .   .   .   .   4    U   H2'   .   50923   1
      21    .   1   .   1   4    4    U   H3    H   1    14.2690    0.0000   .   1   .   .   .   .   .   4    U   H3    .   50923   1
      22    .   1   .   1   4    4    U   H5    H   1    5.0868     0.0000   .   1   .   .   .   .   .   4    U   H5    .   50923   1
      23    .   1   .   1   4    4    U   H6    H   1    7.7379     0.0000   .   1   .   .   .   .   .   4    U   H6    .   50923   1
      24    .   1   .   1   4    4    U   C6    C   13   141.1250   0.0000   .   1   .   .   .   .   .   4    U   C6    .   50923   1
      25    .   1   .   1   5    5    U   H1'   H   1    5.6465     0.0000   .   1   .   .   .   .   .   5    U   H1'   .   50923   1
      26    .   1   .   1   5    5    U   H2'   H   1    4.5038     0.0000   .   1   .   .   .   .   .   5    U   H2'   .   50923   1
      27    .   1   .   1   5    5    U   H3    H   1    13.1862    0.0000   .   1   .   .   .   .   .   5    U   H3    .   50923   1
      28    .   1   .   1   5    5    U   H3'   H   1    4.6075     0.0000   .   1   .   .   .   .   .   5    U   H3'   .   50923   1
      29    .   1   .   1   5    5    U   H5    H   1    5.6110     0.0000   .   1   .   .   .   .   .   5    U   H5    .   50923   1
      30    .   1   .   1   5    5    U   H6    H   1    7.9401     0.0000   .   1   .   .   .   .   .   5    U   H6    .   50923   1
      31    .   1   .   1   5    5    U   C6    C   13   141.8842   0.0000   .   1   .   .   .   .   .   5    U   C6    .   50923   1
      32    .   1   .   1   6    6    G   H1    H   1    12.4669    0.0000   .   1   .   .   .   .   .   6    G   H1    .   50923   1
      33    .   1   .   1   6    6    G   H1'   H   1    5.7788     0.0000   .   1   .   .   .   .   .   6    G   H1'   .   50923   1
      34    .   1   .   1   6    6    G   H2'   H   1    4.4807     0.0000   .   1   .   .   .   .   .   6    G   H2'   .   50923   1
      35    .   1   .   1   6    6    G   H3'   H   1    4.5923     0.0000   .   1   .   .   .   .   .   6    G   H3'   .   50923   1
      36    .   1   .   1   6    6    G   H8    H   1    7.7819     0.0000   .   1   .   .   .   .   .   6    G   H8    .   50923   1
      37    .   1   .   1   6    6    G   C8    C   13   136.3279   0.0000   .   1   .   .   .   .   .   6    G   C8    .   50923   1
      38    .   1   .   1   7    7    C   H1'   H   1    5.4411     0.0000   .   1   .   .   .   .   .   7    C   H1'   .   50923   1
      39    .   1   .   1   7    7    C   H2'   H   1    4.3740     0.0000   .   1   .   .   .   .   .   7    C   H2'   .   50923   1
      40    .   1   .   1   7    7    C   H3'   H   1    4.4717     0.0000   .   1   .   .   .   .   .   7    C   H3'   .   50923   1
      41    .   1   .   1   7    7    C   H5    H   1    5.2257     0.0000   .   1   .   .   .   .   .   7    C   H5    .   50923   1
      42    .   1   .   1   7    7    C   H6    H   1    7.6726     0.0000   .   1   .   .   .   .   .   7    C   H6    .   50923   1
      43    .   1   .   1   7    7    C   H41   H   1    8.5043     0.0000   .   2   .   .   .   .   .   7    C   H41   .   50923   1
      44    .   1   .   1   7    7    C   H42   H   1    6.8268     0.0000   .   2   .   .   .   .   .   7    C   H42   .   50923   1
      45    .   1   .   1   7    7    C   C6    C   13   140.8604   0.0000   .   1   .   .   .   .   .   7    C   C6    .   50923   1
      46    .   1   .   1   8    8    C   H1'   H   1    5.3691     0.0000   .   1   .   .   .   .   .   8    C   H1'   .   50923   1
      47    .   1   .   1   8    8    C   H2'   H   1    4.3172     0.0000   .   1   .   .   .   .   .   8    C   H2'   .   50923   1
      48    .   1   .   1   8    8    C   H3'   H   1    4.4697     0.0000   .   1   .   .   .   .   .   8    C   H3'   .   50923   1
      49    .   1   .   1   8    8    C   H5    H   1    5.3635     0.0000   .   1   .   .   .   .   .   8    C   H5    .   50923   1
      50    .   1   .   1   8    8    C   H6    H   1    7.7278     0.0000   .   1   .   .   .   .   .   8    C   H6    .   50923   1
      51    .   1   .   1   8    8    C   H41   H   1    8.4271     0.0000   .   2   .   .   .   .   .   8    C   H41   .   50923   1
      52    .   1   .   1   8    8    C   H42   H   1    6.8261     0.0000   .   2   .   .   .   .   .   8    C   H42   .   50923   1
      53    .   1   .   1   8    8    C   C6    C   13   141.1530   0.0000   .   1   .   .   .   .   .   8    C   C6    .   50923   1
      54    .   1   .   1   9    9    U   H1'   H   1    5.6046     0.0000   .   1   .   .   .   .   .   9    U   H1'   .   50923   1
      55    .   1   .   1   9    9    U   H2'   H   1    4.3127     0.0000   .   1   .   .   .   .   .   9    U   H2'   .   50923   1
      56    .   1   .   1   9    9    U   H3    H   1    13.3825    0.0000   .   1   .   .   .   .   .   9    U   H3    .   50923   1
      57    .   1   .   1   9    9    U   H3'   H   1    4.3920     0.0000   .   1   .   .   .   .   .   9    U   H3'   .   50923   1
      58    .   1   .   1   9    9    U   H5    H   1    5.4632     0.0000   .   1   .   .   .   .   .   9    U   H5    .   50923   1
      59    .   1   .   1   9    9    U   H6    H   1    7.7254     0.0000   .   1   .   .   .   .   .   9    U   H6    .   50923   1
      60    .   1   .   1   9    9    U   C6    C   13   141.1950   0.0000   .   1   .   .   .   .   .   9    U   C6    .   50923   1
      61    .   1   .   1   10   10   G   H1'   H   1    5.6524     0.0000   .   1   .   .   .   .   .   10   G   H1'   .   50923   1
      62    .   1   .   1   10   10   G   H2'   H   1    4.3330     0.0000   .   1   .   .   .   .   .   10   G   H2'   .   50923   1
      63    .   1   .   1   10   10   G   H3'   H   1    4.6013     0.0000   .   1   .   .   .   .   .   10   G   H3'   .   50923   1
      64    .   1   .   1   10   10   G   H8    H   1    7.5423     0.0000   .   1   .   .   .   .   .   10   G   H8    .   50923   1
      65    .   1   .   1   10   10   G   C8    C   13   136.6156   0.0000   .   1   .   .   .   .   .   10   G   C8    .   50923   1
      66    .   1   .   1   11   11   A   H1'   H   1    5.6970     0.0000   .   1   .   .   .   .   .   11   A   H1'   .   50923   1
      67    .   1   .   1   11   11   A   H2    H   1    7.9127     0.0000   .   1   .   .   .   .   .   11   A   H2    .   50923   1
      68    .   1   .   1   11   11   A   H2'   H   1    4.6461     0.0000   .   1   .   .   .   .   .   11   A   H2'   .   50923   1
      69    .   1   .   1   11   11   A   H3'   H   1    4.4489     0.0000   .   1   .   .   .   .   .   11   A   H3'   .   50923   1
      70    .   1   .   1   11   11   A   H8    H   1    8.2266     0.0000   .   1   .   .   .   .   .   11   A   H8    .   50923   1
      71    .   1   .   1   11   11   A   C2    C   13   154.4579   0.0000   .   1   .   .   .   .   .   11   A   C2    .   50923   1
      72    .   1   .   1   11   11   A   C8    C   13   141.9063   0.0000   .   1   .   .   .   .   .   11   A   C8    .   50923   1
      73    .   1   .   1   12   12   G   H1'   H   1    5.1718     0.0000   .   1   .   .   .   .   .   12   G   H1'   .   50923   1
      74    .   1   .   1   12   12   G   H2'   H   1    4.2458     0.0000   .   1   .   .   .   .   .   12   G   H2'   .   50923   1
      75    .   1   .   1   12   12   G   H3'   H   1    4.4561     0.0000   .   1   .   .   .   .   .   12   G   H3'   .   50923   1
      76    .   1   .   1   12   12   G   H8    H   1    7.5101     0.0000   .   1   .   .   .   .   .   12   G   H8    .   50923   1
      77    .   1   .   1   12   12   G   C8    C   13   137.6339   0.0000   .   1   .   .   .   .   .   12   G   C8    .   50923   1
      78    .   1   .   1   13   13   A   H1'   H   1    6.0626     0.0000   .   1   .   .   .   .   .   13   A   H1'   .   50923   1
      79    .   1   .   1   13   13   A   H2    H   1    8.1700     0.0000   .   1   .   .   .   .   .   13   A   H2    .   50923   1
      80    .   1   .   1   13   13   A   H2'   H   1    4.5926     0.0000   .   1   .   .   .   .   .   13   A   H2'   .   50923   1
      81    .   1   .   1   13   13   A   H3'   H   1    4.9478     0.0000   .   1   .   .   .   .   .   13   A   H3'   .   50923   1
      82    .   1   .   1   13   13   A   H8    H   1    8.0595     0.0000   .   1   .   .   .   .   .   13   A   H8    .   50923   1
      83    .   1   .   1   13   13   A   C2    C   13   155.3360   0.0000   .   1   .   .   .   .   .   13   A   C2    .   50923   1
      84    .   1   .   1   13   13   A   C8    C   13   140.5781   0.0000   .   1   .   .   .   .   .   13   A   C8    .   50923   1
      85    .   1   .   1   14   14   A   H1'   H   1    4.5277     0.0000   .   1   .   .   .   .   .   14   A   H1'   .   50923   1
      86    .   1   .   1   14   14   A   H2    H   1    7.4195     0.0000   .   1   .   .   .   .   .   14   A   H2    .   50923   1
      87    .   1   .   1   14   14   A   H8    H   1    8.2761     0.0000   .   1   .   .   .   .   .   14   A   H8    .   50923   1
      88    .   1   .   1   14   14   A   C2    C   13   153.0190   0.0000   .   1   .   .   .   .   .   14   A   C2    .   50923   1
      89    .   1   .   1   14   14   A   C8    C   13   140.6667   0.0000   .   1   .   .   .   .   .   14   A   C8    .   50923   1
      90    .   1   .   1   15   15   G   H1    H   1    12.7752    0.0000   .   1   .   .   .   .   .   15   G   H1    .   50923   1
      91    .   1   .   1   15   15   G   H1'   H   1    5.6727     0.0000   .   1   .   .   .   .   .   15   G   H1'   .   50923   1
      92    .   1   .   1   15   15   G   H3'   H   1    4.3601     0.0000   .   1   .   .   .   .   .   15   G   H3'   .   50923   1
      93    .   1   .   1   15   15   G   H8    H   1    7.1878     0.0000   .   1   .   .   .   .   .   15   G   H8    .   50923   1
      94    .   1   .   1   15   15   G   C8    C   13   135.9737   0.0000   .   1   .   .   .   .   .   15   G   C8    .   50923   1
      95    .   1   .   1   16   16   G   H1    H   1    13.1488    0.0000   .   1   .   .   .   .   .   16   G   H1    .   50923   1
      96    .   1   .   1   16   16   G   H1'   H   1    5.7056     0.0000   .   1   .   .   .   .   .   16   G   H1'   .   50923   1
      97    .   1   .   1   16   16   G   H2'   H   1    4.5503     0.0000   .   1   .   .   .   .   .   16   G   H2'   .   50923   1
      98    .   1   .   1   16   16   G   H3'   H   1    4.4605     0.0000   .   1   .   .   .   .   .   16   G   H3'   .   50923   1
      99    .   1   .   1   16   16   G   H8    H   1    7.1841     0.0000   .   1   .   .   .   .   .   16   G   H8    .   50923   1
      100   .   1   .   1   16   16   G   C8    C   13   135.9958   0.0000   .   1   .   .   .   .   .   16   G   C8    .   50923   1
      101   .   1   .   1   17   17   C   H1'   H   1    5.4654     0.0000   .   1   .   .   .   .   .   17   C   H1'   .   50923   1
      102   .   1   .   1   17   17   C   H2'   H   1    4.5473     0.0000   .   1   .   .   .   .   .   17   C   H2'   .   50923   1
      103   .   1   .   1   17   17   C   H3'   H   1    4.5276     0.0000   .   1   .   .   .   .   .   17   C   H3'   .   50923   1
      104   .   1   .   1   17   17   C   H5    H   1    5.1848     0.0000   .   1   .   .   .   .   .   17   C   H5    .   50923   1
      105   .   1   .   1   17   17   C   H6    H   1    7.5779     0.0000   .   1   .   .   .   .   .   17   C   H6    .   50923   1
      106   .   1   .   1   17   17   C   H41   H   1    8.4237     0.0000   .   2   .   .   .   .   .   17   C   H41   .   50923   1
      107   .   1   .   1   17   17   C   H42   H   1    6.8381     0.0000   .   2   .   .   .   .   .   17   C   H42   .   50923   1
      108   .   1   .   1   17   17   C   C6    C   13   140.7774   0.0000   .   1   .   .   .   .   .   17   C   C6    .   50923   1
      109   .   1   .   1   18   18   A   H1'   H   1    5.8658     0.0000   .   1   .   .   .   .   .   18   A   H1'   .   50923   1
      110   .   1   .   1   18   18   A   H2    H   1    6.6671     0.0000   .   1   .   .   .   .   .   18   A   H2    .   50923   1
      111   .   1   .   1   18   18   A   H2'   H   1    4.5543     0.0000   .   1   .   .   .   .   .   18   A   H2'   .   50923   1
      112   .   1   .   1   18   18   A   H3'   H   1    4.7056     0.0000   .   1   .   .   .   .   .   18   A   H3'   .   50923   1
      113   .   1   .   1   18   18   A   H8    H   1    7.9745     0.0000   .   1   .   .   .   .   .   18   A   H8    .   50923   1
      114   .   1   .   1   18   18   A   C2    C   13   152.0007   0.0000   .   1   .   .   .   .   .   18   A   C2    .   50923   1
      115   .   1   .   1   18   18   A   C8    C   13   139.5377   0.0000   .   1   .   .   .   .   .   18   A   C8    .   50923   1
      116   .   1   .   1   19   19   A   H1'   H   1    5.9164     0.0000   .   1   .   .   .   .   .   19   A   H1'   .   50923   1
      117   .   1   .   1   19   19   A   H2    H   1    7.7371     0.0000   .   1   .   .   .   .   .   19   A   H2    .   50923   1
      118   .   1   .   1   19   19   A   H8    H   1    7.8841     0.0000   .   1   .   .   .   .   .   19   A   H8    .   50923   1
      119   .   1   .   1   19   19   A   C2    C   13   153.8823   0.0000   .   1   .   .   .   .   .   19   A   C2    .   50923   1
      120   .   1   .   1   19   19   A   C8    C   13   139.2056   0.0000   .   1   .   .   .   .   .   19   A   C8    .   50923   1
      121   .   1   .   1   20   20   C   H1'   H   1    5.3766     0.0000   .   1   .   .   .   .   .   20   C   H1'   .   50923   1
      122   .   1   .   1   20   20   C   H2'   H   1    4.3148     0.0000   .   1   .   .   .   .   .   20   C   H2'   .   50923   1
      123   .   1   .   1   20   20   C   H5    H   1    5.1921     0.0000   .   1   .   .   .   .   .   20   C   H5    .   50923   1
      124   .   1   .   1   20   20   C   H6    H   1    7.4922     0.0000   .   1   .   .   .   .   .   20   C   H6    .   50923   1
      125   .   1   .   1   20   20   C   H41   H   1    8.4180     0.0000   .   2   .   .   .   .   .   20   C   H41   .   50923   1
      126   .   1   .   1   20   20   C   H42   H   1    6.9401     0.0000   .   2   .   .   .   .   .   20   C   H42   .   50923   1
      127   .   1   .   1   20   20   C   C6    C   13   140.5781   0.0000   .   1   .   .   .   .   .   20   C   C6    .   50923   1
      128   .   1   .   1   21   21   C   H1'   H   1    5.5162     0.0000   .   1   .   .   .   .   .   21   C   H1'   .   50923   1
      129   .   1   .   1   21   21   C   H2'   H   1    4.2566     0.0000   .   1   .   .   .   .   .   21   C   H2'   .   50923   1
      130   .   1   .   1   21   21   C   H3'   H   1    4.4751     0.0000   .   1   .   .   .   .   .   21   C   H3'   .   50923   1
      131   .   1   .   1   21   21   C   H5    H   1    5.4201     0.0000   .   1   .   .   .   .   .   21   C   H5    .   50923   1
      132   .   1   .   1   21   21   C   H6    H   1    7.7620     0.0000   .   1   .   .   .   .   .   21   C   H6    .   50923   1
      133   .   1   .   1   21   21   C   H41   H   1    8.5031     0.0000   .   2   .   .   .   .   .   21   C   H41   .   50923   1
      134   .   1   .   1   21   21   C   H42   H   1    6.8132     0.0000   .   2   .   .   .   .   .   21   C   H42   .   50923   1
      135   .   1   .   1   21   21   C   C6    C   13   141.5203   0.0000   .   1   .   .   .   .   .   21   C   C6    .   50923   1
      136   .   1   .   1   22   22   C   H1'   H   1    5.7686     0.0000   .   1   .   .   .   .   .   22   C   H1'   .   50923   1
      137   .   1   .   1   22   22   C   H2'   H   1    4.0067     0.0000   .   1   .   .   .   .   .   22   C   H2'   .   50923   1
      138   .   1   .   1   22   22   C   H3'   H   1    4.1747     0.0000   .   1   .   .   .   .   .   22   C   H3'   .   50923   1
      139   .   1   .   1   22   22   C   H5    H   1    5.4974     0.0000   .   1   .   .   .   .   .   22   C   H5    .   50923   1
      140   .   1   .   1   22   22   C   H6    H   1    7.6833     0.0000   .   1   .   .   .   .   .   22   C   H6    .   50923   1
      141   .   1   .   1   22   22   C   C6    C   13   141.7196   0.0000   .   1   .   .   .   .   .   22   C   C6    .   50923   1
   stop_
save_