Content for NMR-STAR saveframe, "spectral_peak_list_1"

    save_spectral_peak_list_1
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_1
   _Spectral_peak_list.Entry_ID                         30802
   _Spectral_peak_list.ID                               1
   _Spectral_peak_list.Name                             .
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Chem_shift_reference_ID          1
   _Spectral_peak_list.Chem_shift_reference_label       $chem_shift_reference_1
   _Spectral_peak_list.Experiment_ID                    6
   _Spectral_peak_list.Experiment_name                  '3D SIMUTANEOUS 1H, 15N, 13C NOESY'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    3
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      1
   _Spectral_peak_list.Assigned_chem_shift_list_label   $assigned_chemical_shifts_1
   _Spectral_peak_list.Details                          '15N NOE part of sim-NEOSY'
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
# Number of dimensions 3
#INAME 1 15N
#INAME 2 H1
#INAME 3 1H
   2 126.185   4.592   8.749 1 U         -3.573e+03  0.00e+00 m   0   66   48   67 0 #N 4, HA 3, HN 4, 
   3 126.185   1.775   8.749 1 U         -1.800e+03  0.00e+00 m   0   66   50   67 0 #N 4, HB 3, HN 4, 
   4 126.185   0.846   8.749 1 U         -2.442e+03  0.00e+00 m   0   66   51   67 0 #N 4, QG2 3, HN 4, 
   5 126.185   1.614   8.749 1 U         -6.290e+02  0.00e+00 m   0   66   57   67 0 #N 4, HG12 3, HN 4, 
   6 126.185   1.265   8.749 1 U         -1.090e+02  0.00e+00 m   0   66   58   67 0 #N 4, HG13 3, HN 4, 
   7 126.185   0.869   8.749 1 U         -2.226e+03  0.00e+00 m   0   66   60   67 0 #N 4, QD1 3, HN 4, 
   8 126.007   8.749   8.612 1 U         -6.730e+02  0.00e+00 m   0   87   67   88 0 #N 5, HN 4, HN 5, 
   9 126.007   4.671   8.612 1 U         -6.853e+03  0.00e+00 m   0   87   69   88 0 #N 5, HA 4, HN 5, 
  10 126.007   1.790   8.612 1 U         -1.544e+03  0.00e+00 m   0   87   71   88 0 #N 5, HB 4, HN 5, 
  11 126.007   0.788   8.612 1 U         -6.700e+03  0.00e+00 m   0   87   72   88 0 #N 5, QG2 4, HN 5, 
  12 126.007   1.607   8.612 1 U         -9.300e+02  0.00e+00 m   0   87   78   88 0 #N 5, HG12 4, HN 5, 
  13 126.007   0.995   8.612 1 U         -1.211e+03  0.00e+00 m   0   87   79   88 0 #N 5, HG13 4, HN 5, 
  14 126.007   0.790   8.612 1 U         -6.700e+03  0.00e+00 m   0   87   81   88 0 #N 5, QD1 4, HN 5, 
  15 128.384   8.612   9.451 1 U         -1.763e+03  0.00e+00 m   0  105   88  106 0 #N 6, HN 5, HN 6, 
  16 128.384   4.851   9.451 1 U         -7.464e+03  0.00e+00 m   0  105   90  106 0 #N 6, HA 5, HN 6, 
  17 128.384   2.142   9.451 1 U         -1.994e+03  0.00e+00 m   0  105   92  106 0 #N 6, HB 5, HN 6, 
  18 128.384   0.867   9.451 1 U         -6.516e+03  0.00e+00 m   0  105   93  106 0 #N 6, QG1 5, HN 6, 
  19 128.384   0.827   9.451 1 U         -6.009e+03  0.00e+00 m   0  105   94  106 0 #N 6, QG2 5, HN 6, 
  20 128.657   9.451   8.917 1 U         -6.390e+02  0.00e+00 m   0  126  106  127 0 #N 7, HN 6, HN 7, 
  21 128.657   4.756   8.917 1 U         -2.988e+03  0.00e+00 m   0  126  108  127 0 #N 7, HA 6, HN 7, 
  22 128.657   2.117   8.917 1 U         -6.940e+02  0.00e+00 m   0  126  110  127 0 #N 7, HB 6, HN 7, 
  23 128.657   0.796   8.917 1 U         -2.642e+03  0.00e+00 m   0  126  111  127 0 #N 7, QG2 6, HN 7, 
  24 128.657   1.509   8.917 1 U         -2.060e+02  0.00e+00 m   0  126  117  127 0 #N 7, HG12 6, HN 7, 
  25 128.657   1.504   8.917 1 U         -1.540e+02  0.00e+00 m   0  126  118  127 0 #N 7, HG13 6, HN 7, 
  26 128.657   0.689   8.917 1 U         -1.504e+03  0.00e+00 m   0  126  120  127 0 #N 7, QD1 6, HN 7, 
  27 121.432   8.917   8.176 1 U         -1.464e+03  0.00e+00 m   0  147  127  148 0 #N 8, HN 7, HN 8, 
  28 121.432   5.439   8.176 1 U         -9.703e+03  0.00e+00 m   0  147  129  148 0 #N 8, HA 7, HN 8, 
  29 121.432   2.194   8.176 1 U         -6.450e+02  0.00e+00 m   0  147  131  148 0 #N 8, HB 7, HN 8, 
  30 121.432   0.922   8.176 1 U         -6.990e+03  0.00e+00 m   0  147  132  148 0 #N 8, QG2 7, HN 8, 
  31 121.432   1.728   8.176 1 U         -1.691e+03  0.00e+00 m   0  147  138  148 0 #N 8, HG12 7, HN 8, 
  32 121.432   0.873   8.176 1 U         -3.128e+03  0.00e+00 m   0  147  139  148 0 #N 8, HG13 7, HN 8, 
  33 121.432   0.700   8.176 1 U         -1.235e+03  0.00e+00 m   0  147  141  148 0 #N 8, QD1 7, HN 8, 
  34 118.480   3.918   7.563 1 U         -1.045e+03  0.00e+00 m   0  351  339  352 0 #N 20, HA 19, HN 20, 
  35 118.480   2.086   7.563 1 U         -1.415e+03  0.00e+00 m   0  351  341  352 0 #N 20, HB2 19, HN 20, 
  36 118.480   2.081   7.563 1 U         -1.959e+03  0.00e+00 m   0  351  342  352 0 #N 20, HB3 19, HN 20, 
  37 118.480   2.383   7.563 1 U         -2.900e+02  0.00e+00 m   0  351  345  352 0 #N 20, HG2 19, HN 20, 
  38 118.480   2.387   7.563 1 U         -4.380e+02  0.00e+00 m   0  351  346  352 0 #N 20, HG3 19, HN 20, 
  39 118.732   7.563   7.924 1 U         -1.815e+03  0.00e+00 m   0  372  352  373 0 #N 21, HN 20, HN 21, 
  40 118.732   3.712   7.924 1 U         -1.737e+03  0.00e+00 m   0  372  354  373 0 #N 21, HA 20, HN 21, 
  41 118.732   1.776   7.924 1 U         -5.118e+03  0.00e+00 m   0  372  356  373 0 #N 21, HB 20, HN 21, 
  42 118.732   0.469   7.924 1 U         -8.460e+02  0.00e+00 m   0  372  357  373 0 #N 21, QG2 20, HN 21, 
  43 118.732   1.547   7.924 1 U         -8.590e+02  0.00e+00 m   0  372  363  373 0 #N 21, HG12 20, HN 21, 
  44 118.732   0.954   7.924 1 U         -4.590e+02  0.00e+00 m   0  372  364  373 0 #N 21, HG13 20, HN 21, 
  45 118.732   0.702   7.924 1 U         -1.351e+03  0.00e+00 m   0  372  366  373 0 #N 21, QD1 20, HN 21, 
  46 115.689   7.924   7.837 1 U         -4.186e+03  0.00e+00 m   0  394  373  395 0 #N 22, HN 21, HN 22, 
  47 115.689   3.703   7.837 1 U         -2.150e+03  0.00e+00 m   0  394  375  395 0 #N 22, HA 21, HN 22, 
  48 115.689   1.123   7.837 1 U         -1.534e+03  0.00e+00 m   0  394  377  395 0 #N 22, HB2 21, HN 22, 
  49 115.689   1.755   7.837 1 U         -2.286e+03  0.00e+00 m   0  394  378  395 0 #N 22, HB3 21, HN 22, 
  50 115.689   1.767   7.837 1 U         -2.286e+03  0.00e+00 m   0  394  381  395 0 #N 22, HG 21, HN 22, 
  51 115.689   0.570   7.837 1 U         -5.670e+02  0.00e+00 m   0  394  382  395 0 #N 22, QD1 21, HN 22, 
  52 115.689   0.682   7.837 1 U         -1.065e+03  0.00e+00 m   0  394  383  395 0 #N 22, QD2 21, HN 22, 
  53 118.722   7.837   7.488 1 U         -4.067e+03  0.00e+00 m   0  419  395  420 0 #N 23, HN 22, HN 23, 
  54 118.722   3.774   7.488 1 U         -1.570e+03  0.00e+00 m   0  419  397  420 0 #N 23, HA 22, HN 23, 
  55 118.722   1.623   7.488 1 U         -2.992e+03  0.00e+00 m   0  419  399  420 0 #N 23, HB2 22, HN 23, 
  56 118.722   1.626   7.488 1 U         -2.992e+03  0.00e+00 m   0  419  400  420 0 #N 23, HB3 22, HN 23, 
  57 118.722   1.396   7.488 1 U         -2.900e+02  0.00e+00 m   0  419  403  420 0 #N 23, HG2 22, HN 23, 
  58 118.722   1.280   7.488 1 U         -3.790e+02  0.00e+00 m   0  419  404  420 0 #N 23, HG3 22, HN 23, 
  59 118.722   1.641   7.488 1 U         -2.992e+03  0.00e+00 m   0  419  407  420 0 #N 23, HD2 22, HN 23, 
  60 118.722   1.643   7.488 1 U         -2.992e+03  0.00e+00 m   0  419  408  420 0 #N 23, HD3 22, HN 23, 
  61 118.722   2.930   7.488 1 U         -2.030e+02  0.00e+00 m   0  419  411  420 0 #N 23, HE2 22, HN 23, 
  62 118.722   2.930   7.488 1 U         -2.030e+02  0.00e+00 m   0  419  412  420 0 #N 23, HE3 22, HN 23, 
  63 118.224   7.488   7.938 1 U         -1.379e+03  0.00e+00 m   0  434  420  435 0 #N 24, HN 23, HN 24, 
  64 118.224   4.042   7.938 1 U         -5.040e+02  0.00e+00 m   0  434  422  435 0 #N 24, HA 23, HN 24, 
  65 118.224   2.199   7.938 1 U         -8.690e+02  0.00e+00 m   0  434  424  435 0 #N 24, HB2 23, HN 24, 
  66 118.224   2.085   7.938 1 U         -2.229e+03  0.00e+00 m   0  434  425  435 0 #N 24, HB3 23, HN 24, 
  67 118.224   2.223   7.938 1 U         -4.530e+02  0.00e+00 m   0  434  428  435 0 #N 24, HG2 23, HN 24, 
  68 118.224   2.369   7.938 1 U          1.800e+02  0.00e+00 m   0  434  429  435 0 #N 24, HG3 23, HN 24, 
  69 109.751   7.938   7.678 1 U         -4.828e+03  0.00e+00 m   0  455  435  456 0 #N 25, HN 24, HN 25, 
  70 109.751   3.876   7.678 1 U         -2.400e+03  0.00e+00 m   0  455  437  456 0 #N 25, HA 24, HN 25, 
  71 109.751   1.865   7.678 1 U         -3.840e+03  0.00e+00 m   0  455  439  456 0 #N 25, HB 24, HN 25, 
  72 109.751   0.856   7.678 1 U         -3.128e+03  0.00e+00 m   0  455  440  456 0 #N 25, QG2 24, HN 25, 
  73 109.751   1.583   7.678 1 U         -1.323e+03  0.00e+00 m   0  455  446  456 0 #N 25, HG12 24, HN 25, 
  74 109.751   1.133   7.678 1 U         -1.119e+03  0.00e+00 m   0  455  447  456 0 #N 25, HG13 24, HN 25, 
  75 109.751   0.630   7.678 1 U         -8.230e+02  0.00e+00 m   0  455  449  456 0 #N 25, QD1 24, HN 25, 
  76 122.103   7.678   8.622 1 U         -1.806e+03  0.00e+00 m   0  462  456  463 0 #N 26, HN 25, HN 26, 
  77 122.103   3.684   8.622 1 U         -4.686e+03  0.00e+00 m   0  462  458  463 0 #N 26, HA1 25, HN 26, 
  78 122.103   4.489   8.622 1 U         -2.554e+03  0.00e+00 m   0  462  459  463 0 #N 26, HA2 25, HN 26, 
  79 117.259   8.622   8.780 1 U         -3.851e+03  0.00e+00 m   0  480  463  481 0 #N 27, HN 26, HN 27, 
  80 117.259   3.789   8.780 1 U         -2.558e+03  0.00e+00 m   0  480  465  481 0 #N 27, HA 26, HN 27, 
  81 117.259   2.156   8.780 1 U         -1.076e+03  0.00e+00 m   0  480  467  481 0 #N 27, HB 26, HN 27, 
  82 117.259   0.998   8.780 1 U         -9.759e+03  0.00e+00 m   0  480  468  481 0 #N 27, QG1 26, HN 27, 
  83 117.259   1.006   8.780 1 U         -9.759e+03  0.00e+00 m   0  480  469  481 0 #N 27, QG2 26, HN 27, 
  84 116.775   8.780   7.864 1 U         -2.703e+03  0.00e+00 m   0  491  481  492 0 #N 28, HN 27, HN 28, 
  85 116.775   4.614   7.864 1 U         -2.650e+03  0.00e+00 m   0  491  483  492 0 #N 28, HA 27, HN 28, 
  86 116.775   2.740   7.864 1 U         -1.050e+03  0.00e+00 m   0  491  485  492 0 #N 28, HB2 27, HN 28, 
  87 116.775   2.749   7.864 1 U         -1.050e+03  0.00e+00 m   0  491  486  492 0 #N 28, HB3 27, HN 28, 
  88 117.380   7.864   7.236 1 U         -2.534e+03  0.00e+00 m   0  517  492  518 0 #N 29, HN 28, HN 29, 
  89 117.380   4.573   7.236 1 U         -1.381e+03  0.00e+00 m   0  517  494  518 0 #N 29, HA 28, HN 29, 
  90 117.380   2.033   7.236 1 U         -2.582e+03  0.00e+00 m   0  517  496  518 0 #N 29, HB2 28, HN 29, 
  91 117.380   2.013   7.236 1 U         -1.843e+03  0.00e+00 m   0  517  497  518 0 #N 29, HB3 28, HN 29, 
  92 117.380   1.670   7.236 1 U         -3.820e+02  0.00e+00 m   0  517  500  518 0 #N 29, HG2 28, HN 29, 
  93 117.380   1.630   7.236 1 U         -4.340e+02  0.00e+00 m   0  517  501  518 0 #N 29, HG3 28, HN 29, 
  94 117.380   3.218   7.236 1 U         -1.560e+02  0.00e+00 m   0  517  504  518 0 #N 29, HD2 28, HN 29, 
  95 117.380   3.215   7.236 1 U         -1.560e+02  0.00e+00 m   0  517  505  518 0 #N 29, HD3 28, HN 29, 
  96 125.494   7.236   8.603 1 U         -5.860e+02  0.00e+00 m   0  538  518  539 0 #N 30, HN 29, HN 30, 
  97 125.494   4.974   8.603 1 U         -8.623e+03  0.00e+00 m   0  538  520  539 0 #N 30, HA 29, HN 30, 
  98 125.494   2.046   8.603 1 U         -8.370e+02  0.00e+00 m   0  538  522  539 0 #N 30, HB 29, HN 30, 
  99 125.494   0.880   8.603 1 U         -6.259e+03  0.00e+00 m   0  538  523  539 0 #N 30, QG2 29, HN 30, 
 100 125.494   1.427   8.603 1 U         -3.330e+02  0.00e+00 m   0  538  529  539 0 #N 30, HG12 29, HN 30, 
 101 125.494   1.567   8.603 1 U         -2.560e+02  0.00e+00 m   0  538  530  539 0 #N 30, HG13 29, HN 30, 
 102 125.494   0.722   8.603 1 U         -2.187e+03  0.00e+00 m   0  538  532  539 0 #N 30, QD1 29, HN 30, 
 103 126.099   8.603   8.348 1 U         -6.040e+02  0.00e+00 m   0  556  539  557 0 #N 31, HN 30, HN 31, 
 104 126.099   4.844   8.348 1 U         -9.248e+03  0.00e+00 m   0  556  541  557 0 #N 31, HA 30, HN 31, 
 105 126.099   1.919   8.348 1 U         -6.900e+02  0.00e+00 m   0  556  543  557 0 #N 31, HB 30, HN 31, 
 106 126.099   0.852   8.348 1 U         -2.606e+03  0.00e+00 m   0  556  544  557 0 #N 31, QG1 30, HN 31, 
 107 126.099   0.996   8.348 1 U         -7.248e+03  0.00e+00 m   0  556  545  557 0 #N 31, QG2 30, HN 31, 
 108 127.413   8.348   8.925 1 U         -3.790e+02  0.00e+00 m   0  577  557  578 0 #N 32, HN 31, HN 32, 
 109 127.413   5.196   8.925 1 U         -6.090e+03  0.00e+00 m   0  577  559  578 0 #N 32, HA 31, HN 32, 
 110 127.413   1.803   8.925 1 U         -4.390e+02  0.00e+00 m   0  577  561  578 0 #N 32, HB 31, HN 32, 
 111 127.413   0.778   8.925 1 U         -4.749e+03  0.00e+00 m   0  577  562  578 0 #N 32, QG2 31, HN 32, 
 112 127.413   1.371   8.925 1 U         -3.480e+02  0.00e+00 m   0  577  568  578 0 #N 32, HG12 31, HN 32, 
 113 127.413   1.472   8.925 1 U         -3.210e+02  0.00e+00 m   0  577  569  578 0 #N 32, HG13 31, HN 32, 
 114 127.413   0.787   8.925 1 U         -4.749e+03  0.00e+00 m   0  577  571  578 0 #N 32, QD1 31, HN 32, 
 115 118.833   8.925   8.891 1 U         -1.244e+04  0.00e+00 m   0  598  578  599 0 #N 33, HN 32, HN 33, 
 116 118.833   5.159   8.891 1 U         -1.032e+04  0.00e+00 m   0  598  580  599 0 #N 33, HA 32, HN 33, 
 117 118.833   1.737   8.891 1 U         -5.030e+02  0.00e+00 m   0  598  582  599 0 #N 33, HB 32, HN 33, 
 118 118.833   0.918   8.891 1 U         -4.442e+03  0.00e+00 m   0  598  583  599 0 #N 33, QG2 32, HN 33, 
 119 118.833   1.563   8.891 1 U         -1.370e+02  0.00e+00 m   0  598  589  599 0 #N 33, HG12 32, HN 33, 
 120 118.833   1.465   8.891 1 U         -3.610e+02  0.00e+00 m   0  598  590  599 0 #N 33, HG13 32, HN 33, 
 121 118.833   0.751   8.891 1 U         -2.306e+03  0.00e+00 m   0  598  592  599 0 #N 33, QD1 32, HN 33, 
 122 115.806   8.891   7.245 1 U         -9.280e+02  0.00e+00 m   0  611  599  612 0 #N 34, HN 33, HN 34, 
 123 115.806   5.153   7.245 1 U         -8.214e+03  0.00e+00 m   0  611  601  612 0 #N 34, HA 33, HN 34, 
 124 115.806   4.220   7.245 1 U         -2.147e+03  0.00e+00 m   0  611  603  612 0 #N 34, HB 33, HN 34, 
 125 115.806   1.056   7.245 1 U         -1.948e+03  0.00e+00 m   0  611  604  612 0 #N 34, QG2 33, HN 34, 
 126 124.704   7.245   8.687 1 U         -4.084e+03  0.00e+00 m   0  621  612  622 0 #N 35, HN 34, HN 35, 
 127 124.704   4.848   8.687 1 U         -1.564e+03  0.00e+00 m   0  621  614  622 0 #N 35, HA 34, HN 35, 
 128 124.704   3.900   8.687 1 U         -4.410e+02  0.00e+00 m   0  621  616  622 0 #N 35, HB2 34, HN 35, 
 129 124.704   4.168   8.687 1 U         -6.870e+02  0.00e+00 m   0  621  617  622 0 #N 35, HB3 34, HN 35, 
 130 118.431   3.897   8.096 1 U         -2.312e+03  0.00e+00 m   0  660  638  661 0 #N 37, HA 36, HN 37, 
 131 118.431   1.898   8.096 1 U         -7.521e+03  0.00e+00 m   0  660  640  661 0 #N 37, HB2 36, HN 37, 
 132 118.431   1.718   8.096 1 U         -2.346e+03  0.00e+00 m   0  660  641  661 0 #N 37, HB3 36, HN 37, 
 133 118.431   1.448   8.096 1 U         -1.556e+03  0.00e+00 m   0  660  644  661 0 #N 37, HG2 36, HN 37, 
 134 118.431   1.518   8.096 1 U         -1.166e+03  0.00e+00 m   0  660  645  661 0 #N 37, HG3 36, HN 37, 
 135 118.431   1.610   8.096 1 U         -5.700e+02  0.00e+00 m   0  660  648  661 0 #N 37, HD2 36, HN 37, 
 136 118.431   1.610   8.096 1 U         -5.700e+02  0.00e+00 m   0  660  649  661 0 #N 37, HD3 36, HN 37, 
 137 118.431   2.930   8.096 1 U          9.900e+01  0.00e+00 m   0  660  652  661 0 #N 37, HE2 36, HN 37, 
 138 118.431   2.930   8.096 1 U          9.900e+01  0.00e+00 m   0  660  653  661 0 #N 37, HE3 36, HN 37, 
 139 123.193   8.096   7.493 1 U         -3.874e+03  0.00e+00 m   0  678  661  679 0 #N 38, HN 37, HN 38, 
 140 123.193   4.142   7.493 1 U         -1.228e+03  0.00e+00 m   0  678  663  679 0 #N 38, HA 37, HN 38, 
 141 123.193   2.164   7.493 1 U         -1.965e+03  0.00e+00 m   0  678  665  679 0 #N 38, HB2 37, HN 38, 
 142 123.193   2.288   7.493 1 U         -2.468e+03  0.00e+00 m   0  678  666  679 0 #N 38, HB3 37, HN 38, 
 143 123.193   2.492   7.493 1 U         -5.920e+02  0.00e+00 m   0  678  669  679 0 #N 38, HG2 37, HN 38, 
 144 123.193   2.460   7.493 1 U         -3.980e+02  0.00e+00 m   0  678  670  679 0 #N 38, HG3 37, HN 38, 
 145 123.193   7.857   7.493 1 U         -3.900e+01  0.00e+00 m   0  678  674  679 0 #N 38, HE21 37, HN 38, 
 146 123.193   6.918   7.493 1 U          2.810e+02  0.00e+00 m   0  678  675  679 0 #N 38, HE22 37, HN 38, 
 147 121.376   7.493   8.147 1 U         -5.712e+03  0.00e+00 m   0  700  679  701 0 #N 39, HN 38, HN 39, 
 148 121.376   4.064   8.147 1 U         -1.124e+03  0.00e+00 m   0  700  681  701 0 #N 39, HA 38, HN 39, 
 149 121.376   1.706   8.147 1 U         -3.096e+03  0.00e+00 m   0  700  683  701 0 #N 39, HB2 38, HN 39, 
 150 121.376   2.070   8.147 1 U         -4.419e+03  0.00e+00 m   0  700  684  701 0 #N 39, HB3 38, HN 39, 
 151 121.376   1.775   8.147 1 U         -1.534e+03  0.00e+00 m   0  700  687  701 0 #N 39, HG 38, HN 39, 
 152 121.376   0.884   8.147 1 U         -4.158e+03  0.00e+00 m   0  700  688  701 0 #N 39, QD1 38, HN 39, 
 153 121.376   0.806   8.147 1 U         -4.556e+03  0.00e+00 m   0  700  689  701 0 #N 39, QD2 38, HN 39, 
 154 117.380   8.147   7.978 1 U         -6.034e+03  0.00e+00 m   0  710  701  711 0 #N 40, HN 39, HN 40, 
 155 117.380   3.808   7.978 1 U         -2.030e+03  0.00e+00 m   0  710  703  711 0 #N 40, HA 39, HN 40, 
 156 117.380   1.440   7.978 1 U         -9.725e+03  0.00e+00 m   0  710  704  711 0 #N 40, QB 39, HN 40, 
 157 121.850   7.978   8.006 1 U         -4.210e+04  0.00e+00 m   0  725  711  726 0 #N 41, HN 40, HN 41, 
 158 121.850   3.966   8.006 1 U         -2.397e+03  0.00e+00 m   0  725  713  726 0 #N 41, HA 40, HN 41, 
 159 121.850   2.081   8.006 1 U         -6.090e+03  0.00e+00 m   0  725  715  726 0 #N 41, HB2 40, HN 41, 
 160 121.850   2.148   8.006 1 U         -6.877e+03  0.00e+00 m   0  725  716  726 0 #N 41, HB3 40, HN 41, 
 161 121.850   2.325   8.006 1 U         -2.082e+03  0.00e+00 m   0  725  719  726 0 #N 41, HG2 40, HN 41, 
 162 121.850   2.461   8.006 1 U         -1.387e+03  0.00e+00 m   0  725  720  726 0 #N 41, HG3 40, HN 41, 
 163 120.166   8.006   8.700 1 U         -7.771e+03  0.00e+00 m   0  751  726  752 0 #N 42, HN 41, HN 42, 
 164 120.166   4.042   8.700 1 U         -2.546e+03  0.00e+00 m   0  751  728  752 0 #N 42, HA 41, HN 42, 
 165 120.166   1.887   8.700 1 U         -3.398e+03  0.00e+00 m   0  751  730  752 0 #N 42, HB2 41, HN 42, 
 166 120.166   1.945   8.700 1 U         -3.658e+03  0.00e+00 m   0  751  731  752 0 #N 42, HB3 41, HN 42, 
 167 120.166   1.523   8.700 1 U         -1.178e+03  0.00e+00 m   0  751  734  752 0 #N 42, HG2 41, HN 42, 
 168 120.166   1.306   8.700 1 U         -9.700e+02  0.00e+00 m   0  751  735  752 0 #N 42, HG3 41, HN 42, 
 169 120.166   2.920   8.700 1 U         -1.630e+02  0.00e+00 m   0  751  738  752 0 #N 42, HD2 41, HN 42, 
 170 120.166   3.197   8.700 1 U         -3.460e+02  0.00e+00 m   0  751  739  752 0 #N 42, HD3 41, HN 42, 
 171 119.439   8.700   7.704 1 U         -6.050e+03  0.00e+00 m   0  761  752  762 0 #N 43, HN 42, HN 43, 
 172 119.439   3.801   7.704 1 U         -2.252e+03  0.00e+00 m   0  761  754  762 0 #N 43, HA 42, HN 43, 
 173 119.439   1.416   7.704 1 U         -1.088e+04  0.00e+00 m   0  761  755  762 0 #N 43, QB 42, HN 43, 
 174 121.110   7.704   7.787 1 U         -1.070e+04  0.00e+00 m   0  786  762  787 0 #N 44, HN 43, HN 44, 
 175 121.110   4.211   7.787 1 U         -2.582e+03  0.00e+00 m   0  786  764  787 0 #N 44, HA 43, HN 44, 
 176 121.110   1.834   7.787 1 U         -4.760e+03  0.00e+00 m   0  786  766  787 0 #N 44, HB2 43, HN 44, 
 177 121.110   2.001   7.787 1 U         -6.749e+03  0.00e+00 m   0  786  767  787 0 #N 44, HB3 43, HN 44, 
 178 121.110   1.413   7.787 1 U         -3.755e+03  0.00e+00 m   0  786  770  787 0 #N 44, HG2 43, HN 44, 
 179 121.110   1.538   7.787 1 U         -1.670e+03  0.00e+00 m   0  786  771  787 0 #N 44, HG3 43, HN 44, 
 180 121.110   1.706   7.787 1 U         -1.259e+03  0.00e+00 m   0  786  774  787 0 #N 44, HD2 43, HN 44, 
 181 121.110   1.702   7.787 1 U         -1.259e+03  0.00e+00 m   0  786  775  787 0 #N 44, HD3 43, HN 44, 
 182 121.110   2.966   7.787 1 U         -2.060e+02  0.00e+00 m   0  786  778  787 0 #N 44, HE2 43, HN 44, 
 183 121.110   2.966   7.787 1 U         -2.060e+02  0.00e+00 m   0  786  779  787 0 #N 44, HE3 43, HN 44, 
 184 118.591   7.787   7.620 1 U         -6.958e+03  0.00e+00 m   0  801  787  802 0 #N 45, HN 44, HN 45, 
 185 118.591   3.987   7.620 1 U         -6.042e+03  0.00e+00 m   0  801  789  802 0 #N 45, HA 44, HN 45, 
 186 118.591   2.124   7.620 1 U         -2.243e+03  0.00e+00 m   0  801  791  802 0 #N 45, HB2 44, HN 45, 
 187 118.591   2.225   7.620 1 U         -2.916e+03  0.00e+00 m   0  801  792  802 0 #N 45, HB3 44, HN 45, 
 188 118.591   2.416   7.620 1 U         -6.920e+02  0.00e+00 m   0  801  795  802 0 #N 45, HG2 44, HN 45, 
 189 118.591   2.402   7.620 1 U         -6.710e+02  0.00e+00 m   0  801  796  802 0 #N 45, HG3 44, HN 45, 
 190 103.455   7.620   7.509 1 U         -1.032e+04  0.00e+00 m   0  823  802  824 0 #N 46, HN 45, HN 46, 
 191 103.455   3.983   7.509 1 U         -3.897e+03  0.00e+00 m   0  823  804  824 0 #N 46, HA 45, HN 46, 
 192 103.455   1.207   7.509 1 U         -1.129e+03  0.00e+00 m   0  823  806  824 0 #N 46, HB2 45, HN 46, 
 193 103.455   1.360   7.509 1 U         -2.486e+03  0.00e+00 m   0  823  807  824 0 #N 46, HB3 45, HN 46, 
 194 103.455   1.381   7.509 1 U         -2.618e+03  0.00e+00 m   0  823  810  824 0 #N 46, HG 45, HN 46, 
 195 103.455   0.201   7.509 1 U         -4.980e+02  0.00e+00 m   0  823  811  824 0 #N 46, QD1 45, HN 46, 
 196 103.455   0.467   7.509 1 U         -3.490e+02  0.00e+00 m   0  823  812  824 0 #N 46, QD2 45, HN 46, 
 197 120.622   7.509   7.666 1 U         -4.754e+03  0.00e+00 m   0  830  824  831 0 #N 47, HN 46, HN 47, 
 198 120.622   3.659   7.666 1 U         -1.375e+03  0.00e+00 m   0  830  826  831 0 #N 47, HA1 46, HN 47, 
 199 120.622   4.342   7.666 1 U         -1.427e+03  0.00e+00 m   0  830  827  831 0 #N 47, HA2 46, HN 47, 
 200 124.967   7.666   8.452 1 U         -6.990e+03  0.00e+00 m   0  848  831  849 0 #N 48, HN 47, HN 48, 
 201 124.967   3.858   8.452 1 U         -1.425e+04  0.00e+00 m   0  848  833  849 0 #N 48, HA 47, HN 48, 
 202 124.967   1.799   8.452 1 U         -1.666e+03  0.00e+00 m   0  848  835  849 0 #N 48, HB 47, HN 48, 
 203 124.967   0.929   8.452 1 U         -8.601e+03  0.00e+00 m   0  848  836  849 0 #N 48, QG1 47, HN 48, 
 204 124.967   0.917   8.452 1 U         -8.601e+03  0.00e+00 m   0  848  837  849 0 #N 48, QG2 47, HN 48, 
 205 119.056   8.452   7.678 1 U         -3.157e+03  0.00e+00 m   0  859  849  860 0 #N 49, HN 48, HN 49, 
 206 119.056   4.636   7.678 1 U         -1.327e+03  0.00e+00 m   0  859  851  860 0 #N 49, HA 48, HN 49, 
 207 119.056   2.673   7.678 1 U         -2.394e+03  0.00e+00 m   0  859  853  860 0 #N 49, HB2 48, HN 49, 
 208 119.056   2.670   7.678 1 U         -2.394e+03  0.00e+00 m   0  859  854  860 0 #N 49, HB3 48, HN 49, 
 209 122.830   7.678   7.509 1 U         -7.590e+02  0.00e+00 m   0  885  860  886 0 #N 50, HN 49, HN 50, 
 210 122.830   4.388   7.509 1 U         -9.962e+03  0.00e+00 m   0  885  862  886 0 #N 50, HA 49, HN 50, 
 211 122.830   1.643   7.509 1 U         -1.140e+03  0.00e+00 m   0  885  864  886 0 #N 50, HB2 49, HN 50, 
 212 122.830   2.209   7.509 1 U         -4.830e+02  0.00e+00 m   0  885  865  886 0 #N 50, HB3 49, HN 50, 
 213 122.830   1.748   7.509 1 U         -1.343e+03  0.00e+00 m   0  885  868  886 0 #N 50, HG2 49, HN 50, 
 214 122.830   1.695   7.509 1 U         -1.572e+03  0.00e+00 m   0  885  869  886 0 #N 50, HG3 49, HN 50, 
 215 122.830   3.105   7.509 1 U         -3.810e+02  0.00e+00 m   0  885  872  886 0 #N 50, HD2 49, HN 50, 
 216 122.830   3.291   7.509 1 U         -6.500e+01  0.00e+00 m   0  885  873  886 0 #N 50, HD3 49, HN 50, 
 217 126.705   7.509   9.288 1 U         -3.390e+02  0.00e+00 m   0  906  886  907 0 #N 51, HN 50, HN 51, 
 218 126.705   4.918   9.288 1 U         -7.567e+03  0.00e+00 m   0  906  888  907 0 #N 51, HA 50, HN 51, 
 219 126.705   1.478   9.288 1 U         -1.136e+03  0.00e+00 m   0  906  890  907 0 #N 51, HB 50, HN 51, 
 220 126.705   0.722   9.288 1 U         -6.066e+03  0.00e+00 m   0  906  891  907 0 #N 51, QG2 50, HN 51, 
 221 126.705   0.682   9.288 1 U         -9.640e+02  0.00e+00 m   0  906  897  907 0 #N 51, HG12 50, HN 51, 
 222 126.705   1.338   9.288 1 U         -1.170e+02  0.00e+00 m   0  906  898  907 0 #N 51, HG13 50, HN 51, 
 223 126.705   0.854   9.288 1 U         -1.070e+03  0.00e+00 m   0  906  900  907 0 #N 51, QD1 50, HN 51, 
 224 127.189   9.288   8.523 1 U         -7.810e+02  0.00e+00 m   0  929  907  930 0 #N 52, HN 51, HN 52, 
 225 127.189   4.704   8.523 1 U         -1.067e+04  0.00e+00 m   0  929  909  930 0 #N 52, HA 51, HN 52, 
 226 127.189   2.859   8.523 1 U         -1.959e+03  0.00e+00 m   0  929  911  930 0 #N 52, HB2 51, HN 52, 
 227 127.189   2.970   8.523 1 U         -1.331e+03  0.00e+00 m   0  929  912  930 0 #N 52, HB3 51, HN 52, 
 228 127.189   7.000   8.523 1 U          1.060e+02  0.00e+00 m   0  929  920  930 0 #N 52, HZ 51, HN 52, 
 229 127.189   7.142   8.523 1 U         -4.770e+02  0.00e+00 m   0  929  926  930 0 #N 52, QD 51, HN 52, 
 230 127.189   7.202   8.523 1 U         -1.290e+02  0.00e+00 m   0  929  927  930 0 #N 52, QE 51, HN 52, 
 231 126.240   8.523   8.374 1 U         -7.500e+02  0.00e+00 m   0  951  930  952 0 #N 53, HN 52, HN 53, 
 232 126.240   5.524   8.374 1 U         -6.901e+03  0.00e+00 m   0  951  932  952 0 #N 53, HA 52, HN 53, 
 233 126.240   1.870   8.374 1 U         -8.390e+02  0.00e+00 m   0  951  934  952 0 #N 53, HB2 52, HN 53, 
 234 126.240   1.194   8.374 1 U         -1.188e+03  0.00e+00 m   0  951  935  952 0 #N 53, HB3 52, HN 53, 
 235 126.240   1.438   8.374 1 U         -1.829e+03  0.00e+00 m   0  951  938  952 0 #N 53, HG 52, HN 53, 
 236 126.240   0.835   8.374 1 U         -1.361e+03  0.00e+00 m   0  951  939  952 0 #N 53, QD1 52, HN 53, 
 237 126.240   0.755   8.374 1 U         -3.902e+03  0.00e+00 m   0  951  940  952 0 #N 53, QD2 52, HN 53, 
 238 108.541   8.374   8.586 1 U         -2.980e+02  0.00e+00 m   0  973  952  974 0 #N 54, HN 53, HN 54, 
 239 108.541   4.801   8.586 1 U         -3.550e+03  0.00e+00 m   0  973  954  974 0 #N 54, HA 53, HN 54, 
 240 108.541   1.477   8.586 1 U         -3.120e+02  0.00e+00 m   0  973  956  974 0 #N 54, HB2 53, HN 54, 
 241 108.541   1.553   8.586 1 U         -6.620e+02  0.00e+00 m   0  973  957  974 0 #N 54, HB3 53, HN 54, 
 242 108.541   1.540   8.586 1 U         -6.620e+02  0.00e+00 m   0  973  960  974 0 #N 54, HG 53, HN 54, 
 243 108.541   0.968   8.586 1 U         -3.520e+02  0.00e+00 m   0  973  961  974 0 #N 54, QD1 53, HN 54, 
 244 108.541   0.801   8.586 1 U         -8.600e+01  0.00e+00 m   0  973  962  974 0 #N 54, QD2 53, HN 54, 
 245 121.861   8.586   7.238 1 U         -7.100e+02  0.00e+00 m   0  986  974  987 0 #N 55, HN 54, HN 55, 
 246 121.861   4.403   7.238 1 U         -6.220e+02  0.00e+00 m   0  986  976  987 0 #N 55, HA 54, HN 55, 
 247 121.861   4.413   7.238 1 U         -1.307e+03  0.00e+00 m   0  986  978  987 0 #N 55, HB 54, HN 55, 
 248 121.861   1.189   7.238 1 U         -8.700e+02  0.00e+00 m   0  986  979  987 0 #N 55, QG2 54, HN 55, 
 249 125.057   7.238   8.746 1 U         -4.470e+02  0.00e+00 m   0  997  987  998 0 #N 56, HN 55, HN 56, 
 250 125.057   4.771   8.746 1 U         -1.253e+04  0.00e+00 m   0  997  989  998 0 #N 56, HA 55, HN 56, 
 251 125.057   2.837   8.746 1 U         -1.347e+03  0.00e+00 m   0  997  991  998 0 #N 56, HB2 55, HN 56, 
 252 125.057   2.673   8.746 1 U         -3.982e+03  0.00e+00 m   0  997  992  998 0 #N 56, HB3 55, HN 56, 
 253 120.014   8.746   8.327 1 U         -3.289e+03  0.00e+00 m   0 1008  998 1009 0 #N 57, HN 56, HN 57, 
 254 120.014   4.147   8.327 1 U         -1.544e+03  0.00e+00 m   0 1008 1000 1009 0 #N 57, HA 56, HN 57, 
 255 120.014   2.638   8.327 1 U         -3.317e+03  0.00e+00 m   0 1008 1002 1009 0 #N 57, HB2 56, HN 57, 
 256 120.014   2.524   8.327 1 U         -1.261e+03  0.00e+00 m   0 1008 1003 1009 0 #N 57, HB3 56, HN 57, 
 257 118.978   8.327   7.880 1 U         -7.419e+03  0.00e+00 m   0 1023 1009 1024 0 #N 58, HN 57, HN 58, 
 258 118.978   4.059   7.880 1 U         -2.411e+03  0.00e+00 m   0 1023 1011 1024 0 #N 58, HA 57, HN 58, 
 259 118.978   2.099   7.880 1 U         -6.475e+03  0.00e+00 m   0 1023 1013 1024 0 #N 58, HB2 57, HN 58, 
 260 118.978   2.091   7.880 1 U         -6.475e+03  0.00e+00 m   0 1023 1014 1024 0 #N 58, HB3 57, HN 58, 
 261 118.978   2.360   7.880 1 U         -7.710e+02  0.00e+00 m   0 1023 1017 1024 0 #N 58, HG2 57, HN 58, 
 262 118.978   2.316   7.880 1 U         -1.195e+03  0.00e+00 m   0 1023 1018 1024 0 #N 58, HG3 57, HN 58, 
 263 118.512   7.880   7.816 1 U         -6.676e+03  0.00e+00 m   0 1045 1024 1046 0 #N 59, HN 58, HN 59, 
 264 118.512   4.234   7.816 1 U         -7.380e+02  0.00e+00 m   0 1045 1026 1046 0 #N 59, HA 58, HN 59, 
 265 118.512   1.670   7.816 1 U         -1.327e+03  0.00e+00 m   0 1045 1028 1046 0 #N 59, HB2 58, HN 59, 
 266 118.512   1.806   7.816 1 U         -5.487e+03  0.00e+00 m   0 1045 1029 1046 0 #N 59, HB3 58, HN 59, 
 267 118.512   1.685   7.816 1 U         -1.798e+03  0.00e+00 m   0 1045 1032 1046 0 #N 59, HG 58, HN 59, 
 268 118.512   0.898   7.816 1 U         -1.914e+03  0.00e+00 m   0 1045 1033 1046 0 #N 59, QD1 58, HN 59, 
 269 118.512   1.016   7.816 1 U         -1.390e+02  0.00e+00 m   0 1045 1034 1046 0 #N 59, QD2 58, HN 59, 
 270 120.189   7.816   8.347 1 U         -4.198e+03  0.00e+00 m   0 1066 1046 1067 0 #N 60, HN 59, HN 60, 
 271 120.189   3.337   8.347 1 U         -4.720e+02  0.00e+00 m   0 1066 1048 1067 0 #N 60, HA 59, HN 60, 
 272 120.189   1.831   8.347 1 U         -4.556e+03  0.00e+00 m   0 1066 1050 1067 0 #N 60, HB 59, HN 60, 
 273 120.189   0.760   8.347 1 U         -3.857e+03  0.00e+00 m   0 1066 1051 1067 0 #N 60, QG2 59, HN 60, 
 274 120.189   0.768   8.347 1 U         -3.857e+03  0.00e+00 m   0 1066 1057 1067 0 #N 60, HG12 59, HN 60, 
 275 120.189   1.756   8.347 1 U         -1.968e+03  0.00e+00 m   0 1066 1058 1067 0 #N 60, HG13 59, HN 60, 
 276 120.189   0.755   8.347 1 U         -3.857e+03  0.00e+00 m   0 1066 1060 1067 0 #N 60, QD1 59, HN 60, 
 277 116.048   8.347   7.773 1 U         -3.880e+03  0.00e+00 m   0 1076 1067 1077 0 #N 61, HN 60, HN 61, 
 278 116.048   3.744   7.773 1 U         -1.743e+03  0.00e+00 m   0 1076 1069 1077 0 #N 61, HA 60, HN 61, 
 279 116.048   1.326   7.773 1 U         -9.100e+03  0.00e+00 m   0 1076 1070 1077 0 #N 61, QB 60, HN 61, 
 280 121.740   7.773   8.010 1 U         -3.982e+03  0.00e+00 m   0 1091 1077 1092 0 #N 62, HN 61, HN 62, 
 281 121.740   4.000   8.010 1 U         -2.743e+03  0.00e+00 m   0 1091 1079 1092 0 #N 62, HA 61, HN 62, 
 282 121.740   2.134   8.010 1 U         -4.459e+03  0.00e+00 m   0 1091 1081 1092 0 #N 62, HB2 61, HN 62, 
 283 121.740   2.081   8.010 1 U         -3.686e+03  0.00e+00 m   0 1091 1082 1092 0 #N 62, HB3 61, HN 62, 
 284 121.740   2.310   8.010 1 U         -9.080e+02  0.00e+00 m   0 1091 1085 1092 0 #N 62, HG2 61, HN 62, 
 285 121.740   2.310   8.010 1 U         -9.080e+02  0.00e+00 m   0 1091 1086 1092 0 #N 62, HG3 61, HN 62, 
 286 119.318   8.010   7.977 1 U         -3.268e+04  0.00e+00 m   0 1112 1092 1113 0 #N 63, HN 62, HN 63, 
 287 119.318   3.616   7.977 1 U         -1.524e+03  0.00e+00 m   0 1112 1094 1113 0 #N 63, HA 62, HN 63, 
 288 119.318   1.763   7.977 1 U         -5.222e+03  0.00e+00 m   0 1112 1096 1113 0 #N 63, HB 62, HN 63, 
 289 119.318   0.160   7.977 1 U         -2.153e+03  0.00e+00 m   0 1112 1097 1113 0 #N 63, QG2 62, HN 63, 
 290 119.318   1.363   7.977 1 U         -1.265e+03  0.00e+00 m   0 1112 1103 1113 0 #N 63, HG12 62, HN 63, 
 291 119.318   0.931   7.977 1 U         -9.089e+03  0.00e+00 m   0 1112 1104 1113 0 #N 63, HG13 62, HN 63, 
 292 119.318   0.505   7.977 1 U         -4.110e+02  0.00e+00 m   0 1112 1106 1113 0 #N 63, QD1 62, HN 63, 
 293 118.712   7.977   7.843 1 U         -6.668e+03  0.00e+00 m   0 1130 1113 1131 0 #N 64, HN 63, HN 64, 
 294 118.712   3.241   7.843 1 U         -7.980e+02  0.00e+00 m   0 1130 1115 1131 0 #N 64, HA 63, HN 64, 
 295 118.712   2.102   7.843 1 U         -1.152e+04  0.00e+00 m   0 1130 1117 1131 0 #N 64, HB 63, HN 64, 
 296 118.712   0.897   7.843 1 U         -5.005e+03  0.00e+00 m   0 1130 1118 1131 0 #N 64, QG1 63, HN 64, 
 297 118.712   0.764   7.843 1 U         -3.386e+03  0.00e+00 m   0 1130 1119 1131 0 #N 64, QG2 63, HN 64, 
 298 121.376   7.843   8.435 1 U         -6.162e+03  0.00e+00 m   0 1155 1131 1156 0 #N 65, HN 64, HN 65, 
 299 121.376   4.025   8.435 1 U         -8.294e+03  0.00e+00 m   0 1155 1133 1156 0 #N 65, HA 64, HN 65, 
 300 121.376   1.806   8.435 1 U         -4.090e+03  0.00e+00 m   0 1155 1135 1156 0 #N 65, HB2 64, HN 65, 
 301 121.376   2.105   8.435 1 U         -5.093e+03  0.00e+00 m   0 1155 1136 1156 0 #N 65, HB3 64, HN 65, 
 302 121.376   1.480   8.435 1 U         -1.806e+03  0.00e+00 m   0 1155 1139 1156 0 #N 65, HG2 64, HN 65, 
 303 121.376   1.356   8.435 1 U         -2.867e+03  0.00e+00 m   0 1155 1140 1156 0 #N 65, HG3 64, HN 65, 
 304 121.376   1.693   8.435 1 U         -3.189e+03  0.00e+00 m   0 1155 1143 1156 0 #N 65, HD2 64, HN 65, 
 305 121.376   1.679   8.435 1 U         -3.189e+03  0.00e+00 m   0 1155 1144 1156 0 #N 65, HD3 64, HN 65, 
 306 121.376   2.980   8.435 1 U         -6.160e+02  0.00e+00 m   0 1155 1147 1156 0 #N 65, HE2 64, HN 65, 
 307 121.376   2.977   8.435 1 U         -6.160e+02  0.00e+00 m   0 1155 1148 1156 0 #N 65, HE3 64, HN 65, 
 308 117.017   8.435   8.203 1 U         -6.114e+03  0.00e+00 m   0 1180 1156 1181 0 #N 66, HN 65, HN 66, 
 309 117.017   4.002   8.203 1 U         -5.005e+03  0.00e+00 m   0 1180 1158 1181 0 #N 66, HA 65, HN 66, 
 310 117.017   1.945   8.203 1 U         -1.429e+04  0.00e+00 m   0 1180 1160 1181 0 #N 66, HB2 65, HN 66, 
 311 117.017   2.105   8.203 1 U         -8.380e+02  0.00e+00 m   0 1180 1161 1181 0 #N 66, HB3 65, HN 66, 
 312 117.017   1.485   8.203 1 U         -6.820e+02  0.00e+00 m   0 1180 1164 1181 0 #N 66, HG2 65, HN 66, 
 313 117.017   1.614   8.203 1 U         -6.620e+02  0.00e+00 m   0 1180 1165 1181 0 #N 66, HG3 65, HN 66, 
 314 117.017   1.699   8.203 1 U         -1.123e+03  0.00e+00 m   0 1180 1168 1181 0 #N 66, HD2 65, HN 66, 
 315 117.017   1.709   8.203 1 U         -1.235e+03  0.00e+00 m   0 1180 1169 1181 0 #N 66, HD3 65, HN 66, 
 316 117.017   2.983   8.203 1 U         -9.600e+01  0.00e+00 m   0 1180 1172 1181 0 #N 66, HE2 65, HN 66, 
 317 117.017   2.980   8.203 1 U         -9.600e+01  0.00e+00 m   0 1180 1173 1181 0 #N 66, HE3 65, HN 66, 
 318 106.361   8.203   7.840 1 U         -6.146e+03  0.00e+00 m   0 1202 1181 1203 0 #N 67, HN 66, HN 67, 
 319 106.361   4.155   7.840 1 U         -2.550e+03  0.00e+00 m   0 1202 1183 1203 0 #N 67, HA 66, HN 67, 
 320 106.361   1.884   7.840 1 U         -2.695e+03  0.00e+00 m   0 1202 1185 1203 0 #N 67, HB2 66, HN 67, 
 321 106.361   1.367   7.840 1 U         -1.840e+03  0.00e+00 m   0 1202 1186 1203 0 #N 67, HB3 66, HN 67, 
 322 106.361   1.902   7.840 1 U         -3.020e+03  0.00e+00 m   0 1202 1189 1203 0 #N 67, HG 66, HN 67, 
 323 106.361   0.957   7.840 1 U         -1.429e+03  0.00e+00 m   0 1202 1190 1203 0 #N 67, QD1 66, HN 67, 
 324 106.361   0.743   7.840 1 U         -1.425e+03  0.00e+00 m   0 1202 1191 1203 0 #N 67, QD2 66, HN 67, 
 325 118.591   7.840   6.758 1 U         -6.283e+03  0.00e+00 m   0 1209 1203 1210 0 #N 68, HN 67, HN 68, 
 326 117.017   6.758   8.861 1 U         -2.960e+02  0.00e+00 m   0 1219 1210 1220 0 #N 69, HN 68, HN 69, 
 327 117.017   4.165   8.861 1 U         -5.929e+03  0.00e+00 m   0 1219 1212 1220 0 #N 69, HA 68, HN 69, 
 328 117.017   1.244   8.861 1 U         -3.470e+03  0.00e+00 m   0 1219 1213 1220 0 #N 69, QB 68, HN 69, 
 329 118.228   8.861   7.394 1 U         -2.465e+03  0.00e+00 m   0 1230 1220 1231 0 #N 70, HN 69, HN 70, 
 330 118.228   4.868   7.394 1 U         -1.089e+03  0.00e+00 m   0 1230 1222 1231 0 #N 70, HA 69, HN 70, 
 331 118.228   2.834   7.394 1 U         -6.920e+02  0.00e+00 m   0 1230 1224 1231 0 #N 70, HB2 69, HN 70, 
 332 118.228   2.718   7.394 1 U         -5.040e+02  0.00e+00 m   0 1230 1225 1231 0 #N 70, HB3 69, HN 70, 
 333 125.933   7.394   9.040 1 U         -3.600e+02  0.00e+00 m   0 1251 1231 1252 0 #N 71, HN 70, HN 71, 
 334 125.933   4.943   9.040 1 U         -7.180e+03  0.00e+00 m   0 1251 1233 1252 0 #N 71, HA 70, HN 71, 
 335 125.933   1.827   9.040 1 U         -9.430e+02  0.00e+00 m   0 1251 1235 1252 0 #N 71, HB 70, HN 71, 
 336 125.933   0.800   9.040 1 U         -1.011e+04  0.00e+00 m   0 1251 1236 1252 0 #N 71, QG2 70, HN 71, 
 337 125.933   0.860   9.040 1 U         -1.733e+03  0.00e+00 m   0 1251 1242 1252 0 #N 71, HG12 70, HN 71, 
 338 125.933   1.240   9.040 1 U         -2.210e+02  0.00e+00 m   0 1251 1243 1252 0 #N 71, HG13 70, HN 71, 
 339 125.933   0.771   9.040 1 U         -9.962e+03  0.00e+00 m   0 1251 1245 1252 0 #N 71, QD1 70, HN 71, 
 340 126.725   9.040   9.511 1 U          3.500e+01  0.00e+00 m   0 1269 1252 1270 0 #N 72, HN 71, HN 72, 
 341 126.725   5.264   9.511 1 U         -1.789e+03  0.00e+00 m   0 1269 1254 1270 0 #N 72, HA 71, HN 72, 
 342 126.725   1.952   9.511 1 U         -2.410e+02  0.00e+00 m   0 1269 1256 1270 0 #N 72, HB 71, HN 72, 
 343 126.725   0.790   9.511 1 U         -2.107e+03  0.00e+00 m   0 1269 1257 1270 0 #N 72, QG1 71, HN 72, 
 344 126.725   0.820   9.511 1 U         -1.786e+03  0.00e+00 m   0 1269 1258 1270 0 #N 72, QG2 71, HN 72, 
 345 118.245   9.511   7.926 1 U         -4.020e+02  0.00e+00 m   0 1292 1270 1293 0 #N 73, HN 72, HN 73, 
 346 118.245   5.643   7.926 1 U         -9.850e+03  0.00e+00 m   0 1292 1272 1293 0 #N 73, HA 72, HN 73, 
 347 118.245   2.705   7.926 1 U         -9.710e+02  0.00e+00 m   0 1292 1274 1293 0 #N 73, HB2 72, HN 73, 
 348 118.245   3.228   7.926 1 U         -4.260e+02  0.00e+00 m   0 1292 1275 1293 0 #N 73, HB3 72, HN 73, 
 349 118.245   7.005   7.926 1 U         -8.540e+02  0.00e+00 m   0 1292 1283 1293 0 #N 73, HZ 72, HN 73, 
 350 118.245   7.000   7.926 1 U         -1.636e+03  0.00e+00 m   0 1292 1289 1293 0 #N 73, QD 72, HN 73, 
 351 118.245   7.150   7.926 1 U          1.840e+02  0.00e+00 m   0 1292 1290 1293 0 #N 73, QE 72, HN 73, 
 352 125.756   4.260   9.304 1 U         -3.410e+02  0.00e+00 m   0 1317 1305 1318 0 #N 75, HA 74, HN 75, 
 353 125.756   2.040   9.304 1 U         -3.210e+02  0.00e+00 m   0 1317 1307 1318 0 #N 75, HB2 74, HN 75, 
 354 125.756   2.040   9.304 1 U         -3.210e+02  0.00e+00 m   0 1317 1308 1318 0 #N 75, HB3 74, HN 75, 
 355 125.756   2.310   9.304 1 U          0.000e+00  0.00e+00 m   0 1317 1311 1318 0 #N 75, HG2 74, HN 75, 
 356 125.756   2.310   9.304 1 U          0.000e+00  0.00e+00 m   0 1317 1312 1318 0 #N 75, HG3 74, HN 75, 
 357 120.008   9.304   8.084 1 U         -9.500e+01  0.00e+00 m   0 1331 1318 1332 0 #N 76, HN 75, HN 76, 
 358 120.008   4.819   8.084 1 U         -1.874e+03  0.00e+00 m   0 1331 1320 1332 0 #N 76, HA 75, HN 76, 
 359 120.008   2.637   8.084 1 U         -4.400e+01  0.00e+00 m   0 1331 1322 1332 0 #N 76, HB2 75, HN 76, 
 360 120.008   3.136   8.084 1 U         -2.000e+01  0.00e+00 m   0 1331 1323 1332 0 #N 76, HB3 75, HN 76, 
 361 120.008   7.245   8.084 1 U          3.280e+02  0.00e+00 m   0 1331 1327 1332 0 #N 76, HD21 75, HN 76, 
 362 120.008   7.815   8.084 1 U         -1.930e+02  0.00e+00 m   0 1331 1328 1332 0 #N 76, HD22 75, HN 76, 
 363 119.681   8.084   8.017 1 U         -4.334e+03  0.00e+00 m   0 1357 1332 1358 0 #N 77, HN 76, HN 77, 
 364 119.681   3.890   8.017 1 U         -1.448e+03  0.00e+00 m   0 1357 1334 1358 0 #N 77, HA 76, HN 77, 
 365 119.681   1.838   8.017 1 U         -4.431e+03  0.00e+00 m   0 1357 1336 1358 0 #N 77, HB2 76, HN 77, 
 366 119.681   1.899   8.017 1 U         -5.326e+03  0.00e+00 m   0 1357 1337 1358 0 #N 77, HB3 76, HN 77, 
 367 119.681   1.619   8.017 1 U         -3.885e+03  0.00e+00 m   0 1357 1340 1358 0 #N 77, HG2 76, HN 77, 
 368 119.681   1.539   8.017 1 U         -1.806e+03  0.00e+00 m   0 1357 1341 1358 0 #N 77, HG3 76, HN 77, 
 369 119.681   3.201   8.017 1 U         -6.170e+02  0.00e+00 m   0 1357 1344 1358 0 #N 77, HD2 76, HN 77, 
 370 119.681   3.205   8.017 1 U         -6.010e+02  0.00e+00 m   0 1357 1345 1358 0 #N 77, HD3 76, HN 77, 
 371 119.923   8.017   8.299 1 U         -6.853e+03  0.00e+00 m   0 1368 1358 1369 0 #N 78, HN 77, HN 78, 
 372 119.923   4.366   8.299 1 U         -1.829e+03  0.00e+00 m   0 1368 1360 1369 0 #N 78, HA 77, HN 78, 
 373 119.923   2.827   8.299 1 U         -3.834e+03  0.00e+00 m   0 1368 1362 1369 0 #N 78, HB2 77, HN 78, 
 374 119.923   2.645   8.299 1 U         -4.925e+03  0.00e+00 m   0 1368 1363 1369 0 #N 78, HB3 77, HN 78, 
 375 120.650   8.299   7.699 1 U         -4.919e+03  0.00e+00 m   0 1389 1369 1390 0 #N 79, HN 78, HN 79, 
 376 120.650   3.607   7.699 1 U         -9.910e+02  0.00e+00 m   0 1389 1371 1390 0 #N 79, HA 78, HN 79, 
 377 120.650   1.682   7.699 1 U         -4.505e+03  0.00e+00 m   0 1389 1373 1390 0 #N 79, HB 78, HN 79, 
 378 120.650   0.880   7.699 1 U         -4.522e+03  0.00e+00 m   0 1389 1374 1390 0 #N 79, QG2 78, HN 79, 
 379 120.650   1.624   7.699 1 U         -2.445e+03  0.00e+00 m   0 1389 1380 1390 0 #N 79, HG12 78, HN 79, 
 380 120.650   1.017   7.699 1 U         -8.520e+02  0.00e+00 m   0 1389 1381 1390 0 #N 79, HG13 78, HN 79, 
 381 120.650   0.840   7.699 1 U         -2.687e+03  0.00e+00 m   0 1389 1383 1390 0 #N 79, QD1 78, HN 79, 
 382 114.474   7.699   7.996 1 U         -2.960e+03  0.00e+00 m   0 1399 1390 1400 0 #N 80, HN 79, HN 80, 
 383 114.474   3.783   7.996 1 U         -4.573e+03  0.00e+00 m   0 1399 1392 1400 0 #N 80, HA 79, HN 80, 
 384 114.474   1.420   7.996 1 U         -5.343e+03  0.00e+00 m   0 1399 1393 1400 0 #N 80, QB 79, HN 80, 
 385 117.986   7.996   7.634 1 U         -4.516e+03  0.00e+00 m   0 1424 1400 1425 0 #N 81, HN 80, HN 81, 
 386 117.986   3.790   7.634 1 U         -3.052e+03  0.00e+00 m   0 1424 1402 1425 0 #N 81, HA 80, HN 81, 
 387 117.986   1.895   7.634 1 U         -8.430e+03  0.00e+00 m   0 1424 1404 1425 0 #N 81, HB2 80, HN 81, 
 388 117.986   1.792   7.634 1 U         -1.019e+04  0.00e+00 m   0 1424 1405 1425 0 #N 81, HB3 80, HN 81, 
 389 117.986   1.652   7.634 1 U         -5.776e+03  0.00e+00 m   0 1424 1408 1425 0 #N 81, HG2 80, HN 81, 
 390 117.986   1.285   7.634 1 U         -1.177e+03  0.00e+00 m   0 1424 1409 1425 0 #N 81, HG3 80, HN 81, 
 391 117.986   1.645   7.634 1 U         -5.776e+03  0.00e+00 m   0 1424 1412 1425 0 #N 81, HD2 80, HN 81, 
 392 117.986   1.649   7.634 1 U         -5.776e+03  0.00e+00 m   0 1424 1413 1425 0 #N 81, HD3 80, HN 81, 
 393 117.986   2.787   7.634 1 U         -2.160e+02  0.00e+00 m   0 1424 1416 1425 0 #N 81, HE2 80, HN 81, 
 394 117.986   2.780   7.634 1 U         -2.160e+02  0.00e+00 m   0 1424 1417 1425 0 #N 81, HE3 80, HN 81, 
 395 117.623   7.634   8.162 1 U         -5.302e+03  0.00e+00 m   0 1449 1425 1450 0 #N 82, HN 81, HN 82, 
 396 117.623   3.958   8.162 1 U         -3.533e+03  0.00e+00 m   0 1449 1427 1450 0 #N 82, HA 81, HN 82, 
 397 117.623   1.784   8.162 1 U         -7.214e+03  0.00e+00 m   0 1449 1429 1450 0 #N 82, HB2 81, HN 82, 
 398 117.623   1.954   8.162 1 U         -1.068e+04  0.00e+00 m   0 1449 1430 1450 0 #N 82, HB3 81, HN 82, 
 399 117.623   1.414   8.162 1 U         -1.965e+03  0.00e+00 m   0 1449 1433 1450 0 #N 82, HG2 81, HN 82, 
 400 117.623   1.609   8.162 1 U         -1.032e+03  0.00e+00 m   0 1449 1434 1450 0 #N 82, HG3 81, HN 82, 
 401 117.623   1.610   8.162 1 U         -1.032e+03  0.00e+00 m   0 1449 1437 1450 0 #N 82, HD2 81, HN 82, 
 402 117.623   1.610   8.162 1 U         -1.032e+03  0.00e+00 m   0 1449 1438 1450 0 #N 82, HD3 81, HN 82, 
 403 117.623   2.891   8.162 1 U          4.200e+01  0.00e+00 m   0 1449 1441 1450 0 #N 82, HE2 81, HN 82, 
 404 117.623   2.891   8.162 1 U          4.200e+01  0.00e+00 m   0 1449 1442 1450 0 #N 82, HE3 81, HN 82, 
 405 118.228   8.162   8.030 1 U         -5.142e+03  0.00e+00 m   0 1470 1450 1471 0 #N 83, HN 82, HN 83, 
 406 118.228   3.583   8.030 1 U         -1.377e+03  0.00e+00 m   0 1470 1452 1471 0 #N 83, HA 82, HN 83, 
 407 118.228   1.948   8.030 1 U         -2.932e+03  0.00e+00 m   0 1470 1454 1471 0 #N 83, HB 82, HN 83, 
 408 118.228   0.887   8.030 1 U         -3.108e+03  0.00e+00 m   0 1470 1455 1471 0 #N 83, QG2 82, HN 83, 
 409 118.228   0.948   8.030 1 U         -6.042e+03  0.00e+00 m   0 1470 1461 1471 0 #N 83, HG12 82, HN 83, 
 410 118.228   1.814   8.030 1 U         -7.123e+03  0.00e+00 m   0 1470 1462 1471 0 #N 83, HG13 82, HN 83, 
 411 118.228   0.706   8.030 1 U         -3.024e+03  0.00e+00 m   0 1470 1464 1471 0 #N 83, QD1 82, HN 83, 
 412 117.380   8.030   7.399 1 U         -3.237e+03  0.00e+00 m   0 1491 1471 1492 0 #N 84, HN 83, HN 84, 
 413 117.380   3.969   7.399 1 U         -1.775e+03  0.00e+00 m   0 1491 1473 1492 0 #N 84, HA 83, HN 84, 
 414 117.380   1.824   7.399 1 U         -8.737e+03  0.00e+00 m   0 1491 1475 1492 0 #N 84, HB 83, HN 84, 
 415 117.380   0.951   7.399 1 U         -3.173e+03  0.00e+00 m   0 1491 1476 1492 0 #N 84, QG2 83, HN 84, 
 416 117.380   1.563   7.399 1 U         -1.032e+03  0.00e+00 m   0 1491 1482 1492 0 #N 84, HG12 83, HN 84, 
 417 117.380   1.221   7.399 1 U         -1.770e+02  0.00e+00 m   0 1491 1483 1492 0 #N 84, HG13 83, HN 84, 
 418 117.380   0.771   7.399 1 U         -8.140e+02  0.00e+00 m   0 1491 1485 1492 0 #N 84, QD1 83, HN 84, 
 419 117.138   7.399   7.438 1 U         -1.900e+04  0.00e+00 m   0 1517 1492 1518 0 #N 85, HN 84, HN 85, 
 420 117.138   4.136   7.438 1 U         -2.465e+03  0.00e+00 m   0 1517 1494 1518 0 #N 85, HA 84, HN 85, 
 421 117.138   1.845   7.438 1 U         -9.066e+03  0.00e+00 m   0 1517 1496 1518 0 #N 85, HB2 84, HN 85, 
 422 117.138   1.924   7.438 1 U         -3.533e+03  0.00e+00 m   0 1517 1497 1518 0 #N 85, HB3 84, HN 85, 
 423 117.138   1.845   7.438 1 U         -9.066e+03  0.00e+00 m   0 1517 1500 1518 0 #N 85, HG2 84, HN 85, 
 424 117.138   1.712   7.438 1 U         -1.991e+03  0.00e+00 m   0 1517 1501 1518 0 #N 85, HG3 84, HN 85, 
 425 117.138   3.130   7.438 1 U         -3.830e+02  0.00e+00 m   0 1517 1504 1518 0 #N 85, HD2 84, HN 85, 
 426 117.138   3.173   7.438 1 U         -3.640e+02  0.00e+00 m   0 1517 1505 1518 0 #N 85, HD3 84, HN 85, 
 427 121.134   7.438   8.303 1 U         -1.178e+04  0.00e+00 m   0 1542 1518 1543 0 #N 86, HN 85, HN 86, 
 428 121.134   4.325   8.303 1 U         -2.928e+03  0.00e+00 m   0 1542 1520 1543 0 #N 86, HA 85, HN 86, 
 429 121.134   1.806   8.303 1 U         -1.504e+04  0.00e+00 m   0 1542 1522 1543 0 #N 86, HB2 85, HN 86, 
 430 121.134   1.803   8.303 1 U         -1.504e+04  0.00e+00 m   0 1542 1523 1543 0 #N 86, HB3 85, HN 86, 
 431 121.134   1.442   8.303 1 U         -3.948e+03  0.00e+00 m   0 1542 1526 1543 0 #N 86, HG2 85, HN 86, 
 432 121.134   1.531   8.303 1 U         -6.443e+03  0.00e+00 m   0 1542 1527 1543 0 #N 86, HG3 85, HN 86, 
 433 121.134   1.624   8.303 1 U         -7.150e+02  0.00e+00 m   0 1542 1530 1543 0 #N 86, HD2 85, HN 86, 
 434 121.134   1.717   8.303 1 U         -1.914e+03  0.00e+00 m   0 1542 1531 1543 0 #N 86, HD3 85, HN 86, 
 435 121.134   2.923   8.303 1 U         -2.320e+02  0.00e+00 m   0 1542 1534 1543 0 #N 86, HE2 85, HN 86, 
 436 121.134   2.923   8.303 1 U         -2.320e+02  0.00e+00 m   0 1542 1535 1543 0 #N 86, HE3 85, HN 86, 
 437 119.318   8.303   8.134 1 U         -1.243e+03  0.00e+00 m   0 1564 1543 1565 0 #N 87, HN 86, HN 87, 
 438 119.318   4.654   8.134 1 U         -5.383e+03  0.00e+00 m   0 1564 1545 1565 0 #N 87, HA 86, HN 87, 
 439 119.318   1.784   8.134 1 U         -4.226e+03  0.00e+00 m   0 1564 1547 1565 0 #N 87, HB2 86, HN 87, 
 440 119.318   1.476   8.134 1 U         -3.325e+03  0.00e+00 m   0 1564 1548 1565 0 #N 87, HB3 86, HN 87, 
 441 119.318   1.538   8.134 1 U         -4.820e+02  0.00e+00 m   0 1564 1551 1565 0 #N 87, HG 86, HN 87, 
 442 119.318   0.921   8.134 1 U         -1.937e+03  0.00e+00 m   0 1564 1552 1565 0 #N 87, QD1 86, HN 87, 
 443 119.318   0.924   8.134 1 U         -1.937e+03  0.00e+00 m   0 1564 1553 1565 0 #N 87, QD2 86, HN 87, 
 444 115.443   8.134   8.756 1 U         -7.740e+02  0.00e+00 m   0 1589 1565 1590 0 #N 88, HN 87, HN 88, 
 445 115.443   4.285   8.756 1 U         -2.968e+03  0.00e+00 m   0 1589 1567 1590 0 #N 88, HA 87, HN 88, 
 446 115.443   1.824   8.756 1 U         -2.904e+03  0.00e+00 m   0 1589 1569 1590 0 #N 88, HB2 87, HN 88, 
 447 115.443   1.816   8.756 1 U         -2.904e+03  0.00e+00 m   0 1589 1570 1590 0 #N 88, HB3 87, HN 88, 
 448 115.443   1.456   8.756 1 U         -1.079e+03  0.00e+00 m   0 1589 1573 1590 0 #N 88, HG2 87, HN 88, 
 449 115.443   1.438   8.756 1 U         -1.257e+03  0.00e+00 m   0 1589 1574 1590 0 #N 88, HG3 87, HN 88, 
 450 115.443   1.699   8.756 1 U         -1.180e+02  0.00e+00 m   0 1589 1577 1590 0 #N 88, HD2 87, HN 88, 
 451 115.443   1.709   8.756 1 U         -5.310e+02  0.00e+00 m   0 1589 1578 1590 0 #N 88, HD3 87, HN 88, 
 452 115.443   2.916   8.756 1 U         -1.490e+02  0.00e+00 m   0 1589 1581 1590 0 #N 88, HE2 87, HN 88, 
 453 115.443   2.926   8.756 1 U         -1.490e+02  0.00e+00 m   0 1589 1582 1590 0 #N 88, HE3 87, HN 88, 
 454 119.318   8.756   7.269 1 U         -1.894e+03  0.00e+00 m   0 1603 1590 1604 0 #N 89, HN 88, HN 89, 
 455 119.318   4.711   7.269 1 U         -3.225e+03  0.00e+00 m   0 1603 1592 1604 0 #N 89, HA 88, HN 89, 
 456 119.318   2.844   7.269 1 U         -1.329e+03  0.00e+00 m   0 1603 1594 1604 0 #N 89, HB2 88, HN 89, 
 457 119.318   2.794   7.269 1 U         -1.124e+03  0.00e+00 m   0 1603 1595 1604 0 #N 89, HB3 88, HN 89, 
 458 119.318   6.906   7.269 1 U          1.750e+02  0.00e+00 m   0 1603 1599 1604 0 #N 89, HD21 88, HN 89, 
 459 119.318   7.685   7.269 1 U          9.400e+01  0.00e+00 m   0 1603 1600 1604 0 #N 89, HD22 88, HN 89, 
 460 124.888   7.269   7.855 1 U         -3.570e+02  0.00e+00 m   0 1624 1604 1625 0 #N 90, HN 89, HN 90, 
 461 124.888   4.325   7.855 1 U         -3.426e+03  0.00e+00 m   0 1624 1606 1625 0 #N 90, HA 89, HN 90, 
 462 124.888   1.756   7.855 1 U         -1.168e+03  0.00e+00 m   0 1624 1608 1625 0 #N 90, HB 89, HN 90, 
 463 124.888   0.787   7.855 1 U         -1.886e+03  0.00e+00 m   0 1624 1609 1625 0 #N 90, QG2 89, HN 90, 
 464 124.888   1.274   7.855 1 U         -9.880e+02  0.00e+00 m   0 1624 1615 1625 0 #N 90, HG12 89, HN 90, 
 465 124.888   1.117   7.855 1 U         -1.146e+03  0.00e+00 m   0 1624 1616 1625 0 #N 90, HG13 89, HN 90, 
 466 124.888   0.700   7.855 1 U         -1.586e+03  0.00e+00 m   0 1624 1618 1625 0 #N 90, QD1 89, HN 90, 
 467 126.510   7.855   8.816 1 U         -5.160e+02  0.00e+00 m   0 1645 1625 1646 0 #N 91, HN 90, HN 91, 
 468 126.510   4.872   8.816 1 U         -9.475e+03  0.00e+00 m   0 1645 1627 1646 0 #N 91, HA 90, HN 91, 
 469 126.510   2.027   8.816 1 U         -2.687e+03  0.00e+00 m   0 1645 1629 1646 0 #N 91, HB 90, HN 91, 
 470 126.510   0.934   8.816 1 U         -4.760e+03  0.00e+00 m   0 1645 1630 1646 0 #N 91, QG2 90, HN 91, 
 471 126.510   1.833   8.816 1 U         -4.840e+03  0.00e+00 m   0 1645 1636 1646 0 #N 91, HG12 90, HN 91, 
 472 126.510   1.106   8.816 1 U         -6.580e+02  0.00e+00 m   0 1645 1637 1646 0 #N 91, HG13 90, HN 91, 
 473 126.510   0.910   8.816 1 U         -5.126e+03  0.00e+00 m   0 1645 1639 1646 0 #N 91, QD1 90, HN 91, 
 474 126.012   8.816   9.298 1 U         -6.370e+02  0.00e+00 m   0 1666 1646 1667 0 #N 92, HN 91, HN 92, 
 475 126.012   5.224   9.298 1 U         -9.978e+03  0.00e+00 m   0 1666 1648 1667 0 #N 92, HA 91, HN 92, 
 476 126.012   1.841   9.298 1 U         -9.030e+02  0.00e+00 m   0 1666 1650 1667 0 #N 92, HB 91, HN 92, 
 477 126.012   0.706   9.298 1 U         -7.680e+03  0.00e+00 m   0 1666 1651 1667 0 #N 92, QG2 91, HN 92, 
 478 126.012   1.330   9.298 1 U         -1.161e+03  0.00e+00 m   0 1666 1657 1667 0 #N 92, HG12 91, HN 92, 
 479 126.012   1.327   9.298 1 U         -1.161e+03  0.00e+00 m   0 1666 1658 1667 0 #N 92, HG13 91, HN 92, 
 480 126.012   0.717   9.298 1 U         -6.403e+03  0.00e+00 m   0 1666 1660 1667 0 #N 92, QD1 91, HN 92, 
 481 110.720   9.298   8.266 1 U         -9.380e+02  0.00e+00 m   0 1688 1667 1689 0 #N 93, HN 92, HN 93, 
 482 110.720   5.383   8.266 1 U         -9.260e+03  0.00e+00 m   0 1688 1669 1689 0 #N 93, HA 92, HN 93, 
 483 110.720   1.648   8.266 1 U         -1.542e+03  0.00e+00 m   0 1688 1671 1689 0 #N 93, HB2 92, HN 93, 
 484 110.720   1.491   8.266 1 U         -1.642e+03  0.00e+00 m   0 1688 1672 1689 0 #N 93, HB3 92, HN 93, 
 485 110.720   1.631   8.266 1 U         -1.293e+03  0.00e+00 m   0 1688 1675 1689 0 #N 93, HG 92, HN 93, 
 486 110.720   0.746   8.266 1 U         -4.084e+03  0.00e+00 m   0 1688 1676 1689 0 #N 93, QD1 92, HN 93, 
 487 110.720   0.835   8.266 1 U         -5.664e+03  0.00e+00 m   0 1688 1677 1689 0 #N 93, QD2 92, HN 93, 
 488 122.365   8.266   8.139 1 U         -5.290e+02  0.00e+00 m   0 1698 1689 1699 0 #N 94, HN 93, HN 94, 
 489 122.365   3.929   8.139 1 U         -2.170e+03  0.00e+00 m   0 1698 1691 1699 0 #N 94, HA 93, HN 94, 
 490 122.365   3.108   8.139 1 U         -1.072e+03  0.00e+00 m   0 1698 1693 1699 0 #N 94, HB2 93, HN 94, 
 491 122.365   3.687   8.139 1 U         -3.900e+02  0.00e+00 m   0 1698 1694 1699 0 #N 94, HB3 93, HN 94, 
 492 121.561   8.139   8.131 1 U         -4.075e+04  0.00e+00 m   0 1712 1699 1713 0 #N 95, HN 94, HN 95, 
 493 121.561   5.249   8.131 1 U         -1.107e+03  0.00e+00 m   0 1712 1701 1713 0 #N 95, HA 94, HN 95, 
 494 121.561   3.085   8.131 1 U         -9.700e+02  0.00e+00 m   0 1712 1703 1713 0 #N 95, HB2 94, HN 95, 
 495 121.561   3.412   8.131 1 U         -1.410e+02  0.00e+00 m   0 1712 1704 1713 0 #N 95, HB3 94, HN 95, 
 496 121.561   7.933   8.131 1 U         -3.050e+02  0.00e+00 m   0 1712 1708 1713 0 #N 95, HD21 94, HN 95, 
 497 121.561   7.213   8.131 1 U         -1.210e+02  0.00e+00 m   0 1712 1709 1713 0 #N 95, HD22 94, HN 95, 
 498 126.341   8.131   8.953 1 U         -1.271e+03  0.00e+00 m   0 1723 1713 1724 0 #N 96, HN 95, HN 96, 
 499 126.341   4.815   8.953 1 U         -9.962e+03  0.00e+00 m   0 1723 1715 1724 0 #N 96, HA 95, HN 96, 
 500 126.341   2.991   8.953 1 U         -7.890e+02  0.00e+00 m   0 1723 1717 1724 0 #N 96, HB2 95, HN 96, 
 501 126.341   2.552   8.953 1 U         -9.230e+02  0.00e+00 m   0 1723 1718 1724 0 #N 96, HB3 95, HN 96, 
 502 118.228   8.953   8.189 1 U         -4.766e+03  0.00e+00 m   0 1738 1724 1739 0 #N 97, HN 96, HN 97, 
 503 118.228   3.755   8.189 1 U         -2.383e+03  0.00e+00 m   0 1738 1726 1739 0 #N 97, HA 96, HN 97, 
 504 118.228   2.086   8.189 1 U         -6.990e+03  0.00e+00 m   0 1738 1728 1739 0 #N 97, HB2 96, HN 97, 
 505 118.228   2.021   8.189 1 U         -4.328e+03  0.00e+00 m   0 1738 1729 1739 0 #N 97, HB3 96, HN 97, 
 506 118.228   2.291   8.189 1 U         -1.743e+03  0.00e+00 m   0 1738 1732 1739 0 #N 97, HG2 96, HN 97, 
 507 118.228   2.236   8.189 1 U         -6.564e+03  0.00e+00 m   0 1738 1733 1739 0 #N 97, HG3 96, HN 97, 
 508 122.830   8.189   7.730 1 U         -9.994e+03  0.00e+00 m   0 1756 1739 1757 0 #N 98, HN 97, HN 98, 
 509 122.830   4.026   7.730 1 U         -2.554e+03  0.00e+00 m   0 1756 1741 1757 0 #N 98, HA 97, HN 98, 
 510 122.830   2.197   7.730 1 U         -4.522e+03  0.00e+00 m   0 1756 1743 1757 0 #N 98, HB2 97, HN 98, 
 511 122.830   2.145   7.730 1 U         -7.589e+03  0.00e+00 m   0 1756 1744 1757 0 #N 98, HB3 97, HN 98, 
 512 122.830   2.469   7.730 1 U         -7.830e+02  0.00e+00 m   0 1756 1747 1757 0 #N 98, HG2 97, HN 98, 
 513 122.830   2.412   7.730 1 U         -1.225e+03  0.00e+00 m   0 1756 1748 1757 0 #N 98, HG3 97, HN 98, 
 514 122.830   6.913   7.730 1 U         -6.000e+00  0.00e+00 m   0 1756 1752 1757 0 #N 98, HE21 97, HN 98, 
 515 122.830   7.819   7.730 1 U         -1.508e+03  0.00e+00 m   0 1756 1753 1757 0 #N 98, HE22 97, HN 98, 
 516 118.228   7.730   7.869 1 U         -2.490e+03  0.00e+00 m   0 1778 1757 1779 0 #N 99, HN 98, HN 99, 
 517 118.228   3.954   7.869 1 U         -2.482e+03  0.00e+00 m   0 1778 1759 1779 0 #N 99, HA 98, HN 99, 
 518 118.228   1.488   7.869 1 U         -1.940e+03  0.00e+00 m   0 1778 1761 1779 0 #N 99, HB2 98, HN 99, 
 519 118.228   2.102   7.869 1 U         -1.256e+04  0.00e+00 m   0 1778 1762 1779 0 #N 99, HB3 98, HN 99, 
 520 118.228   1.435   7.869 1 U         -1.937e+03  0.00e+00 m   0 1778 1765 1779 0 #N 99, HG 98, HN 99, 
 521 118.228   0.832   7.869 1 U         -1.297e+04  0.00e+00 m   0 1778 1766 1779 0 #N 99, QD1 98, HN 99, 
 522 118.228   0.771   7.869 1 U         -7.487e+03  0.00e+00 m   0 1778 1767 1779 0 #N 99, QD2 98, HN 99, 
 523 117.259   7.869   7.696 1 U         -6.877e+03  0.00e+00 m   0 1796 1779 1797 0 #N 100, HN 99, HN 100, 
 524 117.259   3.223   7.696 1 U         -1.622e+03  0.00e+00 m   0 1796 1781 1797 0 #N 100, HA 99, HN 100, 
 525 117.259   2.084   7.696 1 U         -7.442e+03  0.00e+00 m   0 1796 1783 1797 0 #N 100, HB 99, HN 100, 
 526 117.259   0.826   7.696 1 U         -3.361e+03  0.00e+00 m   0 1796 1784 1797 0 #N 100, QG1 99, HN 100, 
 527 117.259   0.735   7.696 1 U         -4.533e+03  0.00e+00 m   0 1796 1785 1797 0 #N 100, QG2 99, HN 100, 
 528 119.318   7.696   8.049 1 U         -7.623e+03  0.00e+00 m   0 1821 1797 1822 0 #N 101, HN 100, HN 101, 
 529 119.318   3.997   8.049 1 U         -9.010e+03  0.00e+00 m   0 1821 1799 1822 0 #N 101, HA 100, HN 101, 
 530 119.318   1.869   8.049 1 U         -6.355e+03  0.00e+00 m   0 1821 1801 1822 0 #N 101, HB2 100, HN 101, 
 531 119.318   1.930   8.049 1 U         -4.073e+03  0.00e+00 m   0 1821 1802 1822 0 #N 101, HB3 100, HN 101, 
 532 119.318   1.618   8.049 1 U         -2.158e+03  0.00e+00 m   0 1821 1805 1822 0 #N 101, HG2 100, HN 101, 
 533 119.318   1.468   8.049 1 U         -1.053e+03  0.00e+00 m   0 1821 1806 1822 0 #N 101, HG3 100, HN 101, 
 534 119.318   1.702   8.049 1 U         -2.360e+03  0.00e+00 m   0 1821 1809 1822 0 #N 101, HD2 100, HN 101, 
 535 119.318   1.706   8.049 1 U         -2.360e+03  0.00e+00 m   0 1821 1810 1822 0 #N 101, HD3 100, HN 101, 
 536 119.318   2.981   8.049 1 U         -1.490e+02  0.00e+00 m   0 1821 1813 1822 0 #N 101, HE2 100, HN 101, 
 537 119.318   2.986   8.049 1 U         -1.630e+02  0.00e+00 m   0 1821 1814 1822 0 #N 101, HE3 100, HN 101, 
 538 119.318   8.049   8.625 1 U         -7.294e+03  0.00e+00 m   0 1836 1822 1837 0 #N 102, HN 101, HN 102, 
 539 119.318   3.991   8.625 1 U         -3.341e+03  0.00e+00 m   0 1836 1824 1837 0 #N 102, HA 101, HN 102, 
 540 119.318   2.162   8.625 1 U         -5.696e+03  0.00e+00 m   0 1836 1826 1837 0 #N 102, HB2 101, HN 102, 
 541 119.318   2.062   8.625 1 U         -4.351e+03  0.00e+00 m   0 1836 1827 1837 0 #N 102, HB3 101, HN 102, 
 542 119.318   2.160   8.625 1 U         -5.696e+03  0.00e+00 m   0 1836 1830 1837 0 #N 102, HG2 101, HN 102, 
 543 119.318   2.433   8.625 1 U         -7.430e+02  0.00e+00 m   0 1836 1831 1837 0 #N 102, HG3 101, HN 102, 
 544 117.017   8.625   8.167 1 U         -5.230e+03  0.00e+00 m   0 1858 1837 1859 0 #N 103, HN 102, HN 103, 
 545 117.017   4.060   8.167 1 U         -1.745e+03  0.00e+00 m   0 1858 1839 1859 0 #N 103, HA 102, HN 103, 
 546 117.017   1.893   8.167 1 U         -6.741e+03  0.00e+00 m   0 1858 1841 1859 0 #N 103, HB2 102, HN 103, 
 547 117.017   1.330   8.167 1 U         -2.340e+03  0.00e+00 m   0 1858 1842 1859 0 #N 103, HB3 102, HN 103, 
 548 117.017   1.906   8.167 1 U         -6.741e+03  0.00e+00 m   0 1858 1845 1859 0 #N 103, HG 102, HN 103, 
 549 117.017   0.760   8.167 1 U         -3.056e+03  0.00e+00 m   0 1858 1846 1859 0 #N 103, QD1 102, HN 103, 
 550 117.017   0.724   8.167 1 U         -3.494e+03  0.00e+00 m   0 1858 1847 1859 0 #N 103, QD2 102, HN 103, 
 551 116.654   8.167   7.369 1 U         -5.961e+03  0.00e+00 m   0 1876 1859 1877 0 #N 104, HN 103, HN 104, 
 552 116.654   3.990   7.369 1 U         -5.375e+03  0.00e+00 m   0 1876 1861 1877 0 #N 104, HA 103, HN 104, 
 553 116.654   2.153   7.369 1 U         -3.169e+03  0.00e+00 m   0 1876 1863 1877 0 #N 104, HB2 103, HN 104, 
 554 116.654   1.966   7.369 1 U         -2.008e+04  0.00e+00 m   0 1876 1864 1877 0 #N 104, HB3 103, HN 104, 
 555 116.654   2.328   7.369 1 U         -1.197e+03  0.00e+00 m   0 1876 1867 1877 0 #N 104, HG2 103, HN 104, 
 556 116.654   2.606   7.369 1 U         -9.180e+02  0.00e+00 m   0 1876 1868 1877 0 #N 104, HG3 103, HN 104, 
 557 116.654   7.145   7.369 1 U         -6.700e+02  0.00e+00 m   0 1876 1872 1877 0 #N 104, HE21 103, HN 104, 
 558 116.654   6.701   7.369 1 U         -4.180e+02  0.00e+00 m   0 1876 1873 1877 0 #N 104, HE22 103, HN 104, 
 559 116.896   7.369   7.521 1 U         -7.419e+03  0.00e+00 m   0 1901 1877 1902 0 #N 105, HN 104, HN 105, 
 560 116.896   4.125   7.521 1 U         -2.803e+03  0.00e+00 m   0 1901 1879 1902 0 #N 105, HA 104, HN 105, 
 561 116.896   1.940   7.521 1 U         -6.250e+03  0.00e+00 m   0 1901 1881 1902 0 #N 105, HB2 104, HN 105, 
 562 116.896   1.940   7.521 1 U         -6.250e+03  0.00e+00 m   0 1901 1882 1902 0 #N 105, HB3 104, HN 105, 
 563 116.896   1.494   7.521 1 U         -7.970e+02  0.00e+00 m   0 1901 1885 1902 0 #N 105, HG2 104, HN 105, 
 564 116.896   1.609   7.521 1 U         -9.790e+02  0.00e+00 m   0 1901 1886 1902 0 #N 105, HG3 104, HN 105, 
 565 116.896   1.723   7.521 1 U         -9.210e+02  0.00e+00 m   0 1901 1889 1902 0 #N 105, HD2 104, HN 105, 
 566 116.896   1.723   7.521 1 U         -9.210e+02  0.00e+00 m   0 1901 1890 1902 0 #N 105, HD3 104, HN 105, 
 567 116.896   2.930   7.521 1 U         -2.220e+02  0.00e+00 m   0 1901 1893 1902 0 #N 105, HE2 104, HN 105, 
 568 116.896   2.930   7.521 1 U         -2.220e+02  0.00e+00 m   0 1901 1894 1902 0 #N 105, HE3 104, HN 105, 
 569 122.830   7.521   7.971 1 U         -6.580e+03  0.00e+00 m   0 1916 1902 1917 0 #N 106, HN 105, HN 106, 
 570 122.830   4.252   7.971 1 U         -4.317e+03  0.00e+00 m   0 1916 1904 1917 0 #N 106, HA 105, HN 106, 
 571 122.830   2.079   7.971 1 U         -4.010e+03  0.00e+00 m   0 1916 1906 1917 0 #N 106, HB2 105, HN 106, 
 572 122.830   2.048   7.971 1 U         -3.641e+03  0.00e+00 m   0 1916 1907 1917 0 #N 106, HB3 105, HN 106, 
 573 122.830   2.276   7.971 1 U         -2.224e+03  0.00e+00 m   0 1916 1910 1917 0 #N 106, HG2 105, HN 106, 
 574 122.830   2.289   7.971 1 U         -2.224e+03  0.00e+00 m   0 1916 1911 1917 0 #N 106, HG3 105, HN 106, 
 575 119.197   4.431   8.540 1 U         -2.255e+03  0.00e+00 m   0 1936 1929 1937 0 #N 108, HA 107, HN 108, 
 576 119.197   3.900   8.540 1 U         -8.610e+02  0.00e+00 m   0 1936 1931 1937 0 #N 108, HB2 107, HN 108, 
 577 119.197   4.011   8.540 1 U         -1.522e+03  0.00e+00 m   0 1936 1932 1937 0 #N 108, HB3 107, HN 108, 
 578 122.103   8.540   7.750 1 U         -1.837e+03  0.00e+00 m   0 1947 1937 1948 0 #N 109, HN 108, HN 109, 
 579 122.103   4.631   7.750 1 U         -4.056e+03  0.00e+00 m   0 1947 1939 1948 0 #N 109, HA 108, HN 109, 
 580 122.103   2.743   7.750 1 U         -1.261e+03  0.00e+00 m   0 1947 1941 1948 0 #N 109, HB2 108, HN 109, 
 581 122.103   2.700   7.750 1 U         -1.464e+03  0.00e+00 m   0 1947 1942 1948 0 #N 109, HB3 108, HN 109, 
 582 121.611   7.750   8.435 1 U         -7.310e+02  0.00e+00 m   0 1957 1948 1958 0 #N 110, HN 109, HN 110, 
 583 121.611   4.405   8.435 1 U         -2.471e+03  0.00e+00 m   0 1957 1950 1958 0 #N 110, HA 109, HN 110, 
 584 121.611   1.360   8.435 1 U         -2.050e+03  0.00e+00 m   0 1957 1951 1958 0 #N 110, QB 109, HN 110, 
 585 120.232   8.435   7.308 1 U         -1.042e+03  0.00e+00 m   0 1983 1958 1984 0 #N 111, HN 110, HN 111, 
 586 120.232   4.457   7.308 1 U         -5.182e+03  0.00e+00 m   0 1983 1960 1984 0 #N 111, HA 110, HN 111, 
 587 120.232   1.927   7.308 1 U         -4.530e+02  0.00e+00 m   0 1983 1962 1984 0 #N 111, HB2 110, HN 111, 
 588 120.232   1.797   7.308 1 U         -6.190e+02  0.00e+00 m   0 1983 1963 1984 0 #N 111, HB3 110, HN 111, 
 589 120.232   1.615   7.308 1 U         -2.030e+02  0.00e+00 m   0 1983 1966 1984 0 #N 111, HG2 110, HN 111, 
 590 120.232   1.728   7.308 1 U         -1.656e+03  0.00e+00 m   0 1983 1967 1984 0 #N 111, HG3 110, HN 111, 
 591 120.232   3.209   7.308 1 U         -4.420e+02  0.00e+00 m   0 1983 1970 1984 0 #N 111, HD2 110, HN 111, 
 592 120.232   3.211   7.308 1 U         -4.420e+02  0.00e+00 m   0 1983 1971 1984 0 #N 111, HD3 110, HN 111, 
 593 123.092   7.308   8.924 1 U         -2.270e+02  0.00e+00 m   0 2001 1984 2002 0 #N 112, HN 111, HN 112, 
 594 123.092   5.293   8.924 1 U         -6.588e+03  0.00e+00 m   0 2001 1986 2002 0 #N 112, HA 111, HN 112, 
 595 123.092   1.724   8.924 1 U         -7.970e+02  0.00e+00 m   0 2001 1988 2002 0 #N 112, HB 111, HN 112, 
 596 123.092   0.841   8.924 1 U         -3.486e+03  0.00e+00 m   0 2001 1989 2002 0 #N 112, QG1 111, HN 112, 
 597 123.092   0.710   8.924 1 U         -2.711e+03  0.00e+00 m   0 2001 1990 2002 0 #N 112, QG2 111, HN 112, 
 598 120.428   8.924   8.938 1 U         -2.900e+04  0.00e+00 m   0 2024 2002 2025 0 #N 113, HN 112, HN 113, 
 599 120.428   4.821   8.938 1 U         -1.166e+04  0.00e+00 m   0 2024 2004 2025 0 #N 113, HA 112, HN 113, 
 600 120.428   2.564   8.938 1 U         -5.873e+03  0.00e+00 m   0 2024 2006 2025 0 #N 113, HB2 112, HN 113, 
 601 120.428   3.040   8.938 1 U         -2.679e+03  0.00e+00 m   0 2024 2007 2025 0 #N 113, HB3 112, HN 113, 
 602 120.428   7.195   8.938 1 U         -3.620e+02  0.00e+00 m   0 2024 2015 2025 0 #N 113, HZ 112, HN 113, 
 603 120.428   7.095   8.938 1 U         -1.283e+03  0.00e+00 m   0 2024 2021 2025 0 #N 113, QD 112, HN 113, 
 604 120.428   7.125   8.938 1 U         -1.321e+03  0.00e+00 m   0 2024 2022 2025 0 #N 113, QE 112, HN 113, 
 605 122.607   8.938   8.545 1 U         -8.620e+02  0.00e+00 m   0 2038 2025 2039 0 #N 114, HN 113, HN 114, 
 606 122.607   5.357   8.545 1 U         -8.464e+03  0.00e+00 m   0 2038 2027 2039 0 #N 114, HA 113, HN 114, 
 607 122.607   2.567   8.545 1 U         -1.171e+03  0.00e+00 m   0 2038 2029 2039 0 #N 114, HB2 113, HN 114, 
 608 122.607   2.940   8.545 1 U         -7.660e+02  0.00e+00 m   0 2038 2030 2039 0 #N 114, HB3 113, HN 114, 
 609 122.607   7.255   8.545 1 U         -7.670e+02  0.00e+00 m   0 2038 2034 2039 0 #N 114, HD21 113, HN 114, 
 610 122.607   6.575   8.545 1 U         -3.500e+02  0.00e+00 m   0 2038 2035 2039 0 #N 114, HD22 113, HN 114, 
 611 120.642   8.545   9.249 1 U         -2.780e+02  0.00e+00 m   0 2056 2039 2057 0 #N 115, HN 114, HN 115, 
 612 120.642   4.352   9.249 1 U         -3.698e+03  0.00e+00 m   0 2056 2041 2057 0 #N 115, HA 114, HN 115, 
 613 120.642   1.793   9.249 1 U         -3.920e+02  0.00e+00 m   0 2056 2043 2057 0 #N 115, HB 114, HN 115, 
 614 120.642   0.840   9.249 1 U         -3.530e+02  0.00e+00 m   0 2056 2044 2057 0 #N 115, QG1 114, HN 115, 
 615 120.642   0.767   9.249 1 U         -9.850e+02  0.00e+00 m   0 2056 2045 2057 0 #N 115, QG2 114, HN 115, 
 616 108.541   9.249   8.066 1 U         -6.122e+03  0.00e+00 m   0 2074 2057 2075 0 #N 116, HN 115, HN 116, 
 617 108.541   4.639   8.066 1 U         -1.789e+03  0.00e+00 m   0 2074 2059 2075 0 #N 116, HA 115, HN 116, 
 618 108.541   2.119   8.066 1 U         -2.190e+03  0.00e+00 m   0 2074 2061 2075 0 #N 116, HB2 115, HN 116, 
 619 108.541   2.346   8.066 1 U         -1.817e+03  0.00e+00 m   0 2074 2062 2075 0 #N 116, HB3 115, HN 116, 
 620 108.541   2.386   8.066 1 U         -1.311e+03  0.00e+00 m   0 2074 2065 2075 0 #N 116, HG2 115, HN 116, 
 621 108.541   2.466   8.066 1 U         -6.650e+02  0.00e+00 m   0 2074 2066 2075 0 #N 116, HG3 115, HN 116, 
 622 108.541   8.191   8.066 1 U         -2.300e+02  0.00e+00 m   0 2074 2070 2075 0 #N 116, HE21 115, HN 116, 
 623 108.541   7.069   8.066 1 U         -2.000e+02  0.00e+00 m   0 2074 2071 2075 0 #N 116, HE22 115, HN 116, 
 624 119.027   4.023   8.287 1 U         -7.950e+02  0.00e+00 m   0 2112 2090 2113 0 #N 118, HA 117, HN 118, 
 625 119.027   1.856   8.287 1 U         -3.755e+03  0.00e+00 m   0 2112 2092 2113 0 #N 118, HB2 117, HN 118, 
 626 119.027   1.855   8.287 1 U         -3.755e+03  0.00e+00 m   0 2112 2093 2113 0 #N 118, HB3 117, HN 118, 
 627 119.027   1.460   8.287 1 U         -1.454e+03  0.00e+00 m   0 2112 2096 2113 0 #N 118, HG2 117, HN 118, 
 628 119.027   1.481   8.287 1 U         -1.401e+03  0.00e+00 m   0 2112 2097 2113 0 #N 118, HG3 117, HN 118, 
 629 119.027   1.702   8.287 1 U         -4.780e+02  0.00e+00 m   0 2112 2100 2113 0 #N 118, HD2 117, HN 118, 
 630 119.027   1.694   8.287 1 U         -5.310e+02  0.00e+00 m   0 2112 2101 2113 0 #N 118, HD3 117, HN 118, 
 631 119.027   2.986   8.287 1 U         -5.340e+02  0.00e+00 m   0 2112 2104 2113 0 #N 118, HE2 117, HN 118, 
 632 119.027   2.994   8.287 1 U         -5.340e+02  0.00e+00 m   0 2112 2105 2113 0 #N 118, HE3 117, HN 118, 
 633 118.732   8.287   7.970 1 U         -3.766e+03  0.00e+00 m   0 2130 2113 2131 0 #N 119, HN 118, HN 119, 
 634 118.732   3.895   7.970 1 U         -1.731e+03  0.00e+00 m   0 2130 2115 2131 0 #N 119, HA 118, HN 119, 
 635 118.732   2.161   7.970 1 U         -1.829e+03  0.00e+00 m   0 2130 2117 2131 0 #N 119, HB2 118, HN 119, 
 636 118.732   1.970   7.970 1 U         -3.885e+03  0.00e+00 m   0 2130 2118 2131 0 #N 119, HB3 118, HN 119, 
 637 118.732   2.467   7.970 1 U         -1.389e+03  0.00e+00 m   0 2130 2121 2131 0 #N 119, HG2 118, HN 119, 
 638 118.732   2.467   7.970 1 U         -1.389e+03  0.00e+00 m   0 2130 2122 2131 0 #N 119, HG3 118, HN 119, 
 639 118.732   7.777   7.970 1 U         -6.820e+02  0.00e+00 m   0 2130 2126 2131 0 #N 119, HE21 118, HN 119, 
 640 118.732   6.946   7.970 1 U         -4.400e+01  0.00e+00 m   0 2130 2127 2131 0 #N 119, HE22 118, HN 119, 
 641 119.701   7.970   7.865 1 U         -4.118e+03  0.00e+00 m   0 2141 2131 2142 0 #N 120, HN 119, HN 120, 
 642 119.701   4.381   7.865 1 U         -8.990e+02  0.00e+00 m   0 2141 2133 2142 0 #N 120, HA 119, HN 120, 
 643 119.701   2.837   7.865 1 U         -1.255e+03  0.00e+00 m   0 2141 2135 2142 0 #N 120, HB2 119, HN 120, 
 644 119.701   3.134   7.865 1 U         -2.053e+03  0.00e+00 m   0 2141 2136 2142 0 #N 120, HB3 119, HN 120, 
 645 118.543   7.865   8.155 1 U         -3.273e+03  0.00e+00 m   0 2164 2142 2165 0 #N 121, HN 120, HN 121, 
 646 118.543   3.997   8.155 1 U         -2.574e+03  0.00e+00 m   0 2164 2144 2165 0 #N 121, HA 120, HN 121, 
 647 118.543   3.007   8.155 1 U         -1.419e+03  0.00e+00 m   0 2164 2146 2165 0 #N 121, HB2 120, HN 121, 
 648 118.543   3.193   8.155 1 U         -2.099e+03  0.00e+00 m   0 2164 2147 2165 0 #N 121, HB3 120, HN 121, 
 649 118.543   6.786   8.155 1 U         -2.000e+01  0.00e+00 m   0 2164 2155 2165 0 #N 121, HZ 120, HN 121, 
 650 118.543   7.055   8.155 1 U         -2.740e+02  0.00e+00 m   0 2164 2161 2165 0 #N 121, QD 120, HN 121, 
 651 118.543   6.880   8.155 1 U          6.600e+01  0.00e+00 m   0 2164 2162 2165 0 #N 121, QE 120, HN 121, 
 652 118.349   8.155   8.661 1 U         -1.520e+03  0.00e+00 m   0 2189 2165 2190 0 #N 122, HN 121, HN 122, 
 653 118.349   3.730   8.661 1 U         -1.680e+02  0.00e+00 m   0 2189 2167 2190 0 #N 122, HA 121, HN 122, 
 654 118.349   1.838   8.661 1 U         -7.470e+02  0.00e+00 m   0 2189 2169 2190 0 #N 122, HB2 121, HN 122, 
 655 118.349   1.949   8.661 1 U         -1.648e+03  0.00e+00 m   0 2189 2170 2190 0 #N 122, HB3 121, HN 122, 
 656 118.349   1.422   8.661 1 U         -3.970e+02  0.00e+00 m   0 2189 2173 2190 0 #N 122, HG2 121, HN 122, 
 657 118.349   1.541   8.661 1 U         -2.470e+02  0.00e+00 m   0 2189 2174 2190 0 #N 122, HG3 121, HN 122, 
 658 118.349   1.638   8.661 1 U         -1.490e+02  0.00e+00 m   0 2189 2177 2190 0 #N 122, HD2 121, HN 122, 
 659 118.349   2.046   8.661 1 U          8.100e+01  0.00e+00 m   0 2189 2178 2190 0 #N 122, HD3 121, HN 122, 
 660 118.349   2.930   8.661 1 U         -7.400e+01  0.00e+00 m   0 2189 2181 2190 0 #N 122, HE2 121, HN 122, 
 661 118.349   2.930   8.661 1 U         -7.400e+01  0.00e+00 m   0 2189 2182 2190 0 #N 122, HE3 121, HN 122, 
 662 120.429   8.661   7.804 1 U         -2.671e+03  0.00e+00 m   0 2200 2190 2201 0 #N 123, HN 122, HN 123, 
 663 120.429   4.315   7.804 1 U         -1.327e+03  0.00e+00 m   0 2200 2192 2201 0 #N 123, HA 122, HN 123, 
 664 120.429   2.778   7.804 1 U         -2.843e+03  0.00e+00 m   0 2200 2194 2201 0 #N 123, HB2 122, HN 123, 
 665 120.429   2.603   7.804 1 U         -2.320e+03  0.00e+00 m   0 2200 2195 2201 0 #N 123, HB3 122, HN 123, 
 666 117.929   7.804   7.964 1 U         -2.022e+03  0.00e+00 m   0 2222 2201 2223 0 #N 124, HN 123, HN 124, 
 667 117.929   3.966   7.964 1 U         -2.136e+03  0.00e+00 m   0 2222 2203 2223 0 #N 124, HA 123, HN 124, 
 668 117.929   1.609   7.964 1 U         -2.414e+03  0.00e+00 m   0 2222 2205 2223 0 #N 124, HB2 123, HN 124, 
 669 117.929   1.481   7.964 1 U         -2.212e+03  0.00e+00 m   0 2222 2206 2223 0 #N 124, HB3 123, HN 124, 
 670 117.929   1.305   7.964 1 U         -2.457e+03  0.00e+00 m   0 2222 2209 2223 0 #N 124, HG 123, HN 124, 
 671 117.929   0.352   7.964 1 U         -3.060e+02  0.00e+00 m   0 2222 2210 2223 0 #N 124, QD1 123, HN 124, 
 672 117.929   0.408   7.964 1 U         -2.720e+02  0.00e+00 m   0 2222 2211 2223 0 #N 124, QD2 123, HN 124, 
 673 119.201   7.964   7.799 1 U         -3.494e+03  0.00e+00 m   0 2243 2223 2244 0 #N 125, HN 124, HN 125, 
 674 119.201   3.515   7.799 1 U         -7.290e+02  0.00e+00 m   0 2243 2225 2244 0 #N 125, HA 124, HN 125, 
 675 119.201   1.918   7.799 1 U         -1.144e+04  0.00e+00 m   0 2243 2227 2244 0 #N 125, HB 124, HN 125, 
 676 119.201   0.817   7.799 1 U         -1.359e+03  0.00e+00 m   0 2243 2228 2244 0 #N 125, QG2 124, HN 125, 
 677 119.201   1.211   7.799 1 U         -8.100e+01  0.00e+00 m   0 2243 2234 2244 0 #N 125, HG12 124, HN 125, 
 678 119.201   1.240   7.799 1 U         -7.800e+01  0.00e+00 m   0 2243 2235 2244 0 #N 125, HG13 124, HN 125, 
 679 119.201   0.528   7.799 1 U          1.900e+02  0.00e+00 m   0 2243 2237 2244 0 #N 125, QD1 124, HN 125, 
 680 118.712   7.799   8.287 1 U          1.820e+02  0.00e+00 m   0 2258 2244 2259 0 #N 126, HN 125, HN 126, 
 681 118.712   4.164   8.287 1 U          9.500e+01  0.00e+00 m   0 2258 2246 2259 0 #N 126, HA 125, HN 126, 
 682 118.712   1.886   8.287 1 U         -6.390e+02  0.00e+00 m   0 2258 2248 2259 0 #N 126, HB2 125, HN 126, 
 683 118.712   1.878   8.287 1 U         -6.390e+02  0.00e+00 m   0 2258 2249 2259 0 #N 126, HB3 125, HN 126, 
 684 118.712   2.153   8.287 1 U         -4.250e+02  0.00e+00 m   0 2258 2252 2259 0 #N 126, HG2 125, HN 126, 
 685 118.712   2.153   8.287 1 U         -4.250e+02  0.00e+00 m   0 2258 2253 2259 0 #N 126, HG3 125, HN 126, 
 686 123.919   8.287   7.835 1 U         -2.150e+02  0.00e+00 m   0 2283 2259 2284 0 #N 127, HN 126, HN 127, 
 687 123.919   4.133   7.835 1 U          1.450e+02  0.00e+00 m   0 2283 2261 2284 0 #N 127, HA 126, HN 127, 
 688 123.919   1.790   7.835 1 U         -9.800e+01  0.00e+00 m   0 2283 2263 2284 0 #N 127, HB2 126, HN 127, 
 689 123.919   1.780   7.835 1 U         -4.400e+01  0.00e+00 m   0 2283 2264 2284 0 #N 127, HB3 126, HN 127, 
 690 123.919   1.380   7.835 1 U          1.630e+02  0.00e+00 m   0 2283 2267 2284 0 #N 127, HG2 126, HN 127, 
 691 123.919   1.370   7.835 1 U          1.120e+02  0.00e+00 m   0 2283 2268 2284 0 #N 127, HG3 126, HN 127, 
 692 123.919   1.610   7.835 1 U          6.000e+00  0.00e+00 m   0 2283 2271 2284 0 #N 127, HD2 126, HN 127, 
 693 123.919   1.610   7.835 1 U          6.000e+00  0.00e+00 m   0 2283 2272 2284 0 #N 127, HD3 126, HN 127, 
 694 123.919   2.930   7.835 1 U          1.870e+02  0.00e+00 m   0 2283 2275 2284 0 #N 127, HE2 126, HN 127, 
 695 123.919   2.930   7.835 1 U          1.870e+02  0.00e+00 m   0 2283 2276 2284 0 #N 127, HE3 126, HN 127, 
 696 120.408   7.835   7.979 1 U         -1.200e+03  0.00e+00 m   0 2304 2284 2305 0 #N 128, HN 127, HN 128, 
 697 120.408   4.289   7.979 1 U         -1.082e+03  0.00e+00 m   0 2304 2286 2305 0 #N 128, HA 127, HN 128, 
 698 120.408   1.800   7.979 1 U         -1.590e+03  0.00e+00 m   0 2304 2288 2305 0 #N 128, HB 127, HN 128, 
 699 120.408   0.800   7.979 1 U         -4.300e+02  0.00e+00 m   0 2304 2289 2305 0 #N 128, QG2 127, HN 128, 
 700 120.408   1.300   7.979 1 U          1.900e+01  0.00e+00 m   0 2304 2295 2305 0 #N 128, HG12 127, HN 128, 
 701 120.408   1.240   7.979 1 U         -1.000e+00  0.00e+00 m   0 2304 2296 2305 0 #N 128, HG13 127, HN 128, 
 702 120.408   0.700   7.979 1 U         -4.820e+02  0.00e+00 m   0 2304 2298 2305 0 #N 128, QD1 127, HN 128, 
 703 116.533   3.250   7.705 1 U         -4.410e+02  0.00e+00 m   0 2392 2378 2393 0 #N 133, HA 132, HN 133, 
 704 116.533   3.120   7.705 1 U          3.410e+02  0.00e+00 m   0 2392 2380 2393 0 #N 133, HB2 132, HN 133, 
 705 116.533   3.110   7.705 1 U          3.410e+02  0.00e+00 m   0 2392 2381 2393 0 #N 133, HB3 132, HN 133, 
 706 116.533   7.080   7.705 1 U          3.350e+02  0.00e+00 m   0 2392 2389 2393 0 #N 133, HD2 132, HN 133, 
 707 119.802   7.705   8.204 1 U         -7.600e+01  0.00e+00 m   0 2409 2393 2410 0 #N 134, HN 133, HN 134, 
 708 119.802   4.209   8.204 1 U         -3.260e+02  0.00e+00 m   0 2409 2395 2410 0 #N 134, HA 133, HN 134, 
 709 119.802   3.120   8.204 1 U         -6.100e+01  0.00e+00 m   0 2409 2397 2410 0 #N 134, HB2 133, HN 134, 
 710 119.802   3.110   8.204 1 U         -6.100e+01  0.00e+00 m   0 2409 2398 2410 0 #N 134, HB3 133, HN 134, 
 711 119.802   7.080   8.204 1 U         -8.600e+01  0.00e+00 m   0 2409 2406 2410 0 #N 134, HD2 133, HN 134, 
 712 125.736   8.204   7.954 1 U         -2.500e+01  0.00e+00 m   0 2426 2410 2427 0 #N 135, HN 134, HN 135, 
 713 125.736   4.740   7.954 1 U         -2.984e+03  0.00e+00 m   0 2426 2412 2427 0 #N 135, HA 134, HN 135, 
 714 125.736   3.120   7.954 1 U         -1.604e+03  0.00e+00 m   0 2426 2414 2427 0 #N 135, HB2 134, HN 135, 
 715 125.736   3.110   7.954 1 U         -1.604e+03  0.00e+00 m   0 2426 2415 2427 0 #N 135, HB3 134, HN 135, 
 716 125.736   7.080   7.954 1 U         -1.160e+02  0.00e+00 m   0 2426 2423 2427 0 #N 135, HD2 134, HN 135, 
 717 112.575   8.687   7.522 1 U          5.600e+01  0.00e+00 m   0  630  622  631 0 #ND2 35, HN 35, HD21 35, 
 718 112.575   4.901   7.522 1 U         -1.780e+02  0.00e+00 m   0  630  624  631 0 #ND2 35, HA 35, HD21 35, 
 719 112.575   3.240   7.522 1 U         -6.800e+02  0.00e+00 m   0  630  626  631 0 #ND2 35, HB2 35, HD21 35, 
 720 112.575   2.904   7.522 1 U         -1.114e+03  0.00e+00 m   0  630  627  631 0 #ND2 35, HB3 35, HD21 35, 
 721 112.575   7.522   7.522 1 U         -9.884e+03  0.00e+00 m   0  630  631  631 0 #ND2 35, HD21 35, HD21 35, 
 722 112.575   8.038   7.522 1 U         -9.555e+03  0.00e+00 m   0  630  632  631 0 #ND2 35, HD22 35, HD21 35, 
 723 112.575   8.687   8.038 1 U         -4.300e+01  0.00e+00 m   0  630  622  632 0 #ND2 35, HN 35, HD22 35, 
 724 112.575   4.901   8.038 1 U         -4.160e+02  0.00e+00 m   0  630  624  632 0 #ND2 35, HA 35, HD22 35, 
 725 112.575   3.240   8.038 1 U         -1.255e+03  0.00e+00 m   0  630  626  632 0 #ND2 35, HB2 35, HD22 35, 
 726 112.575   2.904   8.038 1 U         -1.504e+03  0.00e+00 m   0  630  627  632 0 #ND2 35, HB3 35, HD22 35, 
 727 112.575   7.522   8.038 1 U         -1.068e+04  0.00e+00 m   0  630  631  632 0 #ND2 35, HD21 35, HD22 35, 
 728 112.575   8.038   8.038 1 U         -1.155e+04  0.00e+00 m   0  630  632  632 0 #ND2 35, HD22 35, HD22 35, 
 729 112.920   9.304   7.245 1 U          6.500e+01  0.00e+00 m   0 1326 1318 1327 0 #ND2 75, HN 75, HD21 75, 
 730 112.920   4.819   7.245 1 U         -9.010e+02  0.00e+00 m   0 1326 1320 1327 0 #ND2 75, HA 75, HD21 75, 
 731 112.920   2.637   7.245 1 U         -8.860e+02  0.00e+00 m   0 1326 1322 1327 0 #ND2 75, HB2 75, HD21 75, 
 732 112.920   3.136   7.245 1 U         -6.810e+02  0.00e+00 m   0 1326 1323 1327 0 #ND2 75, HB3 75, HD21 75, 
 733 112.920   7.245   7.245 1 U         -1.404e+04  0.00e+00 m   0 1326 1327 1327 0 #ND2 75, HD21 75, HD21 75, 
 734 112.920   7.815   7.245 1 U         -9.373e+03  0.00e+00 m   0 1326 1328 1327 0 #ND2 75, HD22 75, HD21 75, 
 735 112.920   9.304   7.815 1 U         -2.800e+01  0.00e+00 m   0 1326 1318 1328 0 #ND2 75, HN 75, HD22 75, 
 736 112.920   4.819   7.815 1 U         -1.028e+04  0.00e+00 m   0 1326 1320 1328 0 #ND2 75, HA 75, HD22 75, 
 737 112.920   2.637   7.815 1 U         -9.200e+02  0.00e+00 m   0 1326 1322 1328 0 #ND2 75, HB2 75, HD22 75, 
 738 112.920   3.136   7.815 1 U         -4.130e+02  0.00e+00 m   0 1326 1323 1328 0 #ND2 75, HB3 75, HD22 75, 
 739 112.920   7.245   7.815 1 U         -7.146e+03  0.00e+00 m   0 1326 1327 1328 0 #ND2 75, HD21 75, HD22 75, 
 740 112.920   7.815   7.815 1 U         -7.744e+04  0.00e+00 m   0 1326 1328 1328 0 #ND2 75, HD22 75, HD22 75, 
 741 113.372   8.756   6.906 1 U         -1.770e+02  0.00e+00 m   0 1598 1590 1599 0 #ND2 88, HN 88, HD21 88, 
 742 113.372   4.711   6.906 1 U         -6.190e+02  0.00e+00 m   0 1598 1592 1599 0 #ND2 88, HA 88, HD21 88, 
 743 113.372   2.844   6.906 1 U         -2.116e+03  0.00e+00 m   0 1598 1594 1599 0 #ND2 88, HB2 88, HD21 88, 
 744 113.372   2.794   6.906 1 U         -2.442e+03  0.00e+00 m   0 1598 1595 1599 0 #ND2 88, HB3 88, HD21 88, 
 745 113.372   6.906   6.906 1 U         -1.753e+05  0.00e+00 m   0 1598 1599 1599 0 #ND2 88, HD21 88, HD21 88, 
 746 113.372   7.685   6.906 1 U         -2.288e+04  0.00e+00 m   0 1598 1600 1599 0 #ND2 88, HD22 88, HD21 88, 
 747 113.372   8.756   7.685 1 U         -1.740e+02  0.00e+00 m   0 1598 1590 1600 0 #ND2 88, HN 88, HD22 88, 
 748 113.372   4.711   7.685 1 U         -7.490e+02  0.00e+00 m   0 1598 1592 1600 0 #ND2 88, HA 88, HD22 88, 
 749 113.372   2.844   7.685 1 U         -3.088e+03  0.00e+00 m   0 1598 1594 1600 0 #ND2 88, HB2 88, HD22 88, 
 750 113.372   2.794   7.685 1 U         -3.584e+03  0.00e+00 m   0 1598 1595 1600 0 #ND2 88, HB3 88, HD22 88, 
 751 113.372   6.906   7.685 1 U         -2.394e+04  0.00e+00 m   0 1598 1599 1600 0 #ND2 88, HD21 88, HD22 88, 
 752 113.372   7.685   7.685 1 U         -2.339e+04  0.00e+00 m   0 1598 1600 1600 0 #ND2 88, HD22 88, HD22 88, 
 753 111.225   8.139   7.933 1 U         -1.730e+02  0.00e+00 m   0 1707 1699 1708 0 #ND2 94, HN 94, HD21 94, 
 754 111.225   5.249   7.933 1 U         -6.520e+02  0.00e+00 m   0 1707 1701 1708 0 #ND2 94, HA 94, HD21 94, 
 755 111.225   3.085   7.933 1 U         -1.295e+03  0.00e+00 m   0 1707 1703 1708 0 #ND2 94, HB2 94, HD21 94, 
 756 111.225   3.412   7.933 1 U         -1.883e+03  0.00e+00 m   0 1707 1704 1708 0 #ND2 94, HB3 94, HD21 94, 
 757 111.225   7.933   7.933 1 U         -1.269e+04  0.00e+00 m   0 1707 1708 1708 0 #ND2 94, HD21 94, HD21 94, 
 758 111.225   7.213   7.933 1 U         -1.334e+04  0.00e+00 m   0 1707 1709 1708 0 #ND2 94, HD22 94, HD21 94, 
 759 111.225   8.139   7.213 1 U         -1.690e+02  0.00e+00 m   0 1707 1699 1709 0 #ND2 94, HN 94, HD22 94, 
 760 111.225   5.249   7.213 1 U         -6.080e+02  0.00e+00 m   0 1707 1701 1709 0 #ND2 94, HA 94, HD22 94, 
 761 111.225   3.085   7.213 1 U         -1.638e+03  0.00e+00 m   0 1707 1703 1709 0 #ND2 94, HB2 94, HD22 94, 
 762 111.225   3.412   7.213 1 U         -1.401e+03  0.00e+00 m   0 1707 1704 1709 0 #ND2 94, HB3 94, HD22 94, 
 763 111.225   7.933   7.213 1 U         -1.432e+04  0.00e+00 m   0 1707 1708 1709 0 #ND2 94, HD21 94, HD22 94, 
 764 111.225   7.213   7.213 1 U         -1.911e+04  0.00e+00 m   0 1707 1709 1709 0 #ND2 94, HD22 94, HD22 94, 
 765 107.350   8.938   7.255 1 U         -6.980e+02  0.00e+00 m   0 2033 2025 2034 0 #ND2 113, HN 113, HD21 113, 
 766 107.350   5.357   7.255 1 U         -9.810e+02  0.00e+00 m   0 2033 2027 2034 0 #ND2 113, HA 113, HD21 113, 
 767 107.350   2.567   7.255 1 U         -1.556e+03  0.00e+00 m   0 2033 2029 2034 0 #ND2 113, HB2 113, HD21 113, 
 768 107.350   2.940   7.255 1 U         -2.272e+03  0.00e+00 m   0 2033 2030 2034 0 #ND2 113, HB3 113, HD21 113, 
 769 107.350   7.255   7.255 1 U         -4.460e+04  0.00e+00 m   0 2033 2034 2034 0 #ND2 113, HD21 113, HD21 113, 
 770 107.350   6.575   7.255 1 U         -2.767e+04  0.00e+00 m   0 2033 2035 2034 0 #ND2 113, HD22 113, HD21 113, 
 771 107.350   8.938   6.575 1 U         -2.590e+02  0.00e+00 m   0 2033 2025 2035 0 #ND2 113, HN 113, HD22 113, 
 772 107.350   5.357   6.575 1 U         -3.020e+02  0.00e+00 m   0 2033 2027 2035 0 #ND2 113, HA 113, HD22 113, 
 773 107.350   2.567   6.575 1 U         -5.700e+02  0.00e+00 m   0 2033 2029 2035 0 #ND2 113, HB2 113, HD22 113, 
 774 107.350   2.940   6.575 1 U         -6.800e+02  0.00e+00 m   0 2033 2030 2035 0 #ND2 113, HB3 113, HD22 113, 
 775 107.350   7.255   6.575 1 U         -2.114e+04  0.00e+00 m   0 2033 2034 2035 0 #ND2 113, HD21 113, HD22 113, 
 776 107.350   6.575   6.575 1 U         -1.911e+04  0.00e+00 m   0 2033 2035 2035 0 #ND2 113, HD22 113, HD22 113, 
 777 113.512   8.096   7.857 1 U          2.440e+02  0.00e+00 m   0  673  661  674 0 #NE2 37, HN 37, HE21 37, 
 778 113.512   4.142   7.857 1 U         -2.210e+02  0.00e+00 m   0  673  663  674 0 #NE2 37, HA 37, HE21 37, 
 779 113.512   2.164   7.857 1 U         -4.490e+02  0.00e+00 m   0  673  665  674 0 #NE2 37, HB2 37, HE21 37, 
 780 113.512   2.288   7.857 1 U         -3.220e+02  0.00e+00 m   0  673  666  674 0 #NE2 37, HB3 37, HE21 37, 
 781 113.512   2.492   7.857 1 U         -3.213e+03  0.00e+00 m   0  673  669  674 0 #NE2 37, HG2 37, HE21 37, 
 782 113.512   2.460   7.857 1 U         -2.246e+03  0.00e+00 m   0  673  670  674 0 #NE2 37, HG3 37, HE21 37, 
 783 113.512   7.857   7.857 1 U         -8.330e+04  0.00e+00 m   0  673  674  674 0 #NE2 37, HE21 37, HE21 37, 
 784 113.512   6.918   7.857 1 U         -5.225e+04  0.00e+00 m   0  673  675  674 0 #NE2 37, HE22 37, HE21 37, 
 785 113.512   8.096   6.918 1 U         -1.300e+01  0.00e+00 m   0  673  661  675 0 #NE2 37, HN 37, HE22 37, 
 786 113.512   4.142   6.918 1 U         -3.570e+02  0.00e+00 m   0  673  663  675 0 #NE2 37, HA 37, HE22 37, 
 787 113.512   2.164   6.918 1 U         -1.950e+02  0.00e+00 m   0  673  665  675 0 #NE2 37, HB2 37, HE22 37, 
 788 113.512   2.288   6.918 1 U         -3.360e+02  0.00e+00 m   0  673  666  675 0 #NE2 37, HB3 37, HE22 37, 
 789 113.512   2.492   6.918 1 U         -1.532e+03  0.00e+00 m   0  673  669  675 0 #NE2 37, HG2 37, HE22 37, 
 790 113.512   2.460   6.918 1 U         -1.437e+03  0.00e+00 m   0  673  670  675 0 #NE2 37, HG3 37, HE22 37, 
 791 113.512   7.857   6.918 1 U         -5.193e+04  0.00e+00 m   0  673  674  675 0 #NE2 37, HE21 37, HE22 37, 
 792 113.512   6.918   6.918 1 U         -2.165e+05  0.00e+00 m   0  673  675  675 0 #NE2 37, HE22 37, HE22 37, 
 793 112.678   8.189   6.913 1 U         -5.940e+02  0.00e+00 m   0 1751 1739 1752 0 #NE2 97, HN 97, HE21 97, 
 794 112.678   4.026   6.913 1 U         -6.380e+02  0.00e+00 m   0 1751 1741 1752 0 #NE2 97, HA 97, HE21 97, 
 795 112.678   2.197   6.913 1 U         -7.450e+02  0.00e+00 m   0 1751 1743 1752 0 #NE2 97, HB2 97, HE21 97, 
 796 112.678   2.145   6.913 1 U         -5.410e+02  0.00e+00 m   0 1751 1744 1752 0 #NE2 97, HB3 97, HE21 97, 
 797 112.678   2.469   6.913 1 U         -2.292e+03  0.00e+00 m   0 1751 1747 1752 0 #NE2 97, HG2 97, HE21 97, 
 798 112.678   2.412   6.913 1 U         -2.518e+03  0.00e+00 m   0 1751 1748 1752 0 #NE2 97, HG3 97, HE21 97, 
 799 112.678   6.913   6.913 1 U         -2.676e+05  0.00e+00 m   0 1751 1752 1752 0 #NE2 97, HE21 97, HE21 97, 
 800 112.678   7.819   6.913 1 U         -6.290e+04  0.00e+00 m   0 1751 1753 1752 0 #NE2 97, HE22 97, HE21 97, 
 801 112.678   8.189   7.819 1 U         -2.160e+02  0.00e+00 m   0 1751 1739 1753 0 #NE2 97, HN 97, HE22 97, 
 802 112.678   4.026   7.819 1 U         -6.880e+02  0.00e+00 m   0 1751 1741 1753 0 #NE2 97, HA 97, HE22 97, 
 803 112.678   2.197   7.819 1 U         -9.230e+02  0.00e+00 m   0 1751 1743 1753 0 #NE2 97, HB2 97, HE22 97, 
 804 112.678   2.145   7.819 1 U         -1.015e+03  0.00e+00 m   0 1751 1744 1753 0 #NE2 97, HB3 97, HE22 97, 
 805 112.678   2.469   7.819 1 U         -3.004e+03  0.00e+00 m   0 1751 1747 1753 0 #NE2 97, HG2 97, HE22 97, 
 806 112.678   2.412   7.819 1 U         -3.036e+03  0.00e+00 m   0 1751 1748 1753 0 #NE2 97, HG3 97, HE22 97, 
 807 112.678   6.913   7.819 1 U         -5.699e+04  0.00e+00 m   0 1751 1752 1753 0 #NE2 97, HE21 97, HE22 97, 
 808 112.678   7.819   7.819 1 U         -1.129e+05  0.00e+00 m   0 1751 1753 1753 0 #NE2 97, HE22 97, HE22 97, 
 809 111.225   8.167   7.145 1 U         -2.690e+02  0.00e+00 m   0 1871 1859 1872 0 #NE2 103, HN 103, HE21 103, 
 810 111.225   3.990   7.145 1 U         -5.930e+02  0.00e+00 m   0 1871 1861 1872 0 #NE2 103, HA 103, HE21 103, 
 811 111.225   2.153   7.145 1 U         -4.420e+02  0.00e+00 m   0 1871 1863 1872 0 #NE2 103, HB2 103, HE21 103, 
 812 111.225   1.966   7.145 1 U         -5.520e+02  0.00e+00 m   0 1871 1864 1872 0 #NE2 103, HB3 103, HE21 103, 
 813 111.225   2.328   7.145 1 U         -3.197e+03  0.00e+00 m   0 1871 1867 1872 0 #NE2 103, HG2 103, HE21 103, 
 814 111.225   2.606   7.145 1 U         -2.218e+03  0.00e+00 m   0 1871 1868 1872 0 #NE2 103, HG3 103, HE21 103, 
 815 111.225   7.145   7.145 1 U         -4.088e+04  0.00e+00 m   0 1871 1872 1872 0 #NE2 103, HE21 103, HE21 103, 
 816 111.225   6.701   7.145 1 U         -3.263e+04  0.00e+00 m   0 1871 1873 1872 0 #NE2 103, HE22 103, HE21 103, 
 817 111.225   8.167   6.701 1 U         -2.410e+02  0.00e+00 m   0 1871 1859 1873 0 #NE2 103, HN 103, HE22 103, 
 818 111.225   3.990   6.701 1 U         -8.000e+02  0.00e+00 m   0 1871 1861 1873 0 #NE2 103, HA 103, HE22 103, 
 819 111.225   2.153   6.701 1 U         -6.500e+02  0.00e+00 m   0 1871 1863 1873 0 #NE2 103, HB2 103, HE22 103, 
 820 111.225   1.966   6.701 1 U         -3.970e+02  0.00e+00 m   0 1871 1864 1873 0 #NE2 103, HB3 103, HE22 103, 
 821 111.225   2.328   6.701 1 U         -1.985e+03  0.00e+00 m   0 1871 1867 1873 0 #NE2 103, HG2 103, HE22 103, 
 822 111.225   2.606   6.701 1 U         -1.600e+03  0.00e+00 m   0 1871 1868 1873 0 #NE2 103, HG3 103, HE22 103, 
 823 111.225   7.145   6.701 1 U         -3.663e+04  0.00e+00 m   0 1871 1872 1873 0 #NE2 103, HE21 103, HE22 103, 
 824 111.225   6.701   6.701 1 U         -4.615e+04  0.00e+00 m   0 1871 1873 1873 0 #NE2 103, HE22 103, HE22 103, 
 825 114.615   9.249   8.191 1 U          3.700e+01  0.00e+00 m   0 2069 2057 2070 0 #NE2 115, HN 115, HE21 115, 
 826 114.615   4.639   8.191 1 U         -4.280e+02  0.00e+00 m   0 2069 2059 2070 0 #NE2 115, HA 115, HE21 115, 
 827 114.615   2.119   8.191 1 U         -3.450e+02  0.00e+00 m   0 2069 2061 2070 0 #NE2 115, HB2 115, HE21 115, 
 828 114.615   2.346   8.191 1 U         -7.860e+02  0.00e+00 m   0 2069 2062 2070 0 #NE2 115, HB3 115, HE21 115, 
 829 114.615   2.386   8.191 1 U         -2.388e+03  0.00e+00 m   0 2069 2065 2070 0 #NE2 115, HG2 115, HE21 115, 
 830 114.615   2.466   8.191 1 U         -1.133e+03  0.00e+00 m   0 2069 2066 2070 0 #NE2 115, HG3 115, HE21 115, 
 831 114.615   8.191   8.191 1 U         -2.840e+04  0.00e+00 m   0 2069 2070 2070 0 #NE2 115, HE21 115, HE21 115, 
 832 114.615   7.069   8.191 1 U         -2.568e+04  0.00e+00 m   0 2069 2071 2070 0 #NE2 115, HE22 115, HE21 115, 
 833 114.615   9.249   7.069 1 U         -1.450e+02  0.00e+00 m   0 2069 2057 2071 0 #NE2 115, HN 115, HE22 115, 
 834 114.615   4.639   7.069 1 U         -4.680e+02  0.00e+00 m   0 2069 2059 2071 0 #NE2 115, HA 115, HE22 115, 
 835 114.615   2.119   7.069 1 U         -5.290e+02  0.00e+00 m   0 2069 2061 2071 0 #NE2 115, HB2 115, HE22 115, 
 836 114.615   2.346   7.069 1 U         -9.880e+02  0.00e+00 m   0 2069 2062 2071 0 #NE2 115, HB3 115, HE22 115, 
 837 114.615   2.386   7.069 1 U         -2.224e+03  0.00e+00 m   0 2069 2065 2071 0 #NE2 115, HG2 115, HE22 115, 
 838 114.615   2.466   7.069 1 U         -1.093e+03  0.00e+00 m   0 2069 2066 2071 0 #NE2 115, HG3 115, HE22 115, 
 839 114.615   8.191   7.069 1 U         -3.695e+04  0.00e+00 m   0 2069 2070 2071 0 #NE2 115, HE21 115, HE22 115, 
 840 114.615   7.069   7.069 1 U         -9.937e+04  0.00e+00 m   0 2069 2071 2071 0 #NE2 115, HE22 115, HE22 115, 
 841 113.404   8.287   7.777 1 U          3.500e+01  0.00e+00 m   0 2125 2113 2126 0 #NE2 118, HN 118, HE21 118, 
 842 113.404   3.895   7.777 1 U          1.900e+02  0.00e+00 m   0 2125 2115 2126 0 #NE2 118, HA 118, HE21 118, 
 843 113.404   2.161   7.777 1 U         -3.250e+02  0.00e+00 m   0 2125 2117 2126 0 #NE2 118, HB2 118, HE21 118, 
 844 113.404   1.970   7.777 1 U          6.000e+00  0.00e+00 m   0 2125 2118 2126 0 #NE2 118, HB3 118, HE21 118, 
 845 113.404   2.467   7.777 1 U         -2.013e+03  0.00e+00 m   0 2125 2121 2126 0 #NE2 118, HG2 118, HE21 118, 
 846 113.404   2.467   7.777 1 U         -2.013e+03  0.00e+00 m   0 2125 2122 2126 0 #NE2 118, HG3 118, HE21 118, 
 847 113.404   7.777   7.777 1 U         -8.176e+04  0.00e+00 m   0 2125 2126 2126 0 #NE2 118, HE21 118, HE21 118, 
 848 113.404   6.946   7.777 1 U         -3.877e+04  0.00e+00 m   0 2125 2127 2126 0 #NE2 118, HE22 118, HE21 118, 
 849 113.404   8.287   6.946 1 U          1.000e+02  0.00e+00 m   0 2125 2113 2127 0 #NE2 118, HN 118, HE22 118, 
 850 113.404   3.895   6.946 1 U          6.000e+00  0.00e+00 m   0 2125 2115 2127 0 #NE2 118, HA 118, HE22 118, 
 851 113.404   2.161   6.946 1 U         -7.900e+01  0.00e+00 m   0 2125 2117 2127 0 #NE2 118, HB2 118, HE22 118, 
 852 113.404   1.970   6.946 1 U         -1.130e+02  0.00e+00 m   0 2125 2118 2127 0 #NE2 118, HB3 118, HE22 118, 
 853 113.404   2.467   6.946 1 U         -7.800e+02  0.00e+00 m   0 2125 2121 2127 0 #NE2 118, HG2 118, HE22 118, 
 854 113.404   2.467   6.946 1 U         -7.800e+02  0.00e+00 m   0 2125 2122 2127 0 #NE2 118, HG3 118, HE22 118, 
 855 113.404   7.777   6.946 1 U         -4.101e+04  0.00e+00 m   0 2125 2126 2127 0 #NE2 118, HE21 118, HE22 118, 
 856 113.404   6.946   6.946 1 U         -1.396e+05  0.00e+00 m   0 2125 2127 2127 0 #NE2 118, HE22 118, HE22 118, 
 857 128.662   4.290  10.223 1 U         -1.040e+02  0.00e+00 m   0  325  315  330 0 #NE1 18, HA 18, HE1 18, 
 858 128.662   3.303  10.223 1 U         -5.160e+02  0.00e+00 m   0  325  317  330 0 #NE1 18, HB2 18, HE1 18, 
 859 128.662   3.434  10.223 1 U         -1.390e+02  0.00e+00 m   0  325  318  330 0 #NE1 18, HB3 18, HE1 18, 
 860 128.662   7.309  10.223 1 U         -1.295e+04  0.00e+00 m   0  325  326  330 0 #NE1 18, HD1 18, HE1 18, 
 861 128.662   7.379  10.223 1 U         -1.705e+03  0.00e+00 m   0  325  327  330 0 #NE1 18, HE3 18, HE1 18, 
 862 128.662  10.223  10.223 1 U         -5.264e+04  0.00e+00 m   0  325  330  330 0 #NE1 18, HE1 18, HE1 18, 
 863 128.662   6.637  10.223 1 U         -7.500e+01  0.00e+00 m   0  325  331  330 0 #NE1 18, HZ3 18, HE1 18, 
 864 128.662   7.322  10.223 1 U         -1.295e+04  0.00e+00 m   0  325  333  330 0 #NE1 18, HZ2 18, HE1 18, 
 865 128.662   6.980  10.223 1 U         -5.580e+02  0.00e+00 m   0  325  334  330 0 #NE1 18, HH2 18, HE1 18, 
 866 126.185   8.749   8.749 1 U         -7.351e+03  0.00e+00 m   0   66   67   67 0 #N 4, HN 4, HN 4, 
 867 126.185   4.671   8.749 1 U         -1.049e+03  0.00e+00 m   0   66   69   67 0 #N 4, HA 4, HN 4, 
 868 126.185   1.790   8.749 1 U         -1.522e+03  0.00e+00 m   0   66   71   67 0 #N 4, HB 4, HN 4, 
 869 126.185   0.788   8.749 1 U         -1.170e+03  0.00e+00 m   0   66   72   67 0 #N 4, QG2 4, HN 4, 
 870 126.185   1.607   8.749 1 U         -6.290e+02  0.00e+00 m   0   66   78   67 0 #N 4, HG12 4, HN 4, 
 871 126.185   0.995   8.749 1 U         -7.090e+02  0.00e+00 m   0   66   79   67 0 #N 4, HG13 4, HN 4, 
 872 126.185   0.790   8.749 1 U         -1.170e+03  0.00e+00 m   0   66   81   67 0 #N 4, QD1 4, HN 4, 
 873 126.007   8.612   8.612 1 U         -1.966e+04  0.00e+00 m   0   87   88   88 0 #N 5, HN 5, HN 5, 
 874 126.007   4.851   8.612 1 U         -1.572e+03  0.00e+00 m   0   87   90   88 0 #N 5, HA 5, HN 5, 
 875 126.007   2.142   8.612 1 U         -3.857e+03  0.00e+00 m   0   87   92   88 0 #N 5, HB 5, HN 5, 
 876 126.007   0.867   8.612 1 U         -7.010e+03  0.00e+00 m   0   87   93   88 0 #N 5, QG1 5, HN 5, 
 877 126.007   0.827   8.612 1 U         -7.567e+03  0.00e+00 m   0   87   94   88 0 #N 5, QG2 5, HN 5, 
 878 128.384   9.451   9.451 1 U         -1.882e+04  0.00e+00 m   0  105  106  106 0 #N 6, HN 6, HN 6, 
 879 128.384   4.756   9.451 1 U         -1.758e+03  0.00e+00 m   0  105  108  106 0 #N 6, HA 6, HN 6, 
 880 128.384   2.117   9.451 1 U         -3.293e+03  0.00e+00 m   0  105  110  106 0 #N 6, HB 6, HN 6, 
 881 128.384   0.796   9.451 1 U         -4.522e+03  0.00e+00 m   0  105  111  106 0 #N 6, QG2 6, HN 6, 
 882 128.384   1.509   9.451 1 U         -1.309e+03  0.00e+00 m   0  105  117  106 0 #N 6, HG12 6, HN 6, 
 883 128.384   1.504   9.451 1 U         -1.445e+03  0.00e+00 m   0  105  118  106 0 #N 6, HG13 6, HN 6, 
 884 128.384   0.689   9.451 1 U         -1.297e+03  0.00e+00 m   0  105  120  106 0 #N 6, QD1 6, HN 6, 
 885 128.657   8.917   8.917 1 U         -7.260e+03  0.00e+00 m   0  126  127  127 0 #N 7, HN 7, HN 7, 
 886 128.657   5.439   8.917 1 U         -6.780e+02  0.00e+00 m   0  126  129  127 0 #N 7, HA 7, HN 7, 
 887 128.657   2.194   8.917 1 U         -1.644e+03  0.00e+00 m   0  126  131  127 0 #N 7, HB 7, HN 7, 
 888 128.657   0.922   8.917 1 U         -1.399e+03  0.00e+00 m   0  126  132  127 0 #N 7, QG2 7, HN 7, 
 889 128.657   1.728   8.917 1 U         -1.586e+03  0.00e+00 m   0  126  138  127 0 #N 7, HG12 7, HN 7, 
 890 128.657   0.873   8.917 1 U         -1.809e+03  0.00e+00 m   0  126  139  127 0 #N 7, HG13 7, HN 7, 
 891 128.657   0.700   8.917 1 U         -1.504e+03  0.00e+00 m   0  126  141  127 0 #N 7, QD1 7, HN 7, 
 892 121.432   8.176   8.176 1 U         -4.158e+04  0.00e+00 m   0  147  148  148 0 #N 8, HN 8, HN 8, 
 893 121.432   5.117   8.176 1 U         -2.249e+03  0.00e+00 m   0  147  150  148 0 #N 8, HA 8, HN 8, 
 894 121.432   2.122   8.176 1 U         -2.258e+03  0.00e+00 m   0  147  152  148 0 #N 8, HB 8, HN 8, 
 895 121.432   0.967   8.176 1 U         -8.180e+03  0.00e+00 m   0  147  153  148 0 #N 8, QG1 8, HN 8, 
 896 121.432   0.776   8.176 1 U         -3.931e+03  0.00e+00 m   0  147  154  148 0 #N 8, QG2 8, HN 8, 
 897 118.490   7.535   7.535 1 U         -6.765e+03  0.00e+00 m   0  294  295  295 0 #N 17, HN 17, HN 17, 
 898 118.490   4.390   7.535 1 U         -3.800e+01  0.00e+00 m   0  294  297  295 0 #N 17, HA 17, HN 17, 
 899 118.490   2.030   7.535 1 U         -9.650e+02  0.00e+00 m   0  294  299  295 0 #N 17, HB2 17, HN 17, 
 900 118.490   1.991   7.535 1 U          8.300e+01  0.00e+00 m   0  294  300  295 0 #N 17, HB3 17, HN 17, 
 901 118.490   2.440   7.535 1 U          1.540e+02  0.00e+00 m   0  294  303  295 0 #N 17, HG2 17, HN 17, 
 902 118.490   2.410   7.535 1 U         -4.070e+02  0.00e+00 m   0  294  304  295 0 #N 17, HG3 17, HN 17, 
 903 118.480   7.563   7.563 1 U         -1.274e+04  0.00e+00 m   0  351  352  352 0 #N 20, HN 20, HN 20, 
 904 118.480   3.712   7.563 1 U         -1.478e+03  0.00e+00 m   0  351  354  352 0 #N 20, HA 20, HN 20, 
 905 118.480   1.776   7.563 1 U         -3.293e+03  0.00e+00 m   0  351  356  352 0 #N 20, HB 20, HN 20, 
 906 118.480   0.469   7.563 1 U         -7.890e+02  0.00e+00 m   0  351  357  352 0 #N 20, QG2 20, HN 20, 
 907 118.480   1.547   7.563 1 U         -1.786e+03  0.00e+00 m   0  351  363  352 0 #N 20, HG12 20, HN 20, 
 908 118.480   0.954   7.563 1 U         -5.630e+02  0.00e+00 m   0  351  364  352 0 #N 20, HG13 20, HN 20, 
 909 118.480   0.702   7.563 1 U         -9.060e+02  0.00e+00 m   0  351  366  352 0 #N 20, QD1 20, HN 20, 
 910 118.732   7.924   7.924 1 U         -2.638e+04  0.00e+00 m   0  372  373  373 0 #N 21, HN 21, HN 21, 
 911 118.732   3.703   7.924 1 U         -1.737e+03  0.00e+00 m   0  372  375  373 0 #N 21, HA 21, HN 21, 
 912 118.732   1.123   7.924 1 U         -4.360e+02  0.00e+00 m   0  372  377  373 0 #N 21, HB2 21, HN 21, 
 913 118.732   1.755   7.924 1 U         -5.118e+03  0.00e+00 m   0  372  378  373 0 #N 21, HB3 21, HN 21, 
 914 118.732   1.767   7.924 1 U         -5.118e+03  0.00e+00 m   0  372  381  373 0 #N 21, HG 21, HN 21, 
 915 118.732   0.570   7.924 1 U         -1.208e+03  0.00e+00 m   0  372  382  373 0 #N 21, QD1 21, HN 21, 
 916 118.732   0.682   7.924 1 U         -1.610e+03  0.00e+00 m   0  372  383  373 0 #N 21, QD2 21, HN 21, 
 917 115.689   7.837   7.837 1 U         -4.338e+04  0.00e+00 m   0  394  395  395 0 #N 22, HN 22, HN 22, 
 918 115.689   3.774   7.837 1 U         -3.794e+03  0.00e+00 m   0  394  397  395 0 #N 22, HA 22, HN 22, 
 919 115.689   1.623   7.837 1 U         -8.828e+03  0.00e+00 m   0  394  399  395 0 #N 22, HB2 22, HN 22, 
 920 115.689   1.626   7.837 1 U         -8.828e+03  0.00e+00 m   0  394  400  395 0 #N 22, HB3 22, HN 22, 
 921 115.689   1.396   7.837 1 U         -3.044e+03  0.00e+00 m   0  394  403  395 0 #N 22, HG2 22, HN 22, 
 922 115.689   1.280   7.837 1 U         -1.971e+03  0.00e+00 m   0  394  404  395 0 #N 22, HG3 22, HN 22, 
 923 115.689   1.641   7.837 1 U         -8.828e+03  0.00e+00 m   0  394  407  395 0 #N 22, HD2 22, HN 22, 
 924 115.689   1.643   7.837 1 U         -8.828e+03  0.00e+00 m   0  394  408  395 0 #N 22, HD3 22, HN 22, 
 925 115.689   2.930   7.837 1 U         -2.470e+02  0.00e+00 m   0  394  411  395 0 #N 22, HE2 22, HN 22, 
 926 115.689   2.930   7.837 1 U         -2.470e+02  0.00e+00 m   0  394  412  395 0 #N 22, HE3 22, HN 22, 
 927 118.722   7.488   7.488 1 U         -4.210e+04  0.00e+00 m   0  419  420  420 0 #N 23, HN 23, HN 23, 
 928 118.722   4.042   7.488 1 U         -4.459e+03  0.00e+00 m   0  419  422  420 0 #N 23, HA 23, HN 23, 
 929 118.722   2.199   7.488 1 U         -4.997e+03  0.00e+00 m   0  419  424  420 0 #N 23, HB2 23, HN 23, 
 930 118.722   2.085   7.488 1 U         -9.157e+03  0.00e+00 m   0  419  425  420 0 #N 23, HB3 23, HN 23, 
 931 118.722   2.223   7.488 1 U         -3.601e+03  0.00e+00 m   0  419  428  420 0 #N 23, HG2 23, HN 23, 
 932 118.722   2.369   7.488 1 U         -2.016e+03  0.00e+00 m   0  419  429  420 0 #N 23, HG3 23, HN 23, 
 933 118.224   7.938   7.938 1 U         -5.572e+04  0.00e+00 m   0  434  435  435 0 #N 24, HN 24, HN 24, 
 934 118.224   3.876   7.938 1 U         -1.823e+03  0.00e+00 m   0  434  437  435 0 #N 24, HA 24, HN 24, 
 935 118.224   1.865   7.938 1 U         -3.088e+03  0.00e+00 m   0  434  439  435 0 #N 24, HB 24, HN 24, 
 936 118.224   0.856   7.938 1 U         -3.590e+03  0.00e+00 m   0  434  440  435 0 #N 24, QG2 24, HN 24, 
 937 118.224   1.583   7.938 1 U         -2.711e+03  0.00e+00 m   0  434  446  435 0 #N 24, HG12 24, HN 24, 
 938 118.224   1.133   7.938 1 U         -1.445e+03  0.00e+00 m   0  434  447  435 0 #N 24, HG13 24, HN 24, 
 939 118.224   0.630   7.938 1 U         -1.243e+03  0.00e+00 m   0  434  449  435 0 #N 24, QD1 24, HN 24, 
 940 109.751   7.678   7.678 1 U         -4.878e+04  0.00e+00 m   0  455  456  456 0 #N 25, HN 25, HN 25, 
 941 109.751   3.684   7.678 1 U         -7.771e+03  0.00e+00 m   0  455  458  456 0 #N 25, HA1 25, HN 25, 
 942 109.751   4.489   7.678 1 U         -4.391e+03  0.00e+00 m   0  455  459  456 0 #N 25, HA2 25, HN 25, 
 943 122.103   8.622   8.622 1 U         -1.582e+04  0.00e+00 m   0  462  463  463 0 #N 26, HN 26, HN 26, 
 944 122.103   3.789   8.622 1 U         -3.068e+03  0.00e+00 m   0  462  465  463 0 #N 26, HA 26, HN 26, 
 945 122.103   2.156   8.622 1 U         -1.772e+03  0.00e+00 m   0  462  467  463 0 #N 26, HB 26, HN 26, 
 946 122.103   0.998   8.622 1 U         -1.112e+04  0.00e+00 m   0  462  468  463 0 #N 26, QG1 26, HN 26, 
 947 122.103   1.006   8.622 1 U         -1.112e+04  0.00e+00 m   0  462  469  463 0 #N 26, QG2 26, HN 26, 
 948 117.259   8.780   8.780 1 U         -4.583e+04  0.00e+00 m   0  480  481  481 0 #N 27, HN 27, HN 27, 
 949 117.259   4.614   8.780 1 U         -6.226e+03  0.00e+00 m   0  480  483  481 0 #N 27, HA 27, HN 27, 
 950 117.259   2.740   8.780 1 U         -9.373e+03  0.00e+00 m   0  480  485  481 0 #N 27, HB2 27, HN 27, 
 951 117.259   2.749   8.780 1 U         -9.373e+03  0.00e+00 m   0  480  486  481 0 #N 27, HB3 27, HN 27, 
 952 116.775   7.864   7.864 1 U         -2.018e+04  0.00e+00 m   0  491  492  492 0 #N 28, HN 28, HN 28, 
 953 116.775   4.573   7.864 1 U         -3.116e+03  0.00e+00 m   0  491  494  492 0 #N 28, HA 28, HN 28, 
 954 116.775   2.033   7.864 1 U         -2.731e+03  0.00e+00 m   0  491  496  492 0 #N 28, HB2 28, HN 28, 
 955 116.775   2.013   7.864 1 U         -2.859e+03  0.00e+00 m   0  491  497  492 0 #N 28, HB3 28, HN 28, 
 956 116.775   1.670   7.864 1 U         -2.346e+03  0.00e+00 m   0  491  500  492 0 #N 28, HG2 28, HN 28, 
 957 116.775   1.630   7.864 1 U         -1.786e+03  0.00e+00 m   0  491  501  492 0 #N 28, HG3 28, HN 28, 
 958 116.775   3.218   7.864 1 U         -5.910e+02  0.00e+00 m   0  491  504  492 0 #N 28, HD2 28, HN 28, 
 959 116.775   3.215   7.864 1 U         -5.910e+02  0.00e+00 m   0  491  505  492 0 #N 28, HD3 28, HN 28, 
 960 117.380   7.236   7.236 1 U         -1.387e+04  0.00e+00 m   0  517  518  518 0 #N 29, HN 29, HN 29, 
 961 117.380   4.974   7.236 1 U         -9.110e+02  0.00e+00 m   0  517  520  518 0 #N 29, HA 29, HN 29, 
 962 117.380   2.046   7.236 1 U         -2.582e+03  0.00e+00 m   0  517  522  518 0 #N 29, HB 29, HN 29, 
 963 117.380   0.880   7.236 1 U         -1.460e+03  0.00e+00 m   0  517  523  518 0 #N 29, QG2 29, HN 29, 
 964 117.380   1.427   7.236 1 U         -8.250e+02  0.00e+00 m   0  517  529  518 0 #N 29, HG12 29, HN 29, 
 965 117.380   1.567   7.236 1 U         -7.030e+02  0.00e+00 m   0  517  530  518 0 #N 29, HG13 29, HN 29, 
 966 117.380   0.722   7.236 1 U         -9.070e+02  0.00e+00 m   0  517  532  518 0 #N 29, QD1 29, HN 29, 
 967 125.494   8.603   8.603 1 U         -2.651e+04  0.00e+00 m   0  538  539  539 0 #N 30, HN 30, HN 30, 
 968 125.494   4.844   8.603 1 U         -4.391e+03  0.00e+00 m   0  538  541  539 0 #N 30, HA 30, HN 30, 
 969 125.494   1.919   8.603 1 U         -3.048e+03  0.00e+00 m   0  538  543  539 0 #N 30, HB 30, HN 30, 
 970 125.494   0.852   8.603 1 U         -7.919e+03  0.00e+00 m   0  538  544  539 0 #N 30, QG1 30, HN 30, 
 971 125.494   0.996   8.603 1 U         -4.973e+03  0.00e+00 m   0  538  545  539 0 #N 30, QG2 30, HN 30, 
 972 126.099   8.348   8.348 1 U         -2.542e+04  0.00e+00 m   0  556  557  557 0 #N 31, HN 31, HN 31, 
 973 126.099   5.196   8.348 1 U         -1.800e+03  0.00e+00 m   0  556  559  557 0 #N 31, HA 31, HN 31, 
 974 126.099   1.803   8.348 1 U         -4.470e+03  0.00e+00 m   0  556  561  557 0 #N 31, HB 31, HN 31, 
 975 126.099   0.778   8.348 1 U         -3.772e+03  0.00e+00 m   0  556  562  557 0 #N 31, QG2 31, HN 31, 
 976 126.099   1.371   8.348 1 U         -1.925e+03  0.00e+00 m   0  556  568  557 0 #N 31, HG12 31, HN 31, 
 977 126.099   1.472   8.348 1 U         -2.002e+03  0.00e+00 m   0  556  569  557 0 #N 31, HG13 31, HN 31, 
 978 126.099   0.787   8.348 1 U         -3.772e+03  0.00e+00 m   0  556  571  557 0 #N 31, QD1 31, HN 31, 
 979 127.413   8.925   8.925 1 U         -1.186e+04  0.00e+00 m   0  577  578  578 0 #N 32, HN 32, HN 32, 
 980 127.413   5.159   8.925 1 U         -3.008e+03  0.00e+00 m   0  577  580  578 0 #N 32, HA 32, HN 32, 
 981 127.413   1.737   8.925 1 U         -2.019e+03  0.00e+00 m   0  577  582  578 0 #N 32, HB 32, HN 32, 
 982 127.413   0.918   8.925 1 U         -1.786e+03  0.00e+00 m   0  577  583  578 0 #N 32, QG2 32, HN 32, 
 983 127.413   1.563   8.925 1 U         -1.480e+02  0.00e+00 m   0  577  589  578 0 #N 32, HG12 32, HN 32, 
 984 127.413   1.465   8.925 1 U         -3.210e+02  0.00e+00 m   0  577  590  578 0 #N 32, HG13 32, HN 32, 
 985 127.413   0.751   8.925 1 U         -3.032e+03  0.00e+00 m   0  577  592  578 0 #N 32, QD1 32, HN 32, 
 986 118.833   8.891   8.891 1 U         -2.715e+04  0.00e+00 m   0  598  599  599 0 #N 33, HN 33, HN 33, 
 987 118.833   5.153   8.891 1 U         -1.032e+04  0.00e+00 m   0  598  601  599 0 #N 33, HA 33, HN 33, 
 988 118.833   4.220   8.891 1 U         -9.310e+02  0.00e+00 m   0  598  603  599 0 #N 33, HB 33, HN 33, 
 989 118.833   1.056   8.891 1 U         -5.977e+03  0.00e+00 m   0  598  604  599 0 #N 33, QG2 33, HN 33, 
 990 115.806   7.245   7.245 1 U         -2.160e+04  0.00e+00 m   0  611  612  612 0 #N 34, HN 34, HN 34, 
 991 115.806   4.848   7.245 1 U         -2.831e+03  0.00e+00 m   0  611  614  612 0 #N 34, HA 34, HN 34, 
 992 115.806   3.900   7.245 1 U         -1.540e+03  0.00e+00 m   0  611  616  612 0 #N 34, HB2 34, HN 34, 
 993 115.806   4.168   7.245 1 U         -2.039e+03  0.00e+00 m   0  611  617  612 0 #N 34, HB3 34, HN 34, 
 994 124.704   8.687   8.687 1 U         -1.491e+04  0.00e+00 m   0  621  622  622 0 #N 35, HN 35, HN 35, 
 995 124.704   4.901   8.687 1 U         -1.570e+03  0.00e+00 m   0  621  624  622 0 #N 35, HA 35, HN 35, 
 996 124.704   3.240   8.687 1 U         -2.400e+03  0.00e+00 m   0  621  626  622 0 #N 35, HB2 35, HN 35, 
 997 124.704   2.904   8.687 1 U         -2.016e+03  0.00e+00 m   0  621  627  622 0 #N 35, HB3 35, HN 35, 
 998 124.704   7.522   8.687 1 U         -2.780e+02  0.00e+00 m   0  621  631  622 0 #N 35, HD21 35, HN 35, 
 999 124.704   8.038   8.687 1 U         -5.660e+02  0.00e+00 m   0  621  632  622 0 #N 35, HD22 35, HN 35, 
1000 118.431   8.096   8.096 1 U         -8.458e+04  0.00e+00 m   0  660  661  661 0 #N 37, HN 37, HN 37, 
1001 118.431   4.142   8.096 1 U         -7.430e+03  0.00e+00 m   0  660  663  661 0 #N 37, HA 37, HN 37, 
1002 118.431   2.164   8.096 1 U         -8.226e+03  0.00e+00 m   0  660  665  661 0 #N 37, HB2 37, HN 37, 
1003 118.431   2.288   8.096 1 U         -1.279e+04  0.00e+00 m   0  660  666  661 0 #N 37, HB3 37, HN 37, 
1004 118.431   2.492   8.096 1 U         -5.471e+03  0.00e+00 m   0  660  669  661 0 #N 37, HG2 37, HN 37, 
1005 118.431   2.460   8.096 1 U         -4.914e+03  0.00e+00 m   0  660  670  661 0 #N 37, HG3 37, HN 37, 
1006 118.431   7.857   8.096 1 U         -1.590e+02  0.00e+00 m   0  660  674  661 0 #N 37, HE21 37, HN 37, 
1007 118.431   6.918   8.096 1 U         -3.600e+01  0.00e+00 m   0  660  675  661 0 #N 37, HE22 37, HN 37, 
1008 123.193   7.493   7.493 1 U         -1.932e+04  0.00e+00 m   0  678  679  679 0 #N 38, HN 38, HN 38, 
1009 123.193   4.064   7.493 1 U         -1.965e+03  0.00e+00 m   0  678  681  679 0 #N 38, HA 38, HN 38, 
1010 123.193   1.706   7.493 1 U         -3.851e+03  0.00e+00 m   0  678  683  679 0 #N 38, HB2 38, HN 38, 
1011 123.193   2.070   7.493 1 U         -2.936e+03  0.00e+00 m   0  678  684  679 0 #N 38, HB3 38, HN 38, 
1012 123.193   1.775   7.493 1 U         -1.361e+03  0.00e+00 m   0  678  687  679 0 #N 38, HG 38, HN 38, 
1013 123.193   0.884   7.493 1 U         -1.245e+03  0.00e+00 m   0  678  688  679 0 #N 38, QD1 38, HN 38, 
1014 123.193   0.806   7.493 1 U         -1.464e+03  0.00e+00 m   0  678  689  679 0 #N 38, QD2 38, HN 38, 
1015 121.376   8.147   8.147 1 U         -7.957e+04  0.00e+00 m   0  700  701  701 0 #N 39, HN 39, HN 39, 
1016 121.376   3.808   8.147 1 U         -5.656e+03  0.00e+00 m   0  700  703  701 0 #N 39, HA 39, HN 39, 
1017 121.376   1.440   8.147 1 U         -1.980e+04  0.00e+00 m   0  700  704  701 0 #N 39, QB 39, HN 39, 
1018 117.380   7.978   7.978 1 U         -6.526e+04  0.00e+00 m   0  710  711  711 0 #N 40, HN 40, HN 40, 
1019 117.380   3.966   7.978 1 U         -5.294e+03  0.00e+00 m   0  710  713  711 0 #N 40, HA 40, HN 40, 
1020 117.380   2.081   7.978 1 U         -6.716e+03  0.00e+00 m   0  710  715  711 0 #N 40, HB2 40, HN 40, 
1021 117.380   2.148   7.978 1 U         -1.006e+04  0.00e+00 m   0  710  716  711 0 #N 40, HB3 40, HN 40, 
1022 117.380   2.325   7.978 1 U         -5.664e+03  0.00e+00 m   0  710  719  711 0 #N 40, HG2 40, HN 40, 
1023 117.380   2.461   7.978 1 U         -5.680e+03  0.00e+00 m   0  710  720  711 0 #N 40, HG3 40, HN 40, 
1024 121.850   8.006   8.006 1 U         -8.188e+04  0.00e+00 m   0  725  726  726 0 #N 41, HN 41, HN 41, 
1025 121.850   4.042   8.006 1 U         -7.430e+03  0.00e+00 m   0  725  728  726 0 #N 41, HA 41, HN 41, 
1026 121.850   1.887   8.006 1 U         -7.294e+03  0.00e+00 m   0  725  730  726 0 #N 41, HB2 41, HN 41, 
1027 121.850   1.945   8.006 1 U         -9.714e+03  0.00e+00 m   0  725  731  726 0 #N 41, HB3 41, HN 41, 
1028 121.850   1.523   8.006 1 U         -1.968e+03  0.00e+00 m   0  725  734  726 0 #N 41, HG2 41, HN 41, 
1029 121.850   1.306   8.006 1 U         -2.039e+03  0.00e+00 m   0  725  735  726 0 #N 41, HG3 41, HN 41, 
1030 121.850   2.920   8.006 1 U         -8.810e+02  0.00e+00 m   0  725  738  726 0 #N 41, HD2 41, HN 41, 
1031 121.850   3.197   8.006 1 U         -3.710e+02  0.00e+00 m   0  725  739  726 0 #N 41, HD3 41, HN 41, 
1032 120.166   8.700   8.700 1 U         -5.579e+04  0.00e+00 m   0  751  752  752 0 #N 42, HN 42, HN 42, 
1033 120.166   3.801   8.700 1 U         -6.026e+03  0.00e+00 m   0  751  754  752 0 #N 42, HA 42, HN 42, 
1034 120.166   1.416   8.700 1 U         -1.629e+04  0.00e+00 m   0  751  755  752 0 #N 42, QB 42, HN 42, 
1035 119.439   7.704   7.704 1 U         -8.690e+04  0.00e+00 m   0  761  762  762 0 #N 43, HN 43, HN 43, 
1036 119.439   4.211   7.704 1 U         -5.784e+03  0.00e+00 m   0  761  764  762 0 #N 43, HA 43, HN 43, 
1037 119.439   1.834   7.704 1 U         -1.163e+04  0.00e+00 m   0  761  766  762 0 #N 43, HB2 43, HN 43, 
1038 119.439   2.001   7.704 1 U         -1.024e+04  0.00e+00 m   0  761  767  762 0 #N 43, HB3 43, HN 43, 
1039 119.439   1.413   7.704 1 U         -1.088e+04  0.00e+00 m   0  761  770  762 0 #N 43, HG2 43, HN 43, 
1040 119.439   1.538   7.704 1 U         -3.675e+03  0.00e+00 m   0  761  771  762 0 #N 43, HG3 43, HN 43, 
1041 119.439   1.706   7.704 1 U         -2.984e+03  0.00e+00 m   0  761  774  762 0 #N 43, HD2 43, HN 43, 
1042 119.439   1.702   7.704 1 U         -2.984e+03  0.00e+00 m   0  761  775  762 0 #N 43, HD3 43, HN 43, 
1043 119.439   2.966   7.704 1 U         -4.140e+02  0.00e+00 m   0  761  778  762 0 #N 43, HE2 43, HN 43, 
1044 119.439   2.966   7.704 1 U         -4.140e+02  0.00e+00 m   0  761  779  762 0 #N 43, HE3 43, HN 43, 
1045 121.110   7.787   7.787 1 U         -1.014e+05  0.00e+00 m   0  786  787  787 0 #N 44, HN 44, HN 44, 
1046 121.110   3.987   7.787 1 U         -1.335e+04  0.00e+00 m   0  786  789  787 0 #N 44, HA 44, HN 44, 
1047 121.110   2.124   7.787 1 U         -9.930e+03  0.00e+00 m   0  786  791  787 0 #N 44, HB2 44, HN 44, 
1048 121.110   2.225   7.787 1 U         -1.622e+04  0.00e+00 m   0  786  792  787 0 #N 44, HB3 44, HN 44, 
1049 121.110   2.416   7.787 1 U         -7.567e+03  0.00e+00 m   0  786  795  787 0 #N 44, HG2 44, HN 44, 
1050 121.110   2.402   7.787 1 U         -7.533e+03  0.00e+00 m   0  786  796  787 0 #N 44, HG3 44, HN 44, 
1051 118.591   7.620   7.620 1 U         -4.525e+04  0.00e+00 m   0  801  802  802 0 #N 45, HN 45, HN 45, 
1052 118.591   3.983   7.620 1 U         -6.042e+03  0.00e+00 m   0  801  804  802 0 #N 45, HA 45, HN 45, 
1053 118.591   1.207   7.620 1 U         -1.817e+03  0.00e+00 m   0  801  806  802 0 #N 45, HB2 45, HN 45, 
1054 118.591   1.360   7.620 1 U         -8.464e+03  0.00e+00 m   0  801  807  802 0 #N 45, HB3 45, HN 45, 
1055 118.591   1.381   7.620 1 U         -9.248e+03  0.00e+00 m   0  801  810  802 0 #N 45, HG 45, HN 45, 
1056 118.591   0.201   7.620 1 U         -1.849e+03  0.00e+00 m   0  801  811  802 0 #N 45, QD1 45, HN 45, 
1057 118.591   0.467   7.620 1 U         -1.227e+03  0.00e+00 m   0  801  812  802 0 #N 45, QD2 45, HN 45, 
1058 103.455   7.509   7.509 1 U         -5.302e+04  0.00e+00 m   0  823  824  824 0 #N 46, HN 46, HN 46, 
1059 103.455   3.659   7.509 1 U         -9.328e+03  0.00e+00 m   0  823  826  824 0 #N 46, HA1 46, HN 46, 
1060 103.455   4.342   7.509 1 U         -6.781e+03  0.00e+00 m   0  823  827  824 0 #N 46, HA2 46, HN 46, 
1061 120.622   7.666   7.666 1 U         -2.619e+04  0.00e+00 m   0  830  831  831 0 #N 47, HN 47, HN 47, 
1062 120.622   3.858   7.666 1 U         -2.110e+03  0.00e+00 m   0  830  833  831 0 #N 47, HA 47, HN 47, 
1063 120.622   1.799   7.666 1 U         -3.237e+03  0.00e+00 m   0  830  835  831 0 #N 47, HB 47, HN 47, 
1064 120.622   0.929   7.666 1 U         -6.901e+03  0.00e+00 m   0  830  836  831 0 #N 47, QG1 47, HN 47, 
1065 120.622   0.917   7.666 1 U         -6.901e+03  0.00e+00 m   0  830  837  831 0 #N 47, QG2 47, HN 47, 
1066 124.967   8.452   8.452 1 U         -3.322e+04  0.00e+00 m   0  848  849  849 0 #N 48, HN 48, HN 48, 
1067 124.967   4.636   8.452 1 U         -4.630e+03  0.00e+00 m   0  848  851  849 0 #N 48, HA 48, HN 48, 
1068 124.967   2.673   8.452 1 U         -1.064e+04  0.00e+00 m   0  848  853  849 0 #N 48, HB2 48, HN 48, 
1069 124.967   2.670   8.452 1 U         -1.064e+04  0.00e+00 m   0  848  854  849 0 #N 48, HB3 48, HN 48, 
1070 119.056   7.678   7.678 1 U         -2.545e+04  0.00e+00 m   0  859  860  860 0 #N 49, HN 49, HN 49, 
1071 119.056   4.388   7.678 1 U         -1.419e+03  0.00e+00 m   0  859  862  860 0 #N 49, HA 49, HN 49, 
1072 119.056   1.643   7.678 1 U         -1.536e+03  0.00e+00 m   0  859  864  860 0 #N 49, HB2 49, HN 49, 
1073 119.056   2.209   7.678 1 U         -1.658e+03  0.00e+00 m   0  859  865  860 0 #N 49, HB3 49, HN 49, 
1074 119.056   1.748   7.678 1 U         -1.766e+03  0.00e+00 m   0  859  868  860 0 #N 49, HG2 49, HN 49, 
1075 119.056   1.695   7.678 1 U         -2.093e+03  0.00e+00 m   0  859  869  860 0 #N 49, HG3 49, HN 49, 
1076 119.056   3.105   7.678 1 U         -1.880e+02  0.00e+00 m   0  859  872  860 0 #N 49, HD2 49, HN 49, 
1077 119.056   3.291   7.678 1 U         -2.000e+00  0.00e+00 m   0  859  873  860 0 #N 49, HD3 49, HN 49, 
1078 122.830   7.509   7.509 1 U         -2.346e+04  0.00e+00 m   0  885  886  886 0 #N 50, HN 50, HN 50, 
1079 122.830   4.918   7.509 1 U         -9.820e+02  0.00e+00 m   0  885  888  886 0 #N 50, HA 50, HN 50, 
1080 122.830   1.478   7.509 1 U         -4.141e+03  0.00e+00 m   0  885  890  886 0 #N 50, HB 50, HN 50, 
1081 122.830   0.722   7.509 1 U         -2.087e+03  0.00e+00 m   0  885  891  886 0 #N 50, QG2 50, HN 50, 
1082 122.830   0.682   7.509 1 U         -7.590e+02  0.00e+00 m   0  885  897  886 0 #N 50, HG12 50, HN 50, 
1083 122.830   1.338   7.509 1 U         -1.504e+03  0.00e+00 m   0  885  898  886 0 #N 50, HG13 50, HN 50, 
1084 122.830   0.854   7.509 1 U         -1.678e+03  0.00e+00 m   0  885  900  886 0 #N 50, QD1 50, HN 50, 
1085 126.705   9.288   9.288 1 U         -2.767e+04  0.00e+00 m   0  906  907  907 0 #N 51, HN 51, HN 51, 
1086 126.705   4.704   9.288 1 U         -1.789e+03  0.00e+00 m   0  906  909  907 0 #N 51, HA 51, HN 51, 
1087 126.705   2.859   9.288 1 U         -1.883e+03  0.00e+00 m   0  906  911  907 0 #N 51, HB2 51, HN 51, 
1088 126.705   2.970   9.288 1 U         -2.956e+03  0.00e+00 m   0  906  912  907 0 #N 51, HB3 51, HN 51, 
1089 126.705   7.000   9.288 1 U         -7.300e+01  0.00e+00 m   0  906  920  907 0 #N 51, HZ 51, HN 51, 
1090 126.705   7.142   9.288 1 U         -2.562e+03  0.00e+00 m   0  906  926  907 0 #N 51, QD 51, HN 51, 
1091 126.705   7.202   9.288 1 U         -7.340e+02  0.00e+00 m   0  906  927  907 0 #N 51, QE 51, HN 51, 
1092 127.189   8.523   8.523 1 U         -3.795e+04  0.00e+00 m   0  929  930  930 0 #N 52, HN 52, HN 52, 
1093 127.189   5.524   8.523 1 U         -2.767e+03  0.00e+00 m   0  929  932  930 0 #N 52, HA 52, HN 52, 
1094 127.189   1.870   8.523 1 U         -6.909e+03  0.00e+00 m   0  929  934  930 0 #N 52, HB2 52, HN 52, 
1095 127.189   1.194   8.523 1 U         -5.640e+03  0.00e+00 m   0  929  935  930 0 #N 52, HB3 52, HN 52, 
1096 127.189   1.438   8.523 1 U         -1.815e+03  0.00e+00 m   0  929  938  930 0 #N 52, HG 52, HN 52, 
1097 127.189   0.835   8.523 1 U         -1.852e+03  0.00e+00 m   0  929  939  930 0 #N 52, QD1 52, HN 52, 
1098 127.189   0.755   8.523 1 U         -2.263e+03  0.00e+00 m   0  929  940  930 0 #N 52, QD2 52, HN 52, 
1099 126.240   8.374   8.374 1 U         -1.872e+04  0.00e+00 m   0  951  952  952 0 #N 53, HN 53, HN 53, 
1100 126.240   4.801   8.374 1 U         -4.311e+03  0.00e+00 m   0  951  954  952 0 #N 53, HA 53, HN 53, 
1101 126.240   1.477   8.374 1 U         -2.391e+03  0.00e+00 m   0  951  956  952 0 #N 53, HB2 53, HN 53, 
1102 126.240   1.553   8.374 1 U         -2.065e+03  0.00e+00 m   0  951  957  952 0 #N 53, HB3 53, HN 53, 
1103 126.240   1.540   8.374 1 U         -2.065e+03  0.00e+00 m   0  951  960  952 0 #N 53, HG 53, HN 53, 
1104 126.240   0.968   8.374 1 U         -3.024e+03  0.00e+00 m   0  951  961  952 0 #N 53, QD1 53, HN 53, 
1105 126.240   0.801   8.374 1 U         -1.991e+03  0.00e+00 m   0  951  962  952 0 #N 53, QD2 53, HN 53, 
1106 108.541   8.586   8.586 1 U         -4.590e+02  0.00e+00 m   0  973  974  974 0 #N 54, HN 54, HN 54, 
1107 108.541   4.403   8.586 1 U         -3.300e+02  0.00e+00 m   0  973  976  974 0 #N 54, HA 54, HN 54, 
1108 108.541   4.413   8.586 1 U         -6.720e+02  0.00e+00 m   0  973  978  974 0 #N 54, HB 54, HN 54, 
1109 108.541   1.189   8.586 1 U         -8.860e+02  0.00e+00 m   0  973  979  974 0 #N 54, QG2 54, HN 54, 
1110 121.861   7.238   7.238 1 U         -2.944e+03  0.00e+00 m   0  986  987  987 0 #N 55, HN 55, HN 55, 
1111 121.861   4.771   7.238 1 U         -3.245e+03  0.00e+00 m   0  986  989  987 0 #N 55, HA 55, HN 55, 
1112 121.861   2.837   7.238 1 U         -2.699e+03  0.00e+00 m   0  986  991  987 0 #N 55, HB2 55, HN 55, 
1113 121.861   2.673   7.238 1 U         -2.594e+03  0.00e+00 m   0  986  992  987 0 #N 55, HB3 55, HN 55, 
1114 125.057   8.746   8.746 1 U         -2.950e+04  0.00e+00 m   0  997  998  998 0 #N 56, HN 56, HN 56, 
1115 125.057   4.147   8.746 1 U         -4.096e+03  0.00e+00 m   0  997 1000  998 0 #N 56, HA 56, HN 56, 
1116 125.057   2.638   8.746 1 U         -4.879e+03  0.00e+00 m   0  997 1002  998 0 #N 56, HB2 56, HN 56, 
1117 125.057   2.524   8.746 1 U         -3.165e+03  0.00e+00 m   0  997 1003  998 0 #N 56, HB3 56, HN 56, 
1118 120.014   8.327   8.327 1 U         -6.854e+04  0.00e+00 m   0 1008 1009 1009 0 #N 57, HN 57, HN 57, 
1119 120.014   4.059   8.327 1 U         -5.270e+03  0.00e+00 m   0 1008 1011 1009 0 #N 57, HA 57, HN 57, 
1120 120.014   2.099   8.327 1 U         -1.420e+04  0.00e+00 m   0 1008 1013 1009 0 #N 57, HB2 57, HN 57, 
1121 120.014   2.091   8.327 1 U         -1.420e+04  0.00e+00 m   0 1008 1014 1009 0 #N 57, HB3 57, HN 57, 
1122 120.014   2.360   8.327 1 U         -2.984e+03  0.00e+00 m   0 1008 1017 1009 0 #N 57, HG2 57, HN 57, 
1123 120.014   2.316   8.327 1 U         -5.190e+03  0.00e+00 m   0 1008 1018 1009 0 #N 57, HG3 57, HN 57, 
1124 118.978   7.880   7.880 1 U         -5.444e+04  0.00e+00 m   0 1023 1024 1024 0 #N 58, HN 58, HN 58, 
1125 118.978   4.234   7.880 1 U         -5.182e+03  0.00e+00 m   0 1023 1026 1024 0 #N 58, HA 58, HN 58, 
1126 118.978   1.670   7.880 1 U         -8.703e+03  0.00e+00 m   0 1023 1028 1024 0 #N 58, HB2 58, HN 58, 
1127 118.978   1.806   7.880 1 U         -8.601e+03  0.00e+00 m   0 1023 1029 1024 0 #N 58, HB3 58, HN 58, 
1128 118.978   1.685   7.880 1 U         -1.173e+04  0.00e+00 m   0 1023 1032 1024 0 #N 58, HG 58, HN 58, 
1129 118.978   0.898   7.880 1 U         -3.454e+03  0.00e+00 m   0 1023 1033 1024 0 #N 58, QD1 58, HN 58, 
1130 118.978   1.016   7.880 1 U         -1.994e+03  0.00e+00 m   0 1023 1034 1024 0 #N 58, QD2 58, HN 58, 
1131 118.512   7.816   7.816 1 U         -2.288e+04  0.00e+00 m   0 1045 1046 1046 0 #N 59, HN 59, HN 59, 
1132 118.512   3.337   7.816 1 U         -1.769e+03  0.00e+00 m   0 1045 1048 1046 0 #N 59, HA 59, HN 59, 
1133 118.512   1.831   7.816 1 U         -5.744e+03  0.00e+00 m   0 1045 1050 1046 0 #N 59, HB 59, HN 59, 
1134 118.512   0.760   7.816 1 U         -6.050e+03  0.00e+00 m   0 1045 1051 1046 0 #N 59, QG2 59, HN 59, 
1135 118.512   0.768   7.816 1 U         -6.050e+03  0.00e+00 m   0 1045 1057 1046 0 #N 59, HG12 59, HN 59, 
1136 118.512   1.756   7.816 1 U         -4.510e+03  0.00e+00 m   0 1045 1058 1046 0 #N 59, HG13 59, HN 59, 
1137 118.512   0.755   7.816 1 U         -6.050e+03  0.00e+00 m   0 1045 1060 1046 0 #N 59, QD1 59, HN 59, 
1138 120.189   8.347   8.347 1 U         -4.191e+04  0.00e+00 m   0 1066 1067 1067 0 #N 60, HN 60, HN 60, 
1139 120.189   3.744   8.347 1 U         -3.112e+03  0.00e+00 m   0 1066 1069 1067 0 #N 60, HA 60, HN 60, 
1140 120.189   1.326   8.347 1 U         -1.073e+04  0.00e+00 m   0 1066 1070 1067 0 #N 60, QB 60, HN 60, 
1141 116.048   7.773   7.773 1 U         -6.944e+04  0.00e+00 m   0 1076 1077 1077 0 #N 61, HN 61, HN 61, 
1142 116.048   4.000   7.773 1 U         -7.146e+03  0.00e+00 m   0 1076 1079 1077 0 #N 61, HA 61, HN 61, 
1143 116.048   2.134   7.773 1 U         -1.438e+04  0.00e+00 m   0 1076 1081 1077 0 #N 61, HB2 61, HN 61, 
1144 116.048   2.081   7.773 1 U         -8.578e+03  0.00e+00 m   0 1076 1082 1077 0 #N 61, HB3 61, HN 61, 
1145 116.048   2.310   7.773 1 U         -5.833e+03  0.00e+00 m   0 1076 1085 1077 0 #N 61, HG2 61, HN 61, 
1146 116.048   2.310   7.773 1 U         -5.833e+03  0.00e+00 m   0 1076 1086 1077 0 #N 61, HG3 61, HN 61, 
1147 121.740   8.010   8.010 1 U         -4.872e+04  0.00e+00 m   0 1091 1092 1092 0 #N 62, HN 62, HN 62, 
1148 121.740   3.616   8.010 1 U         -2.558e+03  0.00e+00 m   0 1091 1094 1092 0 #N 62, HA 62, HN 62, 
1149 121.740   1.763   8.010 1 U         -6.588e+03  0.00e+00 m   0 1091 1096 1092 0 #N 62, HB 62, HN 62, 
1150 121.740   0.160   8.010 1 U         -1.928e+03  0.00e+00 m   0 1091 1097 1092 0 #N 62, QG2 62, HN 62, 
1151 121.740   1.363   8.010 1 U         -4.061e+03  0.00e+00 m   0 1091 1103 1092 0 #N 62, HG12 62, HN 62, 
1152 121.740   0.931   8.010 1 U         -3.410e+03  0.00e+00 m   0 1091 1104 1092 0 #N 62, HG13 62, HN 62, 
1153 121.740   0.505   8.010 1 U         -1.239e+03  0.00e+00 m   0 1091 1106 1092 0 #N 62, QD1 62, HN 62, 
1154 119.318   7.977   7.977 1 U         -4.788e+04  0.00e+00 m   0 1112 1113 1113 0 #N 63, HN 63, HN 63, 
1155 119.318   3.241   7.977 1 U         -3.931e+03  0.00e+00 m   0 1112 1115 1113 0 #N 63, HA 63, HN 63, 
1156 119.318   2.102   7.977 1 U         -9.248e+03  0.00e+00 m   0 1112 1117 1113 0 #N 63, HB 63, HN 63, 
1157 119.318   0.897   7.977 1 U         -1.266e+04  0.00e+00 m   0 1112 1118 1113 0 #N 63, QG1 63, HN 63, 
1158 119.318   0.764   7.977 1 U         -4.692e+03  0.00e+00 m   0 1112 1119 1113 0 #N 63, QG2 63, HN 63, 
1159 118.712   7.843   7.843 1 U         -4.718e+04  0.00e+00 m   0 1130 1131 1131 0 #N 64, HN 64, HN 64, 
1160 118.712   4.025   7.843 1 U         -5.543e+03  0.00e+00 m   0 1130 1133 1131 0 #N 64, HA 64, HN 64, 
1161 118.712   1.806   7.843 1 U         -7.942e+03  0.00e+00 m   0 1130 1135 1131 0 #N 64, HB2 64, HN 64, 
1162 118.712   2.105   7.843 1 U         -1.152e+04  0.00e+00 m   0 1130 1136 1131 0 #N 64, HB3 64, HN 64, 
1163 118.712   1.480   7.843 1 U         -1.484e+03  0.00e+00 m   0 1130 1139 1131 0 #N 64, HG2 64, HN 64, 
1164 118.712   1.356   7.843 1 U         -1.672e+03  0.00e+00 m   0 1130 1140 1131 0 #N 64, HG3 64, HN 64, 
1165 118.712   1.693   7.843 1 U         -2.723e+03  0.00e+00 m   0 1130 1143 1131 0 #N 64, HD2 64, HN 64, 
1166 118.712   1.679   7.843 1 U         -2.723e+03  0.00e+00 m   0 1130 1144 1131 0 #N 64, HD3 64, HN 64, 
1167 118.712   2.980   7.843 1 U         -2.370e+02  0.00e+00 m   0 1130 1147 1131 0 #N 64, HE2 64, HN 64, 
1168 118.712   2.977   7.843 1 U         -2.370e+02  0.00e+00 m   0 1130 1148 1131 0 #N 64, HE3 64, HN 64, 
1169 121.376   8.435   8.435 1 U         -5.110e+04  0.00e+00 m   0 1155 1156 1156 0 #N 65, HN 65, HN 65, 
1170 121.376   4.002   8.435 1 U         -8.146e+03  0.00e+00 m   0 1155 1158 1156 0 #N 65, HA 65, HN 65, 
1171 121.376   1.945   8.435 1 U         -1.048e+04  0.00e+00 m   0 1155 1160 1156 0 #N 65, HB2 65, HN 65, 
1172 121.376   2.105   8.435 1 U         -5.093e+03  0.00e+00 m   0 1155 1161 1156 0 #N 65, HB3 65, HN 65, 
1173 121.376   1.485   8.435 1 U         -2.638e+03  0.00e+00 m   0 1155 1164 1156 0 #N 65, HG2 65, HN 65, 
1174 121.376   1.614   8.435 1 U         -3.522e+03  0.00e+00 m   0 1155 1165 1156 0 #N 65, HG3 65, HN 65, 
1175 121.376   1.699   8.435 1 U         -3.189e+03  0.00e+00 m   0 1155 1168 1156 0 #N 65, HD2 65, HN 65, 
1176 121.376   1.709   8.435 1 U         -2.420e+03  0.00e+00 m   0 1155 1169 1156 0 #N 65, HD3 65, HN 65, 
1177 121.376   2.983   8.435 1 U         -6.160e+02  0.00e+00 m   0 1155 1172 1156 0 #N 65, HE2 65, HN 65, 
1178 121.376   2.980   8.435 1 U         -6.160e+02  0.00e+00 m   0 1155 1173 1156 0 #N 65, HE3 65, HN 65, 
1179 117.017   8.203   8.203 1 U         -5.566e+04  0.00e+00 m   0 1180 1181 1181 0 #N 66, HN 66, HN 66, 
1180 117.017   4.155   8.203 1 U         -5.969e+03  0.00e+00 m   0 1180 1183 1181 0 #N 66, HA 66, HN 66, 
1181 117.017   1.884   8.203 1 U         -1.488e+04  0.00e+00 m   0 1180 1185 1181 0 #N 66, HB2 66, HN 66, 
1182 117.017   1.367   8.203 1 U         -5.302e+03  0.00e+00 m   0 1180 1186 1181 0 #N 66, HB3 66, HN 66, 
1183 117.017   1.902   8.203 1 U         -1.786e+04  0.00e+00 m   0 1180 1189 1181 0 #N 66, HG 66, HN 66, 
1184 117.017   0.957   8.203 1 U         -3.993e+03  0.00e+00 m   0 1180 1190 1181 0 #N 66, QD1 66, HN 66, 
1185 117.017   0.743   8.203 1 U         -4.981e+03  0.00e+00 m   0 1180 1191 1181 0 #N 66, QD2 66, HN 66, 
1186 106.361   7.840   7.840 1 U         -5.039e+04  0.00e+00 m   0 1202 1203 1203 0 #N 67, HN 67, HN 67, 
1187 118.591   6.758   6.758 1 U         -4.435e+04  0.00e+00 m   0 1209 1210 1210 0 #N 68, HN 68, HN 68, 
1188 118.591   4.165   6.758 1 U         -3.414e+03  0.00e+00 m   0 1209 1212 1210 0 #N 68, HA 68, HN 68, 
1189 118.591   1.244   6.758 1 U         -1.277e+04  0.00e+00 m   0 1209 1213 1210 0 #N 68, QB 68, HN 68, 
1190 117.017   8.861   8.861 1 U         -1.250e+04  0.00e+00 m   0 1219 1220 1220 0 #N 69, HN 69, HN 69, 
1191 117.017   4.868   8.861 1 U         -1.656e+03  0.00e+00 m   0 1219 1222 1220 0 #N 69, HA 69, HN 69, 
1192 117.017   2.834   8.861 1 U         -1.783e+03  0.00e+00 m   0 1219 1224 1220 0 #N 69, HB2 69, HN 69, 
1193 117.017   2.718   8.861 1 U         -1.516e+03  0.00e+00 m   0 1219 1225 1220 0 #N 69, HB3 69, HN 69, 
1194 118.228   7.394   7.394 1 U         -9.782e+03  0.00e+00 m   0 1230 1231 1231 0 #N 70, HN 70, HN 70, 
1195 118.228   4.943   7.394 1 U         -1.060e+03  0.00e+00 m   0 1230 1233 1231 0 #N 70, HA 70, HN 70, 
1196 118.228   1.827   7.394 1 U         -1.602e+03  0.00e+00 m   0 1230 1235 1231 0 #N 70, HB 70, HN 70, 
1197 118.228   0.800   7.394 1 U         -1.626e+03  0.00e+00 m   0 1230 1236 1231 0 #N 70, QG2 70, HN 70, 
1198 118.228   0.860   7.394 1 U         -9.740e+02  0.00e+00 m   0 1230 1242 1231 0 #N 70, HG12 70, HN 70, 
1199 118.228   1.240   7.394 1 U         -1.556e+03  0.00e+00 m   0 1230 1243 1231 0 #N 70, HG13 70, HN 70, 
1200 118.228   0.771   7.394 1 U         -1.646e+03  0.00e+00 m   0 1230 1245 1231 0 #N 70, QD1 70, HN 70, 
1201 125.933   9.040   9.040 1 U         -2.748e+04  0.00e+00 m   0 1251 1252 1252 0 #N 71, HN 71, HN 71, 
1202 125.933   5.264   9.040 1 U         -2.437e+03  0.00e+00 m   0 1251 1254 1252 0 #N 71, HA 71, HN 71, 
1203 125.933   1.952   9.040 1 U         -3.618e+03  0.00e+00 m   0 1251 1256 1252 0 #N 71, HB 71, HN 71, 
1204 125.933   0.790   9.040 1 U         -9.962e+03  0.00e+00 m   0 1251 1257 1252 0 #N 71, QG1 71, HN 71, 
1205 125.933   0.820   9.040 1 U         -1.011e+04  0.00e+00 m   0 1251 1258 1252 0 #N 71, QG2 71, HN 71, 
1206 126.725   9.511   9.511 1 U         -3.028e+03  0.00e+00 m   0 1269 1270 1270 0 #N 72, HN 72, HN 72, 
1207 126.725   5.643   9.511 1 U         -2.540e+02  0.00e+00 m   0 1269 1272 1270 0 #N 72, HA 72, HN 72, 
1208 126.725   2.705   9.511 1 U         -4.780e+02  0.00e+00 m   0 1269 1274 1270 0 #N 72, HB2 72, HN 72, 
1209 126.725   3.228   9.511 1 U         -6.750e+02  0.00e+00 m   0 1269 1275 1270 0 #N 72, HB3 72, HN 72, 
1210 126.725   7.005   9.511 1 U          1.100e+01  0.00e+00 m   0 1269 1283 1270 0 #N 72, HZ 72, HN 72, 
1211 126.725   7.000   9.511 1 U         -1.110e+02  0.00e+00 m   0 1269 1289 1270 0 #N 72, QD 72, HN 72, 
1212 126.725   7.150   9.511 1 U         -1.500e+01  0.00e+00 m   0 1269 1290 1270 0 #N 72, QE 72, HN 72, 
1213 118.245   7.926   7.926 1 U         -6.726e+04  0.00e+00 m   0 1292 1293 1293 0 #N 73, HN 73, HN 73, 
1214 118.245   5.090   7.926 1 U         -1.820e+03  0.00e+00 m   0 1292 1295 1293 0 #N 73, HA 73, HN 73, 
1215 118.245   3.398   7.926 1 U         -2.104e+03  0.00e+00 m   0 1292 1297 1293 0 #N 73, HB2 73, HN 73, 
1216 118.245   3.538   7.926 1 U         -1.560e+03  0.00e+00 m   0 1292 1298 1293 0 #N 73, HB3 73, HN 73, 
1217 125.756   9.304   9.304 1 U         -1.484e+04  0.00e+00 m   0 1317 1318 1318 0 #N 75, HN 75, HN 75, 
1218 125.756   4.819   9.304 1 U         -1.086e+03  0.00e+00 m   0 1317 1320 1318 0 #N 75, HA 75, HN 75, 
1219 125.756   2.637   9.304 1 U         -1.405e+03  0.00e+00 m   0 1317 1322 1318 0 #N 75, HB2 75, HN 75, 
1220 125.756   3.136   9.304 1 U         -1.482e+03  0.00e+00 m   0 1317 1323 1318 0 #N 75, HB3 75, HN 75, 
1221 125.756   7.245   9.304 1 U         -3.300e+01  0.00e+00 m   0 1317 1327 1318 0 #N 75, HD21 75, HN 75, 
1222 125.756   7.815   9.304 1 U         -2.660e+02  0.00e+00 m   0 1317 1328 1318 0 #N 75, HD22 75, HN 75, 
1223 120.008   8.084   8.084 1 U         -1.747e+04  0.00e+00 m   0 1331 1332 1332 0 #N 76, HN 76, HN 76, 
1224 120.008   3.890   8.084 1 U         -1.303e+03  0.00e+00 m   0 1331 1334 1332 0 #N 76, HA 76, HN 76, 
1225 120.008   1.838   8.084 1 U         -1.073e+03  0.00e+00 m   0 1331 1336 1332 0 #N 76, HB2 76, HN 76, 
1226 120.008   1.899   8.084 1 U         -4.810e+02  0.00e+00 m   0 1331 1337 1332 0 #N 76, HB3 76, HN 76, 
1227 120.008   1.619   8.084 1 U         -1.261e+03  0.00e+00 m   0 1331 1340 1332 0 #N 76, HG2 76, HN 76, 
1228 120.008   1.539   8.084 1 U         -3.750e+02  0.00e+00 m   0 1331 1341 1332 0 #N 76, HG3 76, HN 76, 
1229 120.008   3.201   8.084 1 U          1.090e+02  0.00e+00 m   0 1331 1344 1332 0 #N 76, HD2 76, HN 76, 
1230 120.008   3.205   8.084 1 U          4.500e+01  0.00e+00 m   0 1331 1345 1332 0 #N 76, HD3 76, HN 76, 
1231 119.681   8.017   8.017 1 U         -7.381e+04  0.00e+00 m   0 1357 1358 1358 0 #N 77, HN 77, HN 77, 
1232 119.681   4.366   8.017 1 U         -5.793e+03  0.00e+00 m   0 1357 1360 1358 0 #N 77, HA 77, HN 77, 
1233 119.681   2.827   8.017 1 U         -8.669e+03  0.00e+00 m   0 1357 1362 1358 0 #N 77, HB2 77, HN 77, 
1234 119.681   2.645   8.017 1 U         -6.275e+03  0.00e+00 m   0 1357 1363 1358 0 #N 77, HB3 77, HN 77, 
1235 119.923   8.299   8.299 1 U         -6.063e+04  0.00e+00 m   0 1368 1369 1369 0 #N 78, HN 78, HN 78, 
1236 119.923   3.607   8.299 1 U         -4.078e+03  0.00e+00 m   0 1368 1371 1369 0 #N 78, HA 78, HN 78, 
1237 119.923   1.682   8.299 1 U         -1.017e+04  0.00e+00 m   0 1368 1373 1369 0 #N 78, HB 78, HN 78, 
1238 119.923   0.880   8.299 1 U         -4.192e+03  0.00e+00 m   0 1368 1374 1369 0 #N 78, QG2 78, HN 78, 
1239 119.923   1.624   8.299 1 U         -9.146e+03  0.00e+00 m   0 1368 1380 1369 0 #N 78, HG12 78, HN 78, 
1240 119.923   1.017   8.299 1 U         -3.398e+03  0.00e+00 m   0 1368 1381 1369 0 #N 78, HG13 78, HN 78, 
1241 119.923   0.840   8.299 1 U         -6.210e+03  0.00e+00 m   0 1368 1383 1369 0 #N 78, QD1 78, HN 78, 
1242 120.650   7.699   7.699 1 U         -4.403e+04  0.00e+00 m   0 1389 1390 1390 0 #N 79, HN 79, HN 79, 
1243 120.650   3.783   7.699 1 U         -4.630e+03  0.00e+00 m   0 1389 1392 1390 0 #N 79, HA 79, HN 79, 
1244 120.650   1.420   7.699 1 U         -1.216e+04  0.00e+00 m   0 1389 1393 1390 0 #N 79, QB 79, HN 79, 
1245 114.474   7.996   7.996 1 U         -3.318e+04  0.00e+00 m   0 1399 1400 1400 0 #N 80, HN 80, HN 80, 
1246 114.474   3.790   7.996 1 U         -4.573e+03  0.00e+00 m   0 1399 1402 1400 0 #N 80, HA 80, HN 80, 
1247 114.474   1.895   7.996 1 U         -4.703e+03  0.00e+00 m   0 1399 1404 1400 0 #N 80, HB2 80, HN 80, 
1248 114.474   1.792   7.996 1 U         -4.493e+03  0.00e+00 m   0 1399 1405 1400 0 #N 80, HB3 80, HN 80, 
1249 114.474   1.652   7.996 1 U         -5.817e+03  0.00e+00 m   0 1399 1408 1400 0 #N 80, HG2 80, HN 80, 
1250 114.474   1.285   7.996 1 U         -2.002e+03  0.00e+00 m   0 1399 1409 1400 0 #N 80, HG3 80, HN 80, 
1251 114.474   1.645   7.996 1 U         -5.817e+03  0.00e+00 m   0 1399 1412 1400 0 #N 80, HD2 80, HN 80, 
1252 114.474   1.649   7.996 1 U         -5.817e+03  0.00e+00 m   0 1399 1413 1400 0 #N 80, HD3 80, HN 80, 
1253 114.474   2.787   7.996 1 U         -6.330e+02  0.00e+00 m   0 1399 1416 1400 0 #N 80, HE2 80, HN 80, 
1254 114.474   2.780   7.996 1 U         -6.330e+02  0.00e+00 m   0 1399 1417 1400 0 #N 80, HE3 80, HN 80, 
1255 117.986   7.634   7.634 1 U         -6.481e+04  0.00e+00 m   0 1424 1425 1425 0 #N 81, HN 81, HN 81, 
1256 117.986   3.958   7.634 1 U         -5.752e+03  0.00e+00 m   0 1424 1427 1425 0 #N 81, HA 81, HN 81, 
1257 117.986   1.784   7.634 1 U         -1.019e+04  0.00e+00 m   0 1424 1429 1425 0 #N 81, HB2 81, HN 81, 
1258 117.986   1.954   7.634 1 U         -1.076e+04  0.00e+00 m   0 1424 1430 1425 0 #N 81, HB3 81, HN 81, 
1259 117.986   1.414   7.634 1 U         -5.102e+03  0.00e+00 m   0 1424 1433 1425 0 #N 81, HG2 81, HN 81, 
1260 117.986   1.609   7.634 1 U         -7.578e+03  0.00e+00 m   0 1424 1434 1425 0 #N 81, HG3 81, HN 81, 
1261 117.986   1.610   7.634 1 U         -7.578e+03  0.00e+00 m   0 1424 1437 1425 0 #N 81, HD2 81, HN 81, 
1262 117.986   1.610   7.634 1 U         -7.578e+03  0.00e+00 m   0 1424 1438 1425 0 #N 81, HD3 81, HN 81, 
1263 117.986   2.891   7.634 1 U         -9.180e+02  0.00e+00 m   0 1424 1441 1425 0 #N 81, HE2 81, HN 81, 
1264 117.986   2.891   7.634 1 U         -9.180e+02  0.00e+00 m   0 1424 1442 1425 0 #N 81, HE3 81, HN 81, 
1265 117.623   8.162   8.162 1 U         -4.634e+04  0.00e+00 m   0 1449 1450 1450 0 #N 82, HN 82, HN 82, 
1266 117.623   3.583   8.162 1 U         -3.817e+03  0.00e+00 m   0 1449 1452 1450 0 #N 82, HA 82, HN 82, 
1267 117.623   1.948   8.162 1 U         -1.068e+04  0.00e+00 m   0 1449 1454 1450 0 #N 82, HB 82, HN 82, 
1268 117.623   0.887   8.162 1 U         -5.640e+03  0.00e+00 m   0 1449 1455 1450 0 #N 82, QG2 82, HN 82, 
1269 117.623   0.948   8.162 1 U         -4.675e+03  0.00e+00 m   0 1449 1461 1450 0 #N 82, HG12 82, HN 82, 
1270 117.623   1.814   8.162 1 U         -7.828e+03  0.00e+00 m   0 1449 1462 1450 0 #N 82, HG13 82, HN 82, 
1271 117.623   0.706   8.162 1 U         -4.698e+03  0.00e+00 m   0 1449 1464 1450 0 #N 82, QD1 82, HN 82, 
1272 118.228   8.030   8.030 1 U         -4.962e+04  0.00e+00 m   0 1470 1471 1471 0 #N 83, HN 83, HN 83, 
1273 118.228   3.969   8.030 1 U         -2.703e+03  0.00e+00 m   0 1470 1473 1471 0 #N 83, HA 83, HN 83, 
1274 118.228   1.824   8.030 1 U         -7.123e+03  0.00e+00 m   0 1470 1475 1471 0 #N 83, HB 83, HN 83, 
1275 118.228   0.951   8.030 1 U         -6.042e+03  0.00e+00 m   0 1470 1476 1471 0 #N 83, QG2 83, HN 83, 
1276 118.228   1.563   8.030 1 U         -2.266e+03  0.00e+00 m   0 1470 1482 1471 0 #N 83, HG12 83, HN 83, 
1277 118.228   1.221   8.030 1 U         -1.752e+03  0.00e+00 m   0 1470 1483 1471 0 #N 83, HG13 83, HN 83, 
1278 118.228   0.771   8.030 1 U         -3.052e+03  0.00e+00 m   0 1470 1485 1471 0 #N 83, QD1 83, HN 83, 
1279 117.380   7.399   7.399 1 U         -3.009e+04  0.00e+00 m   0 1491 1492 1492 0 #N 84, HN 84, HN 84, 
1280 117.380   4.136   7.399 1 U         -3.108e+03  0.00e+00 m   0 1491 1494 1492 0 #N 84, HA 84, HN 84, 
1281 117.380   1.845   7.399 1 U         -9.271e+03  0.00e+00 m   0 1491 1496 1492 0 #N 84, HB2 84, HN 84, 
1282 117.380   1.924   7.399 1 U         -3.976e+03  0.00e+00 m   0 1491 1497 1492 0 #N 84, HB3 84, HN 84, 
1283 117.380   1.845   7.399 1 U         -9.271e+03  0.00e+00 m   0 1491 1500 1492 0 #N 84, HG2 84, HN 84, 
1284 117.380   1.712   7.399 1 U         -2.155e+03  0.00e+00 m   0 1491 1501 1492 0 #N 84, HG3 84, HN 84, 
1285 117.380   3.130   7.399 1 U         -5.560e+02  0.00e+00 m   0 1491 1504 1492 0 #N 84, HD2 84, HN 84, 
1286 117.380   3.173   7.399 1 U         -4.480e+02  0.00e+00 m   0 1491 1505 1492 0 #N 84, HD3 84, HN 84, 
1287 117.138   7.438   7.438 1 U         -5.315e+04  0.00e+00 m   0 1517 1518 1518 0 #N 85, HN 85, HN 85, 
1288 117.138   4.325   7.438 1 U         -5.929e+03  0.00e+00 m   0 1517 1520 1518 0 #N 85, HA 85, HN 85, 
1289 117.138   1.806   7.438 1 U         -1.813e+04  0.00e+00 m   0 1517 1522 1518 0 #N 85, HB2 85, HN 85, 
1290 117.138   1.803   7.438 1 U         -1.813e+04  0.00e+00 m   0 1517 1523 1518 0 #N 85, HB3 85, HN 85, 
1291 117.138   1.442   7.438 1 U         -2.847e+03  0.00e+00 m   0 1517 1526 1518 0 #N 85, HG2 85, HN 85, 
1292 117.138   1.531   7.438 1 U         -5.005e+03  0.00e+00 m   0 1517 1527 1518 0 #N 85, HG3 85, HN 85, 
1293 117.138   1.624   7.438 1 U         -1.411e+03  0.00e+00 m   0 1517 1530 1518 0 #N 85, HD2 85, HN 85, 
1294 117.138   1.717   7.438 1 U         -1.991e+03  0.00e+00 m   0 1517 1531 1518 0 #N 85, HD3 85, HN 85, 
1295 117.138   2.923   7.438 1 U         -5.740e+02  0.00e+00 m   0 1517 1534 1518 0 #N 85, HE2 85, HN 85, 
1296 117.138   2.923   7.438 1 U         -5.740e+02  0.00e+00 m   0 1517 1535 1518 0 #N 85, HE3 85, HN 85, 
1297 121.134   8.303   8.303 1 U         -6.426e+04  0.00e+00 m   0 1542 1543 1543 0 #N 86, HN 86, HN 86, 
1298 121.134   4.654   8.303 1 U         -4.130e+03  0.00e+00 m   0 1542 1545 1543 0 #N 86, HA 86, HN 86, 
1299 121.134   1.784   8.303 1 U         -1.504e+04  0.00e+00 m   0 1542 1547 1543 0 #N 86, HB2 86, HN 86, 
1300 121.134   1.476   8.303 1 U         -5.375e+03  0.00e+00 m   0 1542 1548 1543 0 #N 86, HB3 86, HN 86, 
1301 121.134   1.538   8.303 1 U         -6.974e+03  0.00e+00 m   0 1542 1551 1543 0 #N 86, HG 86, HN 86, 
1302 121.134   0.921   8.303 1 U         -6.974e+03  0.00e+00 m   0 1542 1552 1543 0 #N 86, QD1 86, HN 86, 
1303 121.134   0.924   8.303 1 U         -6.974e+03  0.00e+00 m   0 1542 1553 1543 0 #N 86, QD2 86, HN 86, 
1304 119.318   8.134   8.134 1 U         -1.396e+04  0.00e+00 m   0 1564 1565 1565 0 #N 87, HN 87, HN 87, 
1305 119.318   4.285   8.134 1 U         -1.772e+03  0.00e+00 m   0 1564 1567 1565 0 #N 87, HA 87, HN 87, 
1306 119.318   1.824   8.134 1 U         -6.009e+03  0.00e+00 m   0 1564 1569 1565 0 #N 87, HB2 87, HN 87, 
1307 119.318   1.816   8.134 1 U         -6.009e+03  0.00e+00 m   0 1564 1570 1565 0 #N 87, HB3 87, HN 87, 
1308 119.318   1.456   8.134 1 U         -3.325e+03  0.00e+00 m   0 1564 1573 1565 0 #N 87, HG2 87, HN 87, 
1309 119.318   1.438   8.134 1 U         -3.579e+03  0.00e+00 m   0 1564 1574 1565 0 #N 87, HG3 87, HN 87, 
1310 119.318   1.699   8.134 1 U         -5.960e+02  0.00e+00 m   0 1564 1577 1565 0 #N 87, HD2 87, HN 87, 
1311 119.318   1.709   8.134 1 U         -1.062e+03  0.00e+00 m   0 1564 1578 1565 0 #N 87, HD3 87, HN 87, 
1312 119.318   2.916   8.134 1 U          1.270e+02  0.00e+00 m   0 1564 1581 1565 0 #N 87, HE2 87, HN 87, 
1313 119.318   2.926   8.134 1 U          1.270e+02  0.00e+00 m   0 1564 1582 1565 0 #N 87, HE3 87, HN 87, 
1314 115.443   8.756   8.756 1 U         -7.237e+03  0.00e+00 m   0 1589 1590 1590 0 #N 88, HN 88, HN 88, 
1315 115.443   4.711   8.756 1 U         -3.116e+03  0.00e+00 m   0 1589 1592 1590 0 #N 88, HA 88, HN 88, 
1316 115.443   2.844   8.756 1 U         -2.354e+03  0.00e+00 m   0 1589 1594 1590 0 #N 88, HB2 88, HN 88, 
1317 115.443   2.794   8.756 1 U         -2.266e+03  0.00e+00 m   0 1589 1595 1590 0 #N 88, HB3 88, HN 88, 
1318 115.443   6.906   8.756 1 U          6.500e+01  0.00e+00 m   0 1589 1599 1590 0 #N 88, HD21 88, HN 88, 
1319 115.443   7.685   8.756 1 U         -2.310e+02  0.00e+00 m   0 1589 1600 1590 0 #N 88, HD22 88, HN 88, 
1320 119.318   7.269   7.269 1 U         -4.351e+04  0.00e+00 m   0 1603 1604 1604 0 #N 89, HN 89, HN 89, 
1321 119.318   4.325   7.269 1 U         -3.766e+03  0.00e+00 m   0 1603 1606 1604 0 #N 89, HA 89, HN 89, 
1322 119.318   1.756   7.269 1 U         -7.544e+03  0.00e+00 m   0 1603 1608 1604 0 #N 89, HB 89, HN 89, 
1323 119.318   0.787   7.269 1 U         -8.521e+03  0.00e+00 m   0 1603 1609 1604 0 #N 89, QG2 89, HN 89, 
1324 119.318   1.274   7.269 1 U         -2.053e+03  0.00e+00 m   0 1603 1615 1604 0 #N 89, HG12 89, HN 89, 
1325 119.318   1.117   7.269 1 U         -2.803e+03  0.00e+00 m   0 1603 1616 1604 0 #N 89, HG13 89, HN 89, 
1326 119.318   0.700   7.269 1 U         -2.928e+03  0.00e+00 m   0 1603 1618 1604 0 #N 89, QD1 89, HN 89, 
1327 124.888   7.855   7.855 1 U         -2.671e+03  0.00e+00 m   0 1624 1625 1625 0 #N 90, HN 90, HN 90, 
1328 124.888   4.872   7.855 1 U         -1.183e+03  0.00e+00 m   0 1624 1627 1625 0 #N 90, HA 90, HN 90, 
1329 124.888   2.027   7.855 1 U         -1.658e+03  0.00e+00 m   0 1624 1629 1625 0 #N 90, HB 90, HN 90, 
1330 124.888   0.934   7.855 1 U         -1.137e+03  0.00e+00 m   0 1624 1630 1625 0 #N 90, QG2 90, HN 90, 
1331 124.888   1.833   7.855 1 U         -1.168e+03  0.00e+00 m   0 1624 1636 1625 0 #N 90, HG12 90, HN 90, 
1332 124.888   1.106   7.855 1 U         -1.146e+03  0.00e+00 m   0 1624 1637 1625 0 #N 90, HG13 90, HN 90, 
1333 124.888   0.910   7.855 1 U         -1.883e+03  0.00e+00 m   0 1624 1639 1625 0 #N 90, QD1 90, HN 90, 
1334 126.510   8.816   8.816 1 U         -4.004e+04  0.00e+00 m   0 1645 1646 1646 0 #N 91, HN 91, HN 91, 
1335 126.510   5.224   8.816 1 U         -2.514e+03  0.00e+00 m   0 1645 1648 1646 0 #N 91, HA 91, HN 91, 
1336 126.510   1.841   8.816 1 U         -5.423e+03  0.00e+00 m   0 1645 1650 1646 0 #N 91, HB 91, HN 91, 
1337 126.510   0.706   8.816 1 U         -5.961e+03  0.00e+00 m   0 1645 1651 1646 0 #N 91, QG2 91, HN 91, 
1338 126.510   1.330   8.816 1 U         -3.584e+03  0.00e+00 m   0 1645 1657 1646 0 #N 91, HG12 91, HN 91, 
1339 126.510   1.327   8.816 1 U         -3.584e+03  0.00e+00 m   0 1645 1658 1646 0 #N 91, HG13 91, HN 91, 
1340 126.510   0.717   8.816 1 U         -4.989e+03  0.00e+00 m   0 1645 1660 1646 0 #N 91, QD1 91, HN 91, 
1341 126.012   9.298   9.298 1 U         -1.834e+04  0.00e+00 m   0 1666 1667 1667 0 #N 92, HN 92, HN 92, 
1342 126.012   5.383   9.298 1 U         -1.063e+03  0.00e+00 m   0 1666 1669 1667 0 #N 92, HA 92, HN 92, 
1343 126.012   1.648   9.298 1 U         -3.438e+03  0.00e+00 m   0 1666 1671 1667 0 #N 92, HB2 92, HN 92, 
1344 126.012   1.491   9.298 1 U         -1.247e+03  0.00e+00 m   0 1666 1672 1667 0 #N 92, HB3 92, HN 92, 
1345 126.012   1.631   9.298 1 U         -2.420e+03  0.00e+00 m   0 1666 1675 1667 0 #N 92, HG 92, HN 92, 
1346 126.012   0.746   9.298 1 U         -3.766e+03  0.00e+00 m   0 1666 1676 1667 0 #N 92, QD1 92, HN 92, 
1347 126.012   0.835   9.298 1 U         -1.636e+03  0.00e+00 m   0 1666 1677 1667 0 #N 92, QD2 92, HN 92, 
1348 110.720   8.266   8.266 1 U         -3.822e+04  0.00e+00 m   0 1688 1689 1689 0 #N 93, HN 93, HN 93, 
1349 110.720   3.929   8.266 1 U         -2.417e+03  0.00e+00 m   0 1688 1691 1689 0 #N 93, HA 93, HN 93, 
1350 110.720   3.108   8.266 1 U         -2.431e+03  0.00e+00 m   0 1688 1693 1689 0 #N 93, HB2 93, HN 93, 
1351 110.720   3.687   8.266 1 U         -1.735e+03  0.00e+00 m   0 1688 1694 1689 0 #N 93, HB3 93, HN 93, 
1352 122.365   8.139   8.139 1 U         -1.212e+04  0.00e+00 m   0 1698 1699 1699 0 #N 94, HN 94, HN 94, 
1353 122.365   5.249   8.139 1 U         -8.570e+02  0.00e+00 m   0 1698 1701 1699 0 #N 94, HA 94, HN 94, 
1354 122.365   3.085   8.139 1 U         -1.148e+03  0.00e+00 m   0 1698 1703 1699 0 #N 94, HB2 94, HN 94, 
1355 122.365   3.412   8.139 1 U         -1.710e+02  0.00e+00 m   0 1698 1704 1699 0 #N 94, HB3 94, HN 94, 
1356 122.365   7.933   8.139 1 U         -2.230e+02  0.00e+00 m   0 1698 1708 1699 0 #N 94, HD21 94, HN 94, 
1357 122.365   7.213   8.139 1 U         -3.830e+02  0.00e+00 m   0 1698 1709 1699 0 #N 94, HD22 94, HN 94, 
1358 121.561   8.131   8.131 1 U         -4.075e+04  0.00e+00 m   0 1712 1713 1713 0 #N 95, HN 95, HN 95, 
1359 121.561   4.815   8.131 1 U         -2.482e+03  0.00e+00 m   0 1712 1715 1713 0 #N 95, HA 95, HN 95, 
1360 121.561   2.991   8.131 1 U         -3.486e+03  0.00e+00 m   0 1712 1717 1713 0 #N 95, HB2 95, HN 95, 
1361 121.561   2.552   8.131 1 U         -3.474e+03  0.00e+00 m   0 1712 1718 1713 0 #N 95, HB3 95, HN 95, 
1362 126.341   8.953   8.953 1 U         -2.176e+04  0.00e+00 m   0 1723 1724 1724 0 #N 96, HN 96, HN 96, 
1363 126.341   3.755   8.953 1 U         -3.060e+03  0.00e+00 m   0 1723 1726 1724 0 #N 96, HA 96, HN 96, 
1364 126.341   2.086   8.953 1 U         -5.198e+03  0.00e+00 m   0 1723 1728 1724 0 #N 96, HB2 96, HN 96, 
1365 126.341   2.021   8.953 1 U         -5.174e+03  0.00e+00 m   0 1723 1729 1724 0 #N 96, HB3 96, HN 96, 
1366 126.341   2.291   8.953 1 U         -1.618e+03  0.00e+00 m   0 1723 1732 1724 0 #N 96, HG2 96, HN 96, 
1367 126.341   2.236   8.953 1 U         -1.705e+03  0.00e+00 m   0 1723 1733 1724 0 #N 96, HG3 96, HN 96, 
1368 118.228   8.189   8.189 1 U         -7.817e+04  0.00e+00 m   0 1738 1739 1739 0 #N 97, HN 97, HN 97, 
1369 118.228   4.026   8.189 1 U         -7.237e+03  0.00e+00 m   0 1738 1741 1739 0 #N 97, HA 97, HN 97, 
1370 118.228   2.197   8.189 1 U         -1.256e+04  0.00e+00 m   0 1738 1743 1739 0 #N 97, HB2 97, HN 97, 
1371 118.228   2.145   8.189 1 U         -1.253e+04  0.00e+00 m   0 1738 1744 1739 0 #N 97, HB3 97, HN 97, 
1372 118.228   2.469   8.189 1 U         -3.305e+03  0.00e+00 m   0 1738 1747 1739 0 #N 97, HG2 97, HN 97, 
1373 118.228   2.412   8.189 1 U         -4.016e+03  0.00e+00 m   0 1738 1748 1739 0 #N 97, HG3 97, HN 97, 
1374 118.228   6.913   8.189 1 U         -2.200e+02  0.00e+00 m   0 1738 1752 1739 0 #N 97, HE21 97, HN 97, 
1375 118.228   7.819   8.189 1 U         -4.680e+02  0.00e+00 m   0 1738 1753 1739 0 #N 97, HE22 97, HN 97, 
1376 122.830   7.730   7.730 1 U         -4.776e+04  0.00e+00 m   0 1756 1757 1757 0 #N 98, HN 98, HN 98, 
1377 122.830   3.954   7.730 1 U         -5.230e+03  0.00e+00 m   0 1756 1759 1757 0 #N 98, HA 98, HN 98, 
1378 122.830   1.488   7.730 1 U         -6.508e+03  0.00e+00 m   0 1756 1761 1757 0 #N 98, HB2 98, HN 98, 
1379 122.830   2.102   7.730 1 U         -9.021e+03  0.00e+00 m   0 1756 1762 1757 0 #N 98, HB3 98, HN 98, 
1380 122.830   1.435   7.730 1 U         -3.584e+03  0.00e+00 m   0 1756 1765 1757 0 #N 98, HG 98, HN 98, 
1381 122.830   0.832   7.730 1 U         -3.596e+03  0.00e+00 m   0 1756 1766 1757 0 #N 98, QD1 98, HN 98, 
1382 122.830   0.771   7.730 1 U         -3.221e+03  0.00e+00 m   0 1756 1767 1757 0 #N 98, QD2 98, HN 98, 
1383 118.228   7.869   7.869 1 U         -5.238e+04  0.00e+00 m   0 1778 1779 1779 0 #N 99, HN 99, HN 99, 
1384 118.228   3.223   7.869 1 U         -4.652e+03  0.00e+00 m   0 1778 1781 1779 0 #N 99, HA 99, HN 99, 
1385 118.228   2.084   7.869 1 U         -1.256e+04  0.00e+00 m   0 1778 1783 1779 0 #N 99, HB 99, HN 99, 
1386 118.228   0.826   7.869 1 U         -1.297e+04  0.00e+00 m   0 1778 1784 1779 0 #N 99, QG1 99, HN 99, 
1387 118.228   0.735   7.869 1 U         -6.291e+03  0.00e+00 m   0 1778 1785 1779 0 #N 99, QG2 99, HN 99, 
1388 117.259   7.696   7.696 1 U         -7.626e+04  0.00e+00 m   0 1796 1797 1797 0 #N 100, HN 100, HN 100, 
1389 117.259   3.997   7.696 1 U         -9.646e+03  0.00e+00 m   0 1796 1799 1797 0 #N 100, HA 100, HN 100, 
1390 117.259   1.869   7.696 1 U         -1.390e+04  0.00e+00 m   0 1796 1801 1797 0 #N 100, HB2 100, HN 100, 
1391 117.259   1.930   7.696 1 U         -8.998e+03  0.00e+00 m   0 1796 1802 1797 0 #N 100, HB3 100, HN 100, 
1392 117.259   1.618   7.696 1 U         -7.714e+03  0.00e+00 m   0 1796 1805 1797 0 #N 100, HG2 100, HN 100, 
1393 117.259   1.468   7.696 1 U         -3.891e+03  0.00e+00 m   0 1796 1806 1797 0 #N 100, HG3 100, HN 100, 
1394 117.259   1.702   7.696 1 U         -3.386e+03  0.00e+00 m   0 1796 1809 1797 0 #N 100, HD2 100, HN 100, 
1395 117.259   1.706   7.696 1 U         -3.386e+03  0.00e+00 m   0 1796 1810 1797 0 #N 100, HD3 100, HN 100, 
1396 117.259   2.981   7.696 1 U         -4.500e+02  0.00e+00 m   0 1796 1813 1797 0 #N 100, HE2 100, HN 100, 
1397 117.259   2.986   7.696 1 U         -3.490e+02  0.00e+00 m   0 1796 1814 1797 0 #N 100, HE3 100, HN 100, 
1398 119.318   8.049   8.049 1 U         -6.999e+04  0.00e+00 m   0 1821 1822 1822 0 #N 101, HN 101, HN 101, 
1399 119.318   3.991   8.049 1 U         -8.737e+03  0.00e+00 m   0 1821 1824 1822 0 #N 101, HA 101, HN 101, 
1400 119.318   2.162   8.049 1 U         -1.199e+04  0.00e+00 m   0 1821 1826 1822 0 #N 101, HB2 101, HN 101, 
1401 119.318   2.062   8.049 1 U         -8.282e+03  0.00e+00 m   0 1821 1827 1822 0 #N 101, HB3 101, HN 101, 
1402 119.318   2.160   8.049 1 U         -1.199e+04  0.00e+00 m   0 1821 1830 1822 0 #N 101, HG2 101, HN 101, 
1403 119.318   2.433   8.049 1 U         -3.936e+03  0.00e+00 m   0 1821 1831 1822 0 #N 101, HG3 101, HN 101, 
1404 119.318   8.625   8.625 1 U         -4.576e+04  0.00e+00 m   0 1836 1837 1837 0 #N 102, HN 102, HN 102, 
1405 119.318   4.060   8.625 1 U         -4.345e+03  0.00e+00 m   0 1836 1839 1837 0 #N 102, HA 102, HN 102, 
1406 119.318   1.893   8.625 1 U         -1.411e+04  0.00e+00 m   0 1836 1841 1837 0 #N 102, HB2 102, HN 102, 
1407 119.318   1.330   8.625 1 U         -3.993e+03  0.00e+00 m   0 1836 1842 1837 0 #N 102, HB3 102, HN 102, 
1408 119.318   1.906   8.625 1 U         -1.411e+04  0.00e+00 m   0 1836 1845 1837 0 #N 102, HG 102, HN 102, 
1409 119.318   0.760   8.625 1 U         -6.267e+03  0.00e+00 m   0 1836 1846 1837 0 #N 102, QD1 102, HN 102, 
1410 119.318   0.724   8.625 1 U         -7.044e+03  0.00e+00 m   0 1836 1847 1837 0 #N 102, QD2 102, HN 102, 
1411 117.017   8.167   8.167 1 U         -3.786e+04  0.00e+00 m   0 1858 1859 1859 0 #N 103, HN 103, HN 103, 
1412 117.017   3.990   8.167 1 U         -6.901e+03  0.00e+00 m   0 1858 1861 1859 0 #N 103, HA 103, HN 103, 
1413 117.017   2.153   8.167 1 U         -6.909e+03  0.00e+00 m   0 1858 1863 1859 0 #N 103, HB2 103, HN 103, 
1414 117.017   1.966   8.167 1 U         -6.612e+03  0.00e+00 m   0 1858 1864 1859 0 #N 103, HB3 103, HN 103, 
1415 117.017   2.328   8.167 1 U         -2.530e+03  0.00e+00 m   0 1858 1867 1859 0 #N 103, HG2 103, HN 103, 
1416 117.017   2.606   8.167 1 U         -4.442e+03  0.00e+00 m   0 1858 1868 1859 0 #N 103, HG3 103, HN 103, 
1417 117.017   7.145   8.167 1 U         -2.910e+02  0.00e+00 m   0 1858 1872 1859 0 #N 103, HE21 103, HN 103, 
1418 117.017   6.701   8.167 1 U         -4.440e+02  0.00e+00 m   0 1858 1873 1859 0 #N 103, HE22 103, HN 103, 
1419 116.654   7.369   7.369 1 U         -6.781e+04  0.00e+00 m   0 1876 1877 1877 0 #N 104, HN 104, HN 104, 
1420 116.654   4.125   7.369 1 U         -6.958e+03  0.00e+00 m   0 1876 1879 1877 0 #N 104, HA 104, HN 104, 
1421 116.654   1.940   7.369 1 U         -1.850e+04  0.00e+00 m   0 1876 1881 1877 0 #N 104, HB2 104, HN 104, 
1422 116.654   1.940   7.369 1 U         -1.850e+04  0.00e+00 m   0 1876 1882 1877 0 #N 104, HB3 104, HN 104, 
1423 116.654   1.494   7.369 1 U         -2.343e+03  0.00e+00 m   0 1876 1885 1877 0 #N 104, HG2 104, HN 104, 
1424 116.654   1.609   7.369 1 U         -5.415e+03  0.00e+00 m   0 1876 1886 1877 0 #N 104, HG3 104, HN 104, 
1425 116.654   1.723   7.369 1 U         -2.514e+03  0.00e+00 m   0 1876 1889 1877 0 #N 104, HD2 104, HN 104, 
1426 116.654   1.723   7.369 1 U         -2.514e+03  0.00e+00 m   0 1876 1890 1877 0 #N 104, HD3 104, HN 104, 
1427 116.654   2.930   7.369 1 U          1.420e+02  0.00e+00 m   0 1876 1893 1877 0 #N 104, HE2 104, HN 104, 
1428 116.654   2.930   7.369 1 U          1.420e+02  0.00e+00 m   0 1876 1894 1877 0 #N 104, HE3 104, HN 104, 
1429 116.896   7.521   7.521 1 U         -4.686e+04  0.00e+00 m   0 1901 1902 1902 0 #N 105, HN 105, HN 105, 
1430 116.896   4.252   7.521 1 U         -6.034e+03  0.00e+00 m   0 1901 1904 1902 0 #N 105, HA 105, HN 105, 
1431 116.896   2.079   7.521 1 U         -9.419e+03  0.00e+00 m   0 1901 1906 1902 0 #N 105, HB2 105, HN 105, 
1432 116.896   2.048   7.521 1 U         -9.578e+03  0.00e+00 m   0 1901 1907 1902 0 #N 105, HB3 105, HN 105, 
1433 116.896   2.276   7.521 1 U         -7.033e+03  0.00e+00 m   0 1901 1910 1902 0 #N 105, HG2 105, HN 105, 
1434 116.896   2.289   7.521 1 U         -7.033e+03  0.00e+00 m   0 1901 1911 1902 0 #N 105, HG3 105, HN 105, 
1435 122.830   7.971   7.971 1 U         -5.672e+04  0.00e+00 m   0 1916 1917 1917 0 #N 106, HN 106, HN 106, 
1436 122.830   4.575   7.971 1 U         -4.957e+03  0.00e+00 m   0 1916 1919 1917 0 #N 106, HA 106, HN 106, 
1437 122.830   1.349   7.971 1 U         -1.149e+04  0.00e+00 m   0 1916 1920 1917 0 #N 106, QB 106, HN 106, 
1438 119.197   8.540   8.540 1 U         -3.828e+03  0.00e+00 m   0 1936 1937 1937 0 #N 108, HN 108, HN 108, 
1439 119.197   4.631   8.540 1 U         -1.945e+03  0.00e+00 m   0 1936 1939 1937 0 #N 108, HA 108, HN 108, 
1440 119.197   2.743   8.540 1 U         -1.225e+03  0.00e+00 m   0 1936 1941 1937 0 #N 108, HB2 108, HN 108, 
1441 119.197   2.700   8.540 1 U         -1.654e+03  0.00e+00 m   0 1936 1942 1937 0 #N 108, HB3 108, HN 108, 
1442 122.103   7.750   7.750 1 U         -7.017e+04  0.00e+00 m   0 1947 1948 1948 0 #N 109, HN 109, HN 109, 
1443 122.103   4.405   7.750 1 U         -6.074e+03  0.00e+00 m   0 1947 1950 1948 0 #N 109, HA 109, HN 109, 
1444 122.103   1.360   7.750 1 U         -2.092e+04  0.00e+00 m   0 1947 1951 1948 0 #N 109, QB 109, HN 109, 
1445 121.611   8.435   8.435 1 U         -2.063e+04  0.00e+00 m   0 1957 1958 1958 0 #N 110, HN 110, HN 110, 
1446 121.611   4.457   8.435 1 U         -1.119e+03  0.00e+00 m   0 1957 1960 1958 0 #N 110, HA 110, HN 110, 
1447 121.611   1.927   8.435 1 U         -3.652e+03  0.00e+00 m   0 1957 1962 1958 0 #N 110, HB2 110, HN 110, 
1448 121.611   1.797   8.435 1 U         -1.263e+03  0.00e+00 m   0 1957 1963 1958 0 #N 110, HB3 110, HN 110, 
1449 121.611   1.615   8.435 1 U         -1.443e+03  0.00e+00 m   0 1957 1966 1958 0 #N 110, HG2 110, HN 110, 
1450 121.611   1.728   8.435 1 U         -5.460e+02  0.00e+00 m   0 1957 1967 1958 0 #N 110, HG3 110, HN 110, 
1451 121.611   3.209   8.435 1 U         -2.420e+02  0.00e+00 m   0 1957 1970 1958 0 #N 110, HD2 110, HN 110, 
1452 121.611   3.211   8.435 1 U         -2.420e+02  0.00e+00 m   0 1957 1971 1958 0 #N 110, HD3 110, HN 110, 
1453 120.232   7.308   7.308 1 U          1.030e+04  0.00e+00 m   0 1983 1984 1984 0 #N 111, HN 111, HN 111, 
1454 120.232   5.293   7.308 1 U         -9.970e+02  0.00e+00 m   0 1983 1986 1984 0 #N 111, HA 111, HN 111, 
1455 120.232   1.724   7.308 1 U         -1.863e+03  0.00e+00 m   0 1983 1988 1984 0 #N 111, HB 111, HN 111, 
1456 120.232   0.841   7.308 1 U         -7.400e+02  0.00e+00 m   0 1983 1989 1984 0 #N 111, QG1 111, HN 111, 
1457 120.232   0.710   7.308 1 U         -2.275e+03  0.00e+00 m   0 1983 1990 1984 0 #N 111, QG2 111, HN 111, 
1458 123.092   8.924   8.924 1 U         -1.591e+04  0.00e+00 m   0 2001 2002 2002 0 #N 112, HN 112, HN 112, 
1459 123.092   4.821   8.924 1 U         -1.229e+03  0.00e+00 m   0 2001 2004 2002 0 #N 112, HA 112, HN 112, 
1460 123.092   2.564   8.924 1 U         -1.574e+03  0.00e+00 m   0 2001 2006 2002 0 #N 112, HB2 112, HN 112, 
1461 123.092   3.040   8.924 1 U         -9.000e+02  0.00e+00 m   0 2001 2007 2002 0 #N 112, HB3 112, HN 112, 
1462 123.092   7.195   8.924 1 U         -2.590e+02  0.00e+00 m   0 2001 2015 2002 0 #N 112, HZ 112, HN 112, 
1463 123.092   7.095   8.924 1 U         -1.672e+03  0.00e+00 m   0 2001 2021 2002 0 #N 112, QD 112, HN 112, 
1464 123.092   7.125   8.924 1 U         -1.546e+03  0.00e+00 m   0 2001 2022 2002 0 #N 112, QE 112, HN 112, 
1465 120.428   8.938   8.938 1 U         -2.900e+04  0.00e+00 m   0 2024 2025 2025 0 #N 113, HN 113, HN 113, 
1466 120.428   5.357   8.938 1 U         -2.175e+03  0.00e+00 m   0 2024 2027 2025 0 #N 113, HA 113, HN 113, 
1467 120.428   2.567   8.938 1 U         -5.873e+03  0.00e+00 m   0 2024 2029 2025 0 #N 113, HB2 113, HN 113, 
1468 120.428   2.940   8.938 1 U         -5.760e+03  0.00e+00 m   0 2024 2030 2025 0 #N 113, HB3 113, HN 113, 
1469 120.428   7.255   8.938 1 U         -5.720e+02  0.00e+00 m   0 2024 2034 2025 0 #N 113, HD21 113, HN 113, 
1470 120.428   6.575   8.938 1 U         -2.290e+02  0.00e+00 m   0 2024 2035 2025 0 #N 113, HD22 113, HN 113, 
1471 122.607   8.545   8.545 1 U         -2.751e+04  0.00e+00 m   0 2038 2039 2039 0 #N 114, HN 114, HN 114, 
1472 122.607   4.352   8.545 1 U         -1.688e+03  0.00e+00 m   0 2038 2041 2039 0 #N 114, HA 114, HN 114, 
1473 122.607   1.793   8.545 1 U         -9.790e+02  0.00e+00 m   0 2038 2043 2039 0 #N 114, HB 114, HN 114, 
1474 122.607   0.840   8.545 1 U         -5.511e+03  0.00e+00 m   0 2038 2044 2039 0 #N 114, QG1 114, HN 114, 
1475 122.607   0.767   8.545 1 U         -2.297e+03  0.00e+00 m   0 2038 2045 2039 0 #N 114, QG2 114, HN 114, 
1476 120.642   9.249   9.249 1 U         -7.817e+03  0.00e+00 m   0 2056 2057 2057 0 #N 115, HN 115, HN 115, 
1477 120.642   4.639   9.249 1 U         -1.291e+03  0.00e+00 m   0 2056 2059 2057 0 #N 115, HA 115, HN 115, 
1478 120.642   2.119   9.249 1 U         -1.397e+03  0.00e+00 m   0 2056 2061 2057 0 #N 115, HB2 115, HN 115, 
1479 120.642   2.346   9.249 1 U         -1.157e+03  0.00e+00 m   0 2056 2062 2057 0 #N 115, HB3 115, HN 115, 
1480 120.642   2.386   9.249 1 U         -1.367e+03  0.00e+00 m   0 2056 2065 2057 0 #N 115, HG2 115, HN 115, 
1481 120.642   2.466   9.249 1 U         -7.420e+02  0.00e+00 m   0 2056 2066 2057 0 #N 115, HG3 115, HN 115, 
1482 120.642   8.191   9.249 1 U         -1.510e+02  0.00e+00 m   0 2056 2070 2057 0 #N 115, HE21 115, HN 115, 
1483 120.642   7.069   9.249 1 U         -1.700e+02  0.00e+00 m   0 2056 2071 2057 0 #N 115, HE22 115, HN 115, 
1484 108.541   8.066   8.066 1 U         -2.674e+04  0.00e+00 m   0 2074 2075 2075 0 #N 116, HN 116, HN 116, 
1485 108.541   4.843   8.066 1 U         -2.448e+03  0.00e+00 m   0 2074 2077 2075 0 #N 116, HA 116, HN 116, 
1486 108.541   4.716   8.066 1 U         -8.120e+02  0.00e+00 m   0 2074 2079 2075 0 #N 116, HB 116, HN 116, 
1487 108.541   1.301   8.066 1 U         -4.957e+03  0.00e+00 m   0 2074 2080 2075 0 #N 116, QG2 116, HN 116, 
1488 119.027   8.287   8.287 1 U         -1.418e+04  0.00e+00 m   0 2112 2113 2113 0 #N 118, HN 118, HN 118, 
1489 119.027   3.895   8.287 1 U         -2.896e+03  0.00e+00 m   0 2112 2115 2113 0 #N 118, HA 118, HN 118, 
1490 119.027   2.161   8.287 1 U         -2.871e+03  0.00e+00 m   0 2112 2117 2113 0 #N 118, HB2 118, HN 118, 
1491 119.027   1.970   8.287 1 U         -4.198e+03  0.00e+00 m   0 2112 2118 2113 0 #N 118, HB3 118, HN 118, 
1492 119.027   2.467   8.287 1 U         -1.552e+03  0.00e+00 m   0 2112 2121 2113 0 #N 118, HG2 118, HN 118, 
1493 119.027   2.467   8.287 1 U         -1.552e+03  0.00e+00 m   0 2112 2122 2113 0 #N 118, HG3 118, HN 118, 
1494 119.027   7.777   8.287 1 U         -1.720e+02  0.00e+00 m   0 2112 2126 2113 0 #N 118, HE21 118, HN 118, 
1495 119.027   6.946   8.287 1 U         -1.080e+02  0.00e+00 m   0 2112 2127 2113 0 #N 118, HE22 118, HN 118, 
1496 118.732   7.970   7.970 1 U         -5.527e+04  0.00e+00 m   0 2130 2131 2131 0 #N 119, HN 119, HN 119, 
1497 118.732   4.381   7.970 1 U         -6.017e+03  0.00e+00 m   0 2130 2133 2131 0 #N 119, HA 119, HN 119, 
1498 118.732   2.837   7.970 1 U         -4.096e+03  0.00e+00 m   0 2130 2135 2131 0 #N 119, HB2 119, HN 119, 
1499 118.732   3.134   7.970 1 U         -5.126e+03  0.00e+00 m   0 2130 2136 2131 0 #N 119, HB3 119, HN 119, 
1500 119.701   7.865   7.865 1 U         -2.153e+04  0.00e+00 m   0 2141 2142 2142 0 #N 120, HN 120, HN 120, 
1501 119.701   3.997   7.865 1 U         -2.904e+03  0.00e+00 m   0 2141 2144 2142 0 #N 120, HA 120, HN 120, 
1502 119.701   3.007   7.865 1 U         -2.530e+03  0.00e+00 m   0 2141 2146 2142 0 #N 120, HB2 120, HN 120, 
1503 119.701   3.193   7.865 1 U         -3.016e+03  0.00e+00 m   0 2141 2147 2142 0 #N 120, HB3 120, HN 120, 
1504 119.701   6.786   7.865 1 U          1.380e+02  0.00e+00 m   0 2141 2155 2142 0 #N 120, HZ 120, HN 120, 
1505 119.701   7.055   7.865 1 U         -1.024e+03  0.00e+00 m   0 2141 2161 2142 0 #N 120, QD 120, HN 120, 
1506 119.701   6.880   7.865 1 U         -3.700e+01  0.00e+00 m   0 2141 2162 2142 0 #N 120, QE 120, HN 120, 
1507 118.543   8.155   8.155 1 U         -4.075e+04  0.00e+00 m   0 2164 2165 2165 0 #N 121, HN 121, HN 121, 
1508 118.543   3.730   8.155 1 U         -2.448e+03  0.00e+00 m   0 2164 2167 2165 0 #N 121, HA 121, HN 121, 
1509 118.543   1.838   8.155 1 U         -4.249e+03  0.00e+00 m   0 2164 2169 2165 0 #N 121, HB2 121, HN 121, 
1510 118.543   1.949   8.155 1 U         -3.345e+03  0.00e+00 m   0 2164 2170 2165 0 #N 121, HB3 121, HN 121, 
1511 118.543   1.422   8.155 1 U         -1.287e+03  0.00e+00 m   0 2164 2173 2165 0 #N 121, HG2 121, HN 121, 
1512 118.543   1.541   8.155 1 U         -1.812e+03  0.00e+00 m   0 2164 2174 2165 0 #N 121, HG3 121, HN 121, 
1513 118.543   1.638   8.155 1 U         -6.140e+02  0.00e+00 m   0 2164 2177 2165 0 #N 121, HD2 121, HN 121, 
1514 118.543   2.046   8.155 1 U         -1.812e+03  0.00e+00 m   0 2164 2178 2165 0 #N 121, HD3 121, HN 121, 
1515 118.543   2.930   8.155 1 U         -3.630e+02  0.00e+00 m   0 2164 2181 2165 0 #N 121, HE2 121, HN 121, 
1516 118.543   2.930   8.155 1 U         -3.630e+02  0.00e+00 m   0 2164 2182 2165 0 #N 121, HE3 121, HN 121, 
1517 118.349   8.661   8.661 1 U         -1.012e+04  0.00e+00 m   0 2189 2190 2190 0 #N 122, HN 122, HN 122, 
1518 118.349   4.315   8.661 1 U         -1.891e+03  0.00e+00 m   0 2189 2192 2190 0 #N 122, HA 122, HN 122, 
1519 118.349   2.778   8.661 1 U         -2.147e+03  0.00e+00 m   0 2189 2194 2190 0 #N 122, HB2 122, HN 122, 
1520 118.349   2.603   8.661 1 U         -1.335e+03  0.00e+00 m   0 2189 2195 2190 0 #N 122, HB3 122, HN 122, 
1521 120.429   7.804   7.804 1 U         -4.120e+04  0.00e+00 m   0 2200 2201 2201 0 #N 123, HN 123, HN 123, 
1522 120.429   3.966   7.804 1 U         -3.800e+03  0.00e+00 m   0 2200 2203 2201 0 #N 123, HA 123, HN 123, 
1523 120.429   1.609   7.804 1 U         -6.524e+03  0.00e+00 m   0 2200 2205 2201 0 #N 123, HB2 123, HN 123, 
1524 120.429   1.481   7.804 1 U         -4.487e+03  0.00e+00 m   0 2200 2206 2201 0 #N 123, HB3 123, HN 123, 
1525 120.429   1.305   7.804 1 U         -1.395e+03  0.00e+00 m   0 2200 2209 2201 0 #N 123, HG 123, HN 123, 
1526 120.429   0.352   7.804 1 U         -9.080e+02  0.00e+00 m   0 2200 2210 2201 0 #N 123, QD1 123, HN 123, 
1527 120.429   0.408   7.804 1 U         -7.450e+02  0.00e+00 m   0 2200 2211 2201 0 #N 123, QD2 123, HN 123, 
1528 117.929   7.964   7.964 1 U         -5.122e+04  0.00e+00 m   0 2222 2223 2223 0 #N 124, HN 124, HN 124, 
1529 117.929   3.515   7.964 1 U         -3.539e+03  0.00e+00 m   0 2222 2225 2223 0 #N 124, HA 124, HN 124, 
1530 117.929   1.918   7.964 1 U         -6.853e+03  0.00e+00 m   0 2222 2227 2223 0 #N 124, HB 124, HN 124, 
1531 117.929   0.817   7.964 1 U         -4.522e+03  0.00e+00 m   0 2222 2228 2223 0 #N 124, QG2 124, HN 124, 
1532 117.929   1.211   7.964 1 U         -3.028e+03  0.00e+00 m   0 2222 2234 2223 0 #N 124, HG12 124, HN 124, 
1533 117.929   1.240   7.964 1 U         -3.908e+03  0.00e+00 m   0 2222 2235 2223 0 #N 124, HG13 124, HN 124, 
1534 117.929   0.528   7.964 1 U         -1.247e+03  0.00e+00 m   0 2222 2237 2223 0 #N 124, QD1 124, HN 124, 
1535 119.201   7.799   7.799 1 U         -5.954e+04  0.00e+00 m   0 2243 2244 2244 0 #N 125, HN 125, HN 125, 
1536 119.201   4.164   7.799 1 U         -6.419e+03  0.00e+00 m   0 2243 2246 2244 0 #N 125, HA 125, HN 125, 
1537 119.201   1.886   7.799 1 U         -1.380e+04  0.00e+00 m   0 2243 2248 2244 0 #N 125, HB2 125, HN 125, 
1538 119.201   1.878   7.799 1 U         -1.380e+04  0.00e+00 m   0 2243 2249 2244 0 #N 125, HB3 125, HN 125, 
1539 119.201   2.153   7.799 1 U         -2.976e+03  0.00e+00 m   0 2243 2252 2244 0 #N 125, HG2 125, HN 125, 
1540 119.201   2.153   7.799 1 U         -2.976e+03  0.00e+00 m   0 2243 2253 2244 0 #N 125, HG3 125, HN 125, 
1541 118.712   8.287   8.287 1 U         -3.573e+03  0.00e+00 m   0 2258 2259 2259 0 #N 126, HN 126, HN 126, 
1542 118.712   4.133   8.287 1 U         -9.000e+00  0.00e+00 m   0 2258 2261 2259 0 #N 126, HA 126, HN 126, 
1543 118.712   1.790   8.287 1 U         -2.420e+02  0.00e+00 m   0 2258 2263 2259 0 #N 126, HB2 126, HN 126, 
1544 118.712   1.780   8.287 1 U         -1.120e+02  0.00e+00 m   0 2258 2264 2259 0 #N 126, HB3 126, HN 126, 
1545 118.712   1.380   8.287 1 U          1.070e+02  0.00e+00 m   0 2258 2267 2259 0 #N 126, HG2 126, HN 126, 
1546 118.712   1.370   8.287 1 U          1.830e+02  0.00e+00 m   0 2258 2268 2259 0 #N 126, HG3 126, HN 126, 
1547 118.712   1.610   8.287 1 U         -1.890e+02  0.00e+00 m   0 2258 2271 2259 0 #N 126, HD2 126, HN 126, 
1548 118.712   1.610   8.287 1 U         -1.890e+02  0.00e+00 m   0 2258 2272 2259 0 #N 126, HD3 126, HN 126, 
1549 118.712   2.930   8.287 1 U          2.910e+02  0.00e+00 m   0 2258 2275 2259 0 #N 126, HE2 126, HN 126, 
1550 118.712   2.930   8.287 1 U          2.910e+02  0.00e+00 m   0 2258 2276 2259 0 #N 126, HE3 126, HN 126, 
1551 123.919   7.835   7.835 1 U         -7.942e+03  0.00e+00 m   0 2283 2284 2284 0 #N 127, HN 127, HN 127, 
1552 123.919   4.289   7.835 1 U         -2.900e+01  0.00e+00 m   0 2283 2286 2284 0 #N 127, HA 127, HN 127, 
1553 123.919   1.800   7.835 1 U         -9.800e+01  0.00e+00 m   0 2283 2288 2284 0 #N 127, HB 127, HN 127, 
1554 123.919   0.800   7.835 1 U          5.800e+01  0.00e+00 m   0 2283 2289 2284 0 #N 127, QG2 127, HN 127, 
1555 123.919   1.300   7.835 1 U         -3.700e+01  0.00e+00 m   0 2283 2295 2284 0 #N 127, HG12 127, HN 127, 
1556 123.919   1.240   7.835 1 U          3.000e+01  0.00e+00 m   0 2283 2296 2284 0 #N 127, HG13 127, HN 127, 
1557 123.919   0.700   7.835 1 U          1.130e+02  0.00e+00 m   0 2283 2298 2284 0 #N 127, QD1 127, HN 127, 
1558 120.408   7.979   7.979 1 U         -3.590e+04  0.00e+00 m   0 2304 2305 2305 0 #N 128, HN 128, HN 128, 
1559 120.408   3.887   7.979 1 U         -3.579e+03  0.00e+00 m   0 2304 2307 2305 0 #N 128, HA 128, HN 128, 
1560 120.408   1.630   7.979 1 U         -1.740e+02  0.00e+00 m   0 2304 2309 2305 0 #N 128, HB2 128, HN 128, 
1561 120.408   1.570   7.979 1 U         -3.720e+02  0.00e+00 m   0 2304 2310 2305 0 #N 128, HB3 128, HN 128, 
1562 120.408   1.540   7.979 1 U         -3.980e+02  0.00e+00 m   0 2304 2313 2305 0 #N 128, HG 128, HN 128, 
1563 120.408   0.770   7.979 1 U         -4.050e+02  0.00e+00 m   0 2304 2314 2305 0 #N 128, QD1 128, HN 128, 
1564 120.408   0.760   7.979 1 U         -1.219e+03  0.00e+00 m   0 2304 2315 2305 0 #N 128, QD2 128, HN 128, 
1565 116.533   7.705   7.705 1 U         -1.747e+04  0.00e+00 m   0 2392 2393 2393 0 #N 133, HN 133, HN 133, 
1566 116.533   4.209   7.705 1 U         -8.870e+02  0.00e+00 m   0 2392 2395 2393 0 #N 133, HA 133, HN 133, 
1567 116.533   3.120   7.705 1 U          3.410e+02  0.00e+00 m   0 2392 2397 2393 0 #N 133, HB2 133, HN 133, 
1568 116.533   3.110   7.705 1 U          3.410e+02  0.00e+00 m   0 2392 2398 2393 0 #N 133, HB3 133, HN 133, 
1569 116.533   7.080   7.705 1 U          3.350e+02  0.00e+00 m   0 2392 2406 2393 0 #N 133, HD2 133, HN 133, 
1570 119.802   8.204   8.204 1 U         -1.686e+03  0.00e+00 m   0 2409 2410 2410 0 #N 134, HN 134, HN 134, 
1571 119.802   4.740   8.204 1 U          1.500e+01  0.00e+00 m   0 2409 2412 2410 0 #N 134, HA 134, HN 134, 
1572 119.802   3.120   8.204 1 U         -6.100e+01  0.00e+00 m   0 2409 2414 2410 0 #N 134, HB2 134, HN 134, 
1573 119.802   3.110   8.204 1 U         -6.100e+01  0.00e+00 m   0 2409 2415 2410 0 #N 134, HB3 134, HN 134, 
1574 119.802   7.080   8.204 1 U         -8.600e+01  0.00e+00 m   0 2409 2423 2410 0 #N 134, HD2 134, HN 134, 
1575 125.736   7.954   7.954 1 U         -3.418e+04  0.00e+00 m   0 2426 2427 2427 0 #N 135, HN 135, HN 135, 
1576 125.736   4.422   7.954 1 U         -3.863e+03  0.00e+00 m   0 2426 2429 2427 0 #N 135, HA 135, HN 135, 
1577 125.736   3.120   7.954 1 U         -1.604e+03  0.00e+00 m   0 2426 2431 2427 0 #N 135, HB2 135, HN 135, 
1578 125.736   3.110   7.954 1 U         -1.604e+03  0.00e+00 m   0 2426 2432 2427 0 #N 135, HB3 135, HN 135, 
1579 125.736   7.080   7.954 1 U         -1.160e+02  0.00e+00 m   0 2426 2440 2427 0 #N 135, HD2 135, HN 135, 
1580 126.185   8.612   8.749 1 U         -7.870e+02  0.00e+00 m   0   66   88   67 0 #N 4, HN 5, HN 4, 
1581 126.007   9.451   8.612 1 U         -7.520e+02  0.00e+00 m   0   87  106   88 0 #N 5, HN 6, HN 5, 
1582 128.384   8.917   9.451 1 U         -1.005e+03  0.00e+00 m   0  105  127  106 0 #N 6, HN 7, HN 6, 
1583 128.657   8.176   8.917 1 U         -4.410e+02  0.00e+00 m   0  126  148  127 0 #N 7, HN 8, HN 7, 
1584 118.480   7.924   7.563 1 U         -2.207e+03  0.00e+00 m   0  351  373  352 0 #N 20, HN 21, HN 20, 
1585 118.732   7.837   7.924 1 U         -6.644e+03  0.00e+00 m   0  372  395  373 0 #N 21, HN 22, HN 21, 
1586 115.689   7.488   7.837 1 U         -3.658e+03  0.00e+00 m   0  394  420  395 0 #N 22, HN 23, HN 22, 
1587 118.722   7.938   7.488 1 U         -4.834e+03  0.00e+00 m   0  419  435  420 0 #N 23, HN 24, HN 23, 
1588 118.224   7.678   7.938 1 U         -1.211e+03  0.00e+00 m   0  434  456  435 0 #N 24, HN 25, HN 24, 
1589 109.751   8.622   7.678 1 U         -2.558e+03  0.00e+00 m   0  455  463  456 0 #N 25, HN 26, HN 25, 
1590 122.103   8.780   8.622 1 U         -1.672e+03  0.00e+00 m   0  462  481  463 0 #N 26, HN 27, HN 26, 
1591 117.259   7.864   8.780 1 U         -5.543e+03  0.00e+00 m   0  480  492  481 0 #N 27, HN 28, HN 27, 
1592 116.775   7.236   7.864 1 U         -3.044e+03  0.00e+00 m   0  491  518  492 0 #N 28, HN 29, HN 28, 
1593 117.380   8.603   7.236 1 U         -6.350e+02  0.00e+00 m   0  517  539  518 0 #N 29, HN 30, HN 29, 
1594 125.494   8.348   8.603 1 U         -5.730e+02  0.00e+00 m   0  538  557  539 0 #N 30, HN 31, HN 30, 
1595 126.099   8.925   8.348 1 U         -3.970e+02  0.00e+00 m   0  556  578  557 0 #N 31, HN 32, HN 31, 
1596 127.413   8.891   8.925 1 U         -9.135e+03  0.00e+00 m   0  577  599  578 0 #N 32, HN 33, HN 32, 
1597 118.833   7.245   8.891 1 U         -4.380e+02  0.00e+00 m   0  598  612  599 0 #N 33, HN 34, HN 33, 
1598 115.806   8.687   7.245 1 U         -5.616e+03  0.00e+00 m   0  611  622  612 0 #N 34, HN 35, HN 34, 
1599 118.431   7.493   8.096 1 U         -8.430e+03  0.00e+00 m   0  660  679  661 0 #N 37, HN 38, HN 37, 
1600 123.193   8.147   7.493 1 U         -5.294e+03  0.00e+00 m   0  678  701  679 0 #N 38, HN 39, HN 38, 
1601 121.376   7.978   8.147 1 U         -6.524e+03  0.00e+00 m   0  700  711  701 0 #N 39, HN 40, HN 39, 
1602 117.380   8.006   7.978 1 U         -5.328e+04  0.00e+00 m   0  710  726  711 0 #N 40, HN 41, HN 40, 
1603 121.850   8.700   8.006 1 U         -8.282e+03  0.00e+00 m   0  725  752  726 0 #N 41, HN 42, HN 41, 
1604 120.166   7.704   8.700 1 U         -5.439e+03  0.00e+00 m   0  751  762  752 0 #N 42, HN 43, HN 42, 
1605 119.439   7.787   7.704 1 U         -1.191e+04  0.00e+00 m   0  761  787  762 0 #N 43, HN 44, HN 43, 
1606 121.110   7.620   7.787 1 U         -9.260e+03  0.00e+00 m   0  786  802  787 0 #N 44, HN 45, HN 44, 
1607 118.591   7.509   7.620 1 U         -6.082e+03  0.00e+00 m   0  801  824  802 0 #N 45, HN 46, HN 45, 
1608 103.455   7.666   7.509 1 U         -1.083e+04  0.00e+00 m   0  823  831  824 0 #N 46, HN 47, HN 46, 
1609 120.622   8.452   7.666 1 U         -2.780e+02  0.00e+00 m   0  830  849  831 0 #N 47, HN 48, HN 47, 
1610 124.967   7.678   8.452 1 U         -6.990e+03  0.00e+00 m   0  848  860  849 0 #N 48, HN 49, HN 48, 
1611 119.056   7.509   7.678 1 U         -9.300e+02  0.00e+00 m   0  859  886  860 0 #N 49, HN 50, HN 49, 
1612 122.830   9.288   7.509 1 U         -3.770e+02  0.00e+00 m   0  885  907  886 0 #N 50, HN 51, HN 50, 
1613 126.705   8.523   9.288 1 U         -6.930e+02  0.00e+00 m   0  906  930  907 0 #N 51, HN 52, HN 51, 
1614 127.189   8.374   8.523 1 U         -1.022e+03  0.00e+00 m   0  929  952  930 0 #N 52, HN 53, HN 52, 
1615 126.240   8.586   8.374 1 U         -2.750e+02  0.00e+00 m   0  951  974  952 0 #N 53, HN 54, HN 53, 
1616 108.541   7.238   8.586 1 U         -5.360e+02  0.00e+00 m   0  973  987  974 0 #N 54, HN 55, HN 54, 
1617 121.861   8.746   7.238 1 U         -6.690e+02  0.00e+00 m   0  986  998  987 0 #N 55, HN 56, HN 55, 
1618 125.057   8.327   8.746 1 U         -4.027e+03  0.00e+00 m   0  997 1009  998 0 #N 56, HN 57, HN 56, 
1619 120.014   7.880   8.327 1 U         -7.646e+03  0.00e+00 m   0 1008 1024 1009 0 #N 57, HN 58, HN 57, 
1620 118.978   7.816   7.880 1 U         -6.596e+03  0.00e+00 m   0 1023 1046 1024 0 #N 58, HN 59, HN 58, 
1621 118.512   8.347   7.816 1 U         -1.903e+03  0.00e+00 m   0 1045 1067 1046 0 #N 59, HN 60, HN 59, 
1622 120.189   7.773   8.347 1 U         -5.134e+03  0.00e+00 m   0 1066 1077 1067 0 #N 60, HN 61, HN 60, 
1623 116.048   8.010   7.773 1 U         -8.226e+03  0.00e+00 m   0 1076 1092 1077 0 #N 61, HN 62, HN 61, 
1624 121.740   7.977   8.010 1 U         -2.658e+04  0.00e+00 m   0 1091 1113 1092 0 #N 62, HN 63, HN 62, 
1625 119.318   7.843   7.977 1 U         -4.448e+03  0.00e+00 m   0 1112 1131 1113 0 #N 63, HN 64, HN 63, 
1626 118.712   8.435   7.843 1 U         -4.828e+03  0.00e+00 m   0 1130 1156 1131 0 #N 64, HN 65, HN 64, 
1627 121.376   8.203   8.435 1 U         -4.664e+03  0.00e+00 m   0 1155 1181 1156 0 #N 65, HN 66, HN 65, 
1628 117.017   7.840   8.203 1 U         -7.373e+03  0.00e+00 m   0 1180 1203 1181 0 #N 66, HN 67, HN 66, 
1629 106.361   6.758   7.840 1 U         -7.021e+03  0.00e+00 m   0 1202 1210 1203 0 #N 67, HN 68, HN 67, 
1630 118.591   8.861   6.758 1 U         -7.490e+02  0.00e+00 m   0 1209 1220 1210 0 #N 68, HN 69, HN 68, 
1631 117.017   7.394   8.861 1 U         -3.539e+03  0.00e+00 m   0 1219 1231 1220 0 #N 69, HN 70, HN 69, 
1632 118.228   9.040   7.394 1 U         -1.170e+02  0.00e+00 m   0 1230 1252 1231 0 #N 70, HN 71, HN 70, 
1633 125.933   9.511   9.040 1 U         -4.030e+02  0.00e+00 m   0 1251 1270 1252 0 #N 71, HN 72, HN 71, 
1634 126.725   7.926   9.511 1 U         -2.570e+02  0.00e+00 m   0 1269 1293 1270 0 #N 72, HN 73, HN 72, 
1635 125.756   8.084   9.304 1 U         -9.330e+02  0.00e+00 m   0 1317 1332 1318 0 #N 75, HN 76, HN 75, 
1636 120.008   8.017   8.084 1 U         -2.238e+03  0.00e+00 m   0 1331 1358 1332 0 #N 76, HN 77, HN 76, 
1637 119.681   8.299   8.017 1 U         -7.748e+03  0.00e+00 m   0 1357 1369 1358 0 #N 77, HN 78, HN 77, 
1638 119.923   7.699   8.299 1 U         -6.323e+03  0.00e+00 m   0 1368 1390 1369 0 #N 78, HN 79, HN 78, 
1639 120.650   7.996   7.699 1 U         -4.720e+03  0.00e+00 m   0 1389 1400 1390 0 #N 79, HN 80, HN 79, 
1640 114.474   7.634   7.996 1 U         -4.186e+03  0.00e+00 m   0 1399 1425 1400 0 #N 80, HN 81, HN 80, 
1641 117.986   8.162   7.634 1 U         -6.781e+03  0.00e+00 m   0 1424 1450 1425 0 #N 81, HN 82, HN 81, 
1642 117.623   8.030   8.162 1 U         -6.242e+03  0.00e+00 m   0 1449 1471 1450 0 #N 82, HN 83, HN 82, 
1643 118.228   7.399   8.030 1 U         -3.516e+03  0.00e+00 m   0 1470 1492 1471 0 #N 83, HN 84, HN 83, 
1644 117.380   7.438   7.399 1 U         -2.291e+04  0.00e+00 m   0 1491 1518 1492 0 #N 84, HN 85, HN 84, 
1645 117.138   8.303   7.438 1 U         -1.345e+04  0.00e+00 m   0 1517 1543 1518 0 #N 85, HN 86, HN 85, 
1646 121.134   8.134   8.303 1 U         -1.752e+03  0.00e+00 m   0 1542 1565 1543 0 #N 86, HN 87, HN 86, 
1647 119.318   8.756   8.134 1 U         -5.360e+02  0.00e+00 m   0 1564 1590 1565 0 #N 87, HN 88, HN 87, 
1648 115.443   7.269   8.756 1 U         -2.394e+03  0.00e+00 m   0 1589 1604 1590 0 #N 88, HN 89, HN 88, 
1649 119.318   7.855   7.269 1 U         -7.190e+02  0.00e+00 m   0 1603 1625 1604 0 #N 89, HN 90, HN 89, 
1650 124.888   8.816   7.855 1 U         -6.100e+01  0.00e+00 m   0 1624 1646 1625 0 #N 90, HN 91, HN 90, 
1651 126.510   9.298   8.816 1 U         -3.170e+02  0.00e+00 m   0 1645 1667 1646 0 #N 91, HN 92, HN 91, 
1652 126.012   8.266   9.298 1 U         -3.330e+02  0.00e+00 m   0 1666 1689 1667 0 #N 92, HN 93, HN 92, 
1653 110.720   8.139   8.266 1 U         -9.030e+02  0.00e+00 m   0 1688 1699 1689 0 #N 93, HN 94, HN 93, 
1654 122.365   8.131   8.139 1 U         -1.212e+04  0.00e+00 m   0 1698 1713 1699 0 #N 94, HN 95, HN 94, 
1655 121.561   8.953   8.131 1 U         -4.170e+02  0.00e+00 m   0 1712 1724 1713 0 #N 95, HN 96, HN 95, 
1656 126.341   8.189   8.953 1 U         -3.817e+03  0.00e+00 m   0 1723 1739 1724 0 #N 96, HN 97, HN 96, 
1657 118.228   7.730   8.189 1 U         -1.192e+04  0.00e+00 m   0 1738 1757 1739 0 #N 97, HN 98, HN 97, 
1658 122.830   7.869   7.730 1 U         -5.527e+03  0.00e+00 m   0 1756 1779 1757 0 #N 98, HN 99, HN 98, 
1659 118.228   7.696   7.869 1 U         -5.768e+03  0.00e+00 m   0 1778 1797 1779 0 #N 99, HN 100, HN 99, 
1660 117.259   8.049   7.696 1 U         -8.078e+03  0.00e+00 m   0 1796 1822 1797 0 #N 100, HN 101, HN 100, 
1661 119.318   8.625   8.049 1 U         -5.953e+03  0.00e+00 m   0 1821 1837 1822 0 #N 101, HN 102, HN 101, 
1662 119.318   8.167   8.625 1 U         -5.495e+03  0.00e+00 m   0 1836 1859 1837 0 #N 102, HN 103, HN 102, 
1663 117.017   7.369   8.167 1 U         -4.368e+03  0.00e+00 m   0 1858 1877 1859 0 #N 103, HN 104, HN 103, 
1664 116.654   7.521   7.369 1 U         -6.194e+03  0.00e+00 m   0 1876 1902 1877 0 #N 104, HN 105, HN 104, 
1665 116.896   7.971   7.521 1 U         -6.050e+03  0.00e+00 m   0 1901 1917 1902 0 #N 105, HN 106, HN 105, 
1666 119.197   7.750   8.540 1 U         -2.033e+03  0.00e+00 m   0 1936 1948 1937 0 #N 108, HN 109, HN 108, 
1667 122.103   8.435   7.750 1 U         -1.556e+03  0.00e+00 m   0 1947 1958 1948 0 #N 109, HN 110, HN 109, 
1668 121.611   7.308   8.435 1 U         -5.090e+02  0.00e+00 m   0 1957 1984 1958 0 #N 110, HN 111, HN 110, 
1669 120.232   8.924   7.308 1 U         -3.340e+02  0.00e+00 m   0 1983 2002 1984 0 #N 111, HN 112, HN 111, 
1670 123.092   8.938   8.924 1 U         -1.591e+04  0.00e+00 m   0 2001 2025 2002 0 #N 112, HN 113, HN 112, 
1671 120.428   8.545   8.938 1 U         -7.630e+02  0.00e+00 m   0 2024 2039 2025 0 #N 113, HN 114, HN 113, 
1672 122.607   9.249   8.545 1 U         -3.650e+02  0.00e+00 m   0 2038 2057 2039 0 #N 114, HN 115, HN 114, 
1673 120.642   8.066   9.249 1 U         -2.900e+03  0.00e+00 m   0 2056 2075 2057 0 #N 115, HN 116, HN 115, 
1674 119.027   7.970   8.287 1 U         -3.028e+03  0.00e+00 m   0 2112 2131 2113 0 #N 118, HN 119, HN 118, 
1675 118.732   7.865   7.970 1 U         -7.510e+03  0.00e+00 m   0 2130 2142 2131 0 #N 119, HN 120, HN 119, 
1676 119.701   8.155   7.865 1 U         -2.053e+03  0.00e+00 m   0 2141 2165 2142 0 #N 120, HN 121, HN 120, 
1677 118.543   8.661   8.155 1 U         -2.019e+03  0.00e+00 m   0 2164 2190 2165 0 #N 121, HN 122, HN 121, 
1678 118.349   7.804   8.661 1 U         -1.325e+03  0.00e+00 m   0 2189 2201 2190 0 #N 122, HN 123, HN 122, 
1679 120.429   7.964   7.804 1 U         -5.158e+03  0.00e+00 m   0 2200 2223 2201 0 #N 123, HN 124, HN 123, 
1680 117.929   7.799   7.964 1 U         -2.022e+03  0.00e+00 m   0 2222 2244 2223 0 #N 124, HN 125, HN 124, 
1681 119.201   8.287   7.799 1 U         -4.010e+03  0.00e+00 m   0 2243 2259 2244 0 #N 125, HN 126, HN 125, 
1682 118.712   7.835   8.287 1 U          1.530e+02  0.00e+00 m   0 2258 2284 2259 0 #N 126, HN 127, HN 126, 
1683 123.919   7.979   7.835 1 U          3.024e+03  0.00e+00 m   0 2283 2305 2284 0 #N 127, HN 128, HN 127, 
1684 116.533   8.204   7.705 1 U          4.000e+01  0.00e+00 m   0 2392 2410 2393 0 #N 133, HN 134, HN 133, 
1685 119.802   7.954   8.204 1 U         -2.180e+02  0.00e+00 m   0 2409 2427 2410 0 #N 134, HN 135, HN 134, 
1687 999.000   7.563 999.000 3 U          1.580e+02  0.00e+00 m   0  312  352  313 0 #N 18, HN 20, HN 18, 
1688 999.000   4.390 999.000 3 U         -1.090e+02  0.00e+00 m   0  336  297  337 0 #N 19, HA 17, HN 19, 
1689 999.000   7.535 999.000 3 U          9.600e+01  0.00e+00 m   0  336  295  337 0 #N 19, HN 17, HN 19, 
1690 999.000   7.924 999.000 3 U          1.780e+02  0.00e+00 m   0  336  373  337 0 #N 19, HN 21, HN 19, 
1691 118.480   4.290   7.563 3 U         -2.620e+02  0.00e+00 m   0  351  315  352 0 #N 20, HA 18, HN 20, 
1693 118.480   4.390   7.563 3 U         -1.340e+02  0.00e+00 m   0  351  297  352 0 #N 20, HA 17, HN 20, 
1694 118.480   7.837   7.563 3 U         -1.317e+03  0.00e+00 m   0  351  395  352 0 #N 20, HN 22, HN 20, 
1695 118.732   3.918   7.924 3 U         -3.910e+02  0.00e+00 m   0  372  339  373 0 #N 21, HA 19, HN 21, 
1697 118.732   4.290   7.924 3 U         -7.490e+02  0.00e+00 m   0  372  315  373 0 #N 21, HA 18, HN 21, 
1698 118.732   4.390   7.924 3 U         -1.980e+02  0.00e+00 m   0  372  297  373 0 #N 21, HA 17, HN 21, 
1699 118.732   7.488   7.924 3 U         -1.910e+02  0.00e+00 m   0  372  420  373 0 #N 21, HN 23, HN 21, 
1700 115.689   3.712   7.837 3 U         -2.150e+03  0.00e+00 m   0  394  354  395 0 #N 22, HA 20, HN 22, 
1701 115.689   7.563   7.837 3 U         -8.050e+02  0.00e+00 m   0  394  352  395 0 #N 22, HN 20, HN 22, 
1702 115.689   3.918   7.837 3 U         -1.568e+03  0.00e+00 m   0  394  339  395 0 #N 22, HA 19, HN 22, 
1703 115.689   4.290   7.837 3 U         -5.500e+02  0.00e+00 m   0  394  315  395 0 #N 22, HA 18, HN 22, 
1704 115.689   7.938   7.837 3 U         -3.470e+03  0.00e+00 m   0  394  435  395 0 #N 22, HN 24, HN 22, 
1705 118.722   3.703   7.488 3 U         -1.971e+03  0.00e+00 m   0  419  375  420 0 #N 23, HA 21, HN 23, 
1706 118.722   7.924   7.488 3 U         -5.206e+03  0.00e+00 m   0  419  373  420 0 #N 23, HN 21, HN 23, 
1707 118.722   3.712   7.488 3 U         -1.971e+03  0.00e+00 m   0  419  354  420 0 #N 23, HA 20, HN 23, 
1708 118.722   3.918   7.488 3 U         -1.403e+03  0.00e+00 m   0  419  339  420 0 #N 23, HA 19, HN 23, 
1709 118.224   3.774   7.938 3 U         -2.420e+02  0.00e+00 m   0  434  397  435 0 #N 24, HA 22, HN 24, 
1710 118.224   7.837   7.938 3 U         -6.267e+03  0.00e+00 m   0  434  395  435 0 #N 24, HN 22, HN 24, 
1711 118.224   3.703   7.938 3 U         -1.079e+03  0.00e+00 m   0  434  375  435 0 #N 24, HA 21, HN 24, 
1712 118.224   3.712   7.938 3 U         -1.079e+03  0.00e+00 m   0  434  354  435 0 #N 24, HA 20, HN 24, 
1713 999.000   7.493 999.000 3 U         -1.660e+02  0.00e+00 m   0  635  679  636 0 #N 36, HN 38, HN 36, 
1714 118.431   8.147   8.096 3 U         -3.740e+04  0.00e+00 m   0  660  701  661 0 #N 37, HN 39, HN 37, 
1715 123.193   3.897   7.493 3 U         -4.490e+02  0.00e+00 m   0  678  638  679 0 #N 38, HA 36, HN 38, 
1717 123.193   7.978   7.493 3 U         -9.430e+02  0.00e+00 m   0  678  711  679 0 #N 38, HN 40, HN 38, 
1718 121.376   4.142   8.147 3 U         -7.150e+02  0.00e+00 m   0  700  663  701 0 #N 39, HA 37, HN 39, 
1719 121.376   8.096   8.147 3 U         -5.519e+03  0.00e+00 m   0  700  661  701 0 #N 39, HN 37, HN 39, 
1720 121.376   3.897   8.147 3 U         -3.462e+03  0.00e+00 m   0  700  638  701 0 #N 39, HA 36, HN 39, 
1721 121.376   8.006   8.147 3 U         -5.969e+03  0.00e+00 m   0  700  726  701 0 #N 39, HN 41, HN 39, 
1722 117.380   4.064   7.978 3 U         -1.148e+03  0.00e+00 m   0  710  681  711 0 #N 40, HA 38, HN 40, 
1723 117.380   7.493   7.978 3 U         -5.880e+02  0.00e+00 m   0  710  679  711 0 #N 40, HN 38, HN 40, 
1724 117.380   4.142   7.978 3 U         -3.418e+03  0.00e+00 m   0  710  663  711 0 #N 40, HA 37, HN 40, 
1725 117.380   3.897   7.978 3 U         -1.247e+03  0.00e+00 m   0  710  638  711 0 #N 40, HA 36, HN 40, 
1726 117.380   8.700   7.978 3 U         -1.185e+03  0.00e+00 m   0  710  752  711 0 #N 40, HN 42, HN 40, 
1727 121.850   3.808   8.006 3 U         -1.072e+03  0.00e+00 m   0  725  703  726 0 #N 41, HA 39, HN 41, 
1728 121.850   8.147   8.006 3 U         -2.167e+03  0.00e+00 m   0  725  701  726 0 #N 41, HN 39, HN 41, 
1729 121.850   4.064   8.006 3 U         -7.385e+03  0.00e+00 m   0  725  681  726 0 #N 41, HA 38, HN 41, 
1730 121.850   4.142   8.006 3 U         -1.409e+03  0.00e+00 m   0  725  663  726 0 #N 41, HA 37, HN 41, 
1731 121.850   7.704   8.006 3 U         -1.129e+03  0.00e+00 m   0  725  762  726 0 #N 41, HN 43, HN 41, 
1732 120.166   3.966   8.700 3 U         -9.500e+02  0.00e+00 m   0  751  713  752 0 #N 42, HA 40, HN 42, 
1733 120.166   7.978   8.700 3 U         -4.181e+03  0.00e+00 m   0  751  711  752 0 #N 42, HN 40, HN 42, 
1734 120.166   3.808   8.700 3 U         -6.837e+03  0.00e+00 m   0  751  703  752 0 #N 42, HA 39, HN 42, 
1735 120.166   4.064   8.700 3 U         -2.490e+03  0.00e+00 m   0  751  681  752 0 #N 42, HA 38, HN 42, 
1736 120.166   7.787   8.700 3 U         -1.045e+03  0.00e+00 m   0  751  787  752 0 #N 42, HN 44, HN 42, 
1737 119.439   4.042   7.704 3 U         -1.315e+03  0.00e+00 m   0  761  728  762 0 #N 43, HA 41, HN 43, 
1738 119.439   8.006   7.704 3 U         -1.490e+03  0.00e+00 m   0  761  726  762 0 #N 43, HN 41, HN 43, 
1739 119.439   3.966   7.704 3 U         -3.931e+03  0.00e+00 m   0  761  713  762 0 #N 43, HA 40, HN 43, 
1740 119.439   3.808   7.704 3 U         -2.791e+03  0.00e+00 m   0  761  703  762 0 #N 43, HA 39, HN 43, 
1741 119.439   7.620   7.704 3 U         -4.232e+03  0.00e+00 m   0  761  802  762 0 #N 43, HN 45, HN 43, 
1742 121.110   3.801   7.787 3 U         -7.980e+02  0.00e+00 m   0  786  754  787 0 #N 44, HA 42, HN 44, 
1743 121.110   8.700   7.787 3 U         -1.227e+03  0.00e+00 m   0  786  752  787 0 #N 44, HN 42, HN 44, 
1744 121.110   4.042   7.787 3 U         -5.359e+03  0.00e+00 m   0  786  728  787 0 #N 44, HA 41, HN 44, 
1745 121.110   3.966   7.787 3 U         -7.896e+03  0.00e+00 m   0  786  713  787 0 #N 44, HA 40, HN 44, 
1746 118.591   4.211   7.620 3 U         -7.430e+02  0.00e+00 m   0  801  764  802 0 #N 45, HA 43, HN 45, 
1747 118.591   7.704   7.620 3 U         -2.634e+03  0.00e+00 m   0  801  762  802 0 #N 45, HN 43, HN 45, 
1748 118.591   3.801   7.620 3 U         -2.243e+03  0.00e+00 m   0  801  754  802 0 #N 45, HA 42, HN 45, 
1749 118.591   4.042   7.620 3 U         -1.886e+03  0.00e+00 m   0  801  728  802 0 #N 45, HA 41, HN 45, 
1750 125.057   7.880   8.746 3 U         -6.610e+02  0.00e+00 m   0  997 1024  998 0 #N 56, HN 58, HN 56, 
1751 120.014   7.816   8.327 3 U         -2.110e+03  0.00e+00 m   0 1008 1046 1009 0 #N 57, HN 59, HN 57, 
1752 118.978   4.147   7.880 3 U         -1.049e+03  0.00e+00 m   0 1023 1000 1024 0 #N 58, HA 56, HN 58, 
1753 118.978   8.746   7.880 3 U         -7.790e+02  0.00e+00 m   0 1023  998 1024 0 #N 58, HN 56, HN 58, 
1754 118.978   8.347   7.880 3 U         -4.283e+03  0.00e+00 m   0 1023 1067 1024 0 #N 58, HN 60, HN 58, 
1755 118.512   4.059   7.816 3 U         -3.690e+02  0.00e+00 m   0 1045 1011 1046 0 #N 59, HA 57, HN 59, 
1756 118.512   8.327   7.816 3 U         -2.033e+03  0.00e+00 m   0 1045 1009 1046 0 #N 59, HN 57, HN 59, 
1757 118.512   4.147   7.816 3 U         -7.160e+02  0.00e+00 m   0 1045 1000 1046 0 #N 59, HA 56, HN 59, 
1758 118.512   7.773   7.816 3 U         -9.669e+03  0.00e+00 m   0 1045 1077 1046 0 #N 59, HN 61, HN 59, 
1759 120.189   4.234   8.347 3 U         -1.766e+03  0.00e+00 m   0 1066 1026 1067 0 #N 60, HA 58, HN 60, 
1760 120.189   7.880   8.347 3 U         -2.574e+03  0.00e+00 m   0 1066 1024 1067 0 #N 60, HN 58, HN 60, 
1761 120.189   4.059   8.347 3 U         -2.113e+03  0.00e+00 m   0 1066 1011 1067 0 #N 60, HA 57, HN 60, 
1762 120.189   4.147   8.347 3 U         -9.750e+02  0.00e+00 m   0 1066 1000 1067 0 #N 60, HA 56, HN 60, 
1763 120.189   8.010   8.347 3 U         -8.170e+02  0.00e+00 m   0 1066 1092 1067 0 #N 60, HN 62, HN 60, 
1764 116.048   3.337   7.773 3 U         -5.450e+02  0.00e+00 m   0 1076 1048 1077 0 #N 61, HA 59, HN 61, 
1765 116.048   7.816   7.773 3 U         -2.881e+04  0.00e+00 m   0 1076 1046 1077 0 #N 61, HN 59, HN 61, 
1766 116.048   4.234   7.773 3 U         -3.273e+03  0.00e+00 m   0 1076 1026 1077 0 #N 61, HA 58, HN 61, 
1767 116.048   4.059   7.773 3 U         -1.688e+03  0.00e+00 m   0 1076 1011 1077 0 #N 61, HA 57, HN 61, 
1768 116.048   7.977   7.773 3 U         -5.752e+03  0.00e+00 m   0 1076 1113 1077 0 #N 61, HN 63, HN 61, 
1769 121.740   3.744   8.010 3 U         -2.530e+02  0.00e+00 m   0 1091 1069 1092 0 #N 62, HA 60, HN 62, 
1770 121.740   8.347   8.010 3 U         -3.610e+02  0.00e+00 m   0 1091 1067 1092 0 #N 62, HN 60, HN 62, 
1771 121.740   3.337   8.010 3 U         -9.620e+02  0.00e+00 m   0 1091 1048 1092 0 #N 62, HA 59, HN 62, 
1772 121.740   4.234   8.010 3 U         -5.290e+02  0.00e+00 m   0 1091 1026 1092 0 #N 62, HA 58, HN 62, 
1773 121.740   7.843   8.010 3 U         -7.970e+02  0.00e+00 m   0 1091 1131 1092 0 #N 62, HN 64, HN 62, 
1774 119.318   4.000   7.977 3 U         -1.506e+03  0.00e+00 m   0 1112 1079 1113 0 #N 63, HA 61, HN 63, 
1775 119.318   7.773   7.977 3 U         -1.666e+03  0.00e+00 m   0 1112 1077 1113 0 #N 63, HN 61, HN 63, 
1776 119.318   3.744   7.977 3 U         -1.860e+03  0.00e+00 m   0 1112 1069 1113 0 #N 63, HA 60, HN 63, 
1777 119.318   3.337   7.977 3 U         -9.890e+02  0.00e+00 m   0 1112 1048 1113 0 #N 63, HA 59, HN 63, 
1778 119.318   8.435   7.977 3 U         -6.830e+02  0.00e+00 m   0 1112 1156 1113 0 #N 63, HN 65, HN 63, 
1779 118.712   3.616   7.843 3 U         -2.130e+02  0.00e+00 m   0 1130 1094 1131 0 #N 64, HA 62, HN 64, 
1780 118.712   8.010   7.843 3 U         -4.158e+03  0.00e+00 m   0 1130 1092 1131 0 #N 64, HN 62, HN 64, 
1781 118.712   4.000   7.843 3 U         -7.248e+03  0.00e+00 m   0 1130 1079 1131 0 #N 64, HA 61, HN 64, 
1782 118.712   3.744   7.843 3 U         -7.480e+02  0.00e+00 m   0 1130 1069 1131 0 #N 64, HA 60, HN 64, 
1783 118.712   8.203   7.843 3 U         -6.020e+02  0.00e+00 m   0 1130 1181 1131 0 #N 64, HN 66, HN 64, 
1784 121.376   3.241   8.435 3 U         -6.930e+02  0.00e+00 m   0 1155 1115 1156 0 #N 65, HA 63, HN 65, 
1785 121.376   7.977   8.435 3 U         -7.610e+02  0.00e+00 m   0 1155 1113 1156 0 #N 65, HN 63, HN 65, 
1786 121.376   3.616   8.435 3 U         -2.546e+03  0.00e+00 m   0 1155 1094 1156 0 #N 65, HA 62, HN 65, 
1787 121.376   4.000   8.435 3 U         -8.146e+03  0.00e+00 m   0 1155 1079 1156 0 #N 65, HA 61, HN 65, 
1788 117.017   4.025   8.203 3 U         -4.243e+03  0.00e+00 m   0 1180 1133 1181 0 #N 66, HA 64, HN 66, 
1789 117.017   7.843   8.203 3 U         -7.373e+03  0.00e+00 m   0 1180 1131 1181 0 #N 66, HN 64, HN 66, 
1790 117.017   3.241   8.203 3 U         -1.783e+03  0.00e+00 m   0 1180 1115 1181 0 #N 66, HA 63, HN 66, 
1791 117.017   3.616   8.203 3 U         -1.123e+03  0.00e+00 m   0 1180 1094 1181 0 #N 66, HA 62, HN 66, 
1792 120.008   8.299   8.084 3 U         -4.120e+02  0.00e+00 m   0 1331 1369 1332 0 #N 76, HN 78, HN 76, 
1793 119.681   7.699   8.017 3 U         -1.546e+03  0.00e+00 m   0 1357 1390 1358 0 #N 77, HN 79, HN 77, 
1794 119.923   3.890   8.299 3 U         -2.480e+02  0.00e+00 m   0 1368 1334 1369 0 #N 78, HA 76, HN 78, 
1795 119.923   8.084   8.299 3 U         -2.460e+02  0.00e+00 m   0 1368 1332 1369 0 #N 78, HN 76, HN 78, 
1796 119.923   7.996   8.299 3 U         -6.861e+03  0.00e+00 m   0 1368 1400 1369 0 #N 78, HN 80, HN 78, 
1797 120.650   4.366   7.699 3 U         -1.721e+03  0.00e+00 m   0 1389 1360 1390 0 #N 79, HA 77, HN 79, 
1798 120.650   8.017   7.699 3 U         -3.902e+03  0.00e+00 m   0 1389 1358 1390 0 #N 79, HN 77, HN 79, 
1799 120.650   3.890   7.699 3 U         -1.075e+03  0.00e+00 m   0 1389 1334 1390 0 #N 79, HA 76, HN 79, 
1800 120.650   7.634   7.699 3 U         -1.065e+04  0.00e+00 m   0 1389 1425 1390 0 #N 79, HN 81, HN 79, 
1801 114.474   3.607   7.996 3 U         -1.600e+01  0.00e+00 m   0 1399 1371 1400 0 #N 80, HA 78, HN 80, 
1802 114.474   8.299   7.996 3 U         -6.930e+02  0.00e+00 m   0 1399 1369 1400 0 #N 80, HN 78, HN 80, 
1803 114.474   4.366   7.996 3 U         -1.510e+03  0.00e+00 m   0 1399 1360 1400 0 #N 80, HA 77, HN 80, 
1804 114.474   3.890   7.996 3 U         -4.630e+02  0.00e+00 m   0 1399 1334 1400 0 #N 80, HA 76, HN 80, 
1805 114.474   8.162   7.996 3 U         -7.220e+02  0.00e+00 m   0 1399 1450 1400 0 #N 80, HN 82, HN 80, 
1806 117.986   3.783   7.634 3 U         -3.052e+03  0.00e+00 m   0 1424 1392 1425 0 #N 81, HA 79, HN 81, 
1807 117.986   7.699   7.634 3 U         -5.913e+03  0.00e+00 m   0 1424 1390 1425 0 #N 81, HN 79, HN 81, 
1808 117.986   3.607   7.634 3 U         -3.345e+03  0.00e+00 m   0 1424 1371 1425 0 #N 81, HA 78, HN 81, 
1809 117.986   4.366   7.634 3 U         -7.280e+02  0.00e+00 m   0 1424 1360 1425 0 #N 81, HA 77, HN 81, 
1810 117.986   8.030   7.634 3 U         -3.942e+03  0.00e+00 m   0 1424 1471 1425 0 #N 81, HN 83, HN 81, 
1811 117.623   3.790   8.162 3 U         -2.602e+03  0.00e+00 m   0 1449 1402 1450 0 #N 82, HA 80, HN 82, 
1812 117.623   7.996   8.162 3 U         -4.772e+03  0.00e+00 m   0 1449 1400 1450 0 #N 82, HN 80, HN 82, 
1813 117.623   3.783   8.162 3 U         -2.602e+03  0.00e+00 m   0 1449 1392 1450 0 #N 82, HA 79, HN 82, 
1814 117.623   3.607   8.162 3 U         -4.419e+03  0.00e+00 m   0 1449 1371 1450 0 #N 82, HA 78, HN 82, 
1815 117.623   7.399   8.162 3 U         -8.940e+02  0.00e+00 m   0 1449 1492 1450 0 #N 82, HN 84, HN 82, 
1816 118.228   3.958   8.030 3 U         -3.261e+03  0.00e+00 m   0 1470 1427 1471 0 #N 83, HA 81, HN 83, 
1817 118.228   7.634   8.030 3 U         -4.130e+02  0.00e+00 m   0 1470 1425 1471 0 #N 83, HN 81, HN 83, 
1818 118.228   3.790   8.030 3 U         -1.719e+03  0.00e+00 m   0 1470 1402 1471 0 #N 83, HA 80, HN 83, 
1819 118.228   3.783   8.030 3 U         -1.719e+03  0.00e+00 m   0 1470 1392 1471 0 #N 83, HA 79, HN 83, 
1820 118.228   7.438   8.030 3 U         -2.747e+03  0.00e+00 m   0 1470 1518 1471 0 #N 83, HN 85, HN 83, 
1821 117.380   3.583   7.399 3 U         -5.520e+02  0.00e+00 m   0 1491 1452 1492 0 #N 84, HA 82, HN 84, 
1822 117.380   8.162   7.399 3 U         -6.210e+02  0.00e+00 m   0 1491 1450 1492 0 #N 84, HN 82, HN 84, 
1823 117.380   3.958   7.399 3 U         -1.976e+03  0.00e+00 m   0 1491 1427 1492 0 #N 84, HA 81, HN 84, 
1824 117.380   3.790   7.399 3 U         -3.840e+02  0.00e+00 m   0 1491 1402 1492 0 #N 84, HA 80, HN 84, 
1825 117.138   3.969   7.438 3 U         -1.620e+03  0.00e+00 m   0 1517 1473 1518 0 #N 85, HA 83, HN 85, 
1826 117.138   8.030   7.438 3 U         -9.870e+02  0.00e+00 m   0 1517 1471 1518 0 #N 85, HN 83, HN 85, 
1827 117.138   3.583   7.438 3 U         -1.733e+03  0.00e+00 m   0 1517 1452 1518 0 #N 85, HA 82, HN 85, 
1828 117.138   3.958   7.438 3 U         -1.548e+03  0.00e+00 m   0 1517 1427 1518 0 #N 85, HA 81, HN 85, 
1829 126.341   7.730   8.953 3 U         -4.910e+02  0.00e+00 m   0 1723 1757 1724 0 #N 96, HN 98, HN 96, 
1830 118.228   7.869   8.189 3 U         -1.387e+03  0.00e+00 m   0 1738 1779 1739 0 #N 97, HN 99, HN 97, 
1831 122.830   3.755   7.730 3 U         -6.130e+02  0.00e+00 m   0 1756 1726 1757 0 #N 98, HA 96, HN 98, 
1832 122.830   8.953   7.730 3 U         -6.690e+02  0.00e+00 m   0 1756 1724 1757 0 #N 98, HN 96, HN 98, 
1833 122.830   7.696   7.730 3 U         -2.490e+04  0.00e+00 m   0 1756 1797 1757 0 #N 98, HN 100, HN 98, 
1834 118.228   4.026   7.869 3 U         -1.036e+03  0.00e+00 m   0 1778 1741 1779 0 #N 99, HA 97, HN 99, 
1835 118.228   8.189   7.869 3 U         -1.917e+03  0.00e+00 m   0 1778 1739 1779 0 #N 99, HN 97, HN 99, 
1836 118.228   3.755   7.869 3 U         -2.747e+03  0.00e+00 m   0 1778 1726 1779 0 #N 99, HA 96, HN 99, 
1837 118.228   8.049   7.869 3 U         -1.691e+03  0.00e+00 m   0 1778 1822 1779 0 #N 99, HN 101, HN 99, 
1838 117.259   3.954   7.696 3 U         -4.164e+03  0.00e+00 m   0 1796 1759 1797 0 #N 100, HA 98, HN 100, 
1839 117.259   7.730   7.696 3 U         -3.504e+04  0.00e+00 m   0 1796 1757 1797 0 #N 100, HN 98, HN 100, 
1840 117.259   4.026   7.696 3 U         -5.503e+03  0.00e+00 m   0 1796 1741 1797 0 #N 100, HA 97, HN 100, 
1841 117.259   3.755   7.696 3 U         -9.210e+02  0.00e+00 m   0 1796 1726 1797 0 #N 100, HA 96, HN 100, 
1842 117.259   8.625   7.696 3 U         -8.970e+02  0.00e+00 m   0 1796 1837 1797 0 #N 100, HN 102, HN 100, 
1843 119.318   3.223   8.049 3 U         -8.330e+02  0.00e+00 m   0 1821 1781 1822 0 #N 101, HA 99, HN 101, 
1844 119.318   7.869   8.049 3 U         -1.049e+03  0.00e+00 m   0 1821 1779 1822 0 #N 101, HN 99, HN 101, 
1845 119.318   3.954   8.049 3 U         -4.243e+03  0.00e+00 m   0 1821 1759 1822 0 #N 101, HA 98, HN 101, 
1846 119.318   4.026   8.049 3 U         -4.692e+03  0.00e+00 m   0 1821 1741 1822 0 #N 101, HA 97, HN 101, 
1847 119.318   8.167   8.049 3 U         -1.996e+03  0.00e+00 m   0 1821 1859 1822 0 #N 101, HN 103, HN 101, 
1848 119.318   3.997   8.625 3 U         -4.220e+03  0.00e+00 m   0 1836 1799 1837 0 #N 102, HA 100, HN 102, 
1849 119.318   7.696   8.625 3 U         -8.930e+02  0.00e+00 m   0 1836 1797 1837 0 #N 102, HN 100, HN 102, 
1850 119.318   3.223   8.625 3 U         -1.397e+03  0.00e+00 m   0 1836 1781 1837 0 #N 102, HA 99, HN 102, 
1851 119.318   3.954   8.625 3 U         -1.761e+03  0.00e+00 m   0 1836 1759 1837 0 #N 102, HA 98, HN 102, 
1852 119.318   7.369   8.625 3 U         -7.480e+02  0.00e+00 m   0 1836 1877 1837 0 #N 102, HN 104, HN 102, 
1853 117.017   3.991   8.167 3 U         -6.901e+03  0.00e+00 m   0 1858 1824 1859 0 #N 103, HA 101, HN 103, 
1854 117.017   8.049   8.167 3 U         -1.066e+03  0.00e+00 m   0 1858 1822 1859 0 #N 103, HN 101, HN 103, 
1855 117.017   3.997   8.167 3 U         -6.716e+03  0.00e+00 m   0 1858 1799 1859 0 #N 103, HA 100, HN 103, 
1856 117.017   3.223   8.167 3 U         -7.050e+02  0.00e+00 m   0 1858 1781 1859 0 #N 103, HA 99, HN 103, 
1857 117.017   7.521   8.167 3 U         -4.360e+02  0.00e+00 m   0 1858 1902 1859 0 #N 103, HN 105, HN 103, 
1858 116.654   4.060   7.369 3 U         -1.291e+03  0.00e+00 m   0 1876 1839 1877 0 #N 104, HA 102, HN 104, 
1859 116.654   8.625   7.369 3 U         -6.400e+02  0.00e+00 m   0 1876 1837 1877 0 #N 104, HN 102, HN 104, 
1860 116.654   3.991   7.369 3 U         -5.375e+03  0.00e+00 m   0 1876 1824 1877 0 #N 104, HA 101, HN 104, 
1861 116.654   3.997   7.369 3 U         -5.793e+03  0.00e+00 m   0 1876 1799 1877 0 #N 104, HA 100, HN 104, 
1862 116.896   3.990   7.521 3 U         -1.026e+03  0.00e+00 m   0 1901 1861 1902 0 #N 105, HA 103, HN 105, 
1863 116.896   8.167   7.521 3 U         -9.170e+02  0.00e+00 m   0 1901 1859 1902 0 #N 105, HN 103, HN 105, 
1864 116.896   4.060   7.521 3 U         -2.498e+03  0.00e+00 m   0 1901 1839 1902 0 #N 105, HA 102, HN 105, 
1865 116.896   3.991   7.521 3 U         -1.026e+03  0.00e+00 m   0 1901 1824 1902 0 #N 105, HA 101, HN 105, 
1866 999.000   7.970 999.000 3 U          1.610e+02  0.00e+00 m   0 2087 2131 2088 0 #N 117, HN 119, HN 117, 
1867 119.027   7.865   8.287 3 U         -2.110e+02  0.00e+00 m   0 2112 2142 2113 0 #N 118, HN 120, HN 118, 
1868 118.732   4.023   7.970 3 U         -1.190e+03  0.00e+00 m   0 2130 2090 2131 0 #N 119, HA 117, HN 119, 
1870 118.732   8.155   7.970 3 U         -1.846e+03  0.00e+00 m   0 2130 2165 2131 0 #N 119, HN 121, HN 119, 
1871 119.701   3.895   7.865 3 U         -5.390e+02  0.00e+00 m   0 2141 2115 2142 0 #N 120, HA 118, HN 120, 
1872 119.701   8.287   7.865 3 U         -6.190e+02  0.00e+00 m   0 2141 2113 2142 0 #N 120, HN 118, HN 120, 
1873 119.701   4.023   7.865 3 U         -2.904e+03  0.00e+00 m   0 2141 2090 2142 0 #N 120, HA 117, HN 120, 
1874 119.701   8.661   7.865 3 U         -1.240e+02  0.00e+00 m   0 2141 2190 2142 0 #N 120, HN 122, HN 120, 
1875 118.543   4.381   8.155 3 U          5.000e+01  0.00e+00 m   0 2164 2133 2165 0 #N 121, HA 119, HN 121, 
1876 118.543   7.970   8.155 3 U         -1.016e+03  0.00e+00 m   0 2164 2131 2165 0 #N 121, HN 119, HN 121, 
1877 118.543   3.895   8.155 3 U         -1.620e+03  0.00e+00 m   0 2164 2115 2165 0 #N 121, HA 118, HN 121, 
1878 118.543   4.023   8.155 3 U         -2.574e+03  0.00e+00 m   0 2164 2090 2165 0 #N 121, HA 117, HN 121, 
1879 118.543   7.804   8.155 3 U         -1.222e+03  0.00e+00 m   0 2164 2201 2165 0 #N 121, HN 123, HN 121, 
1880 118.349   3.997   8.661 3 U          2.420e+02  0.00e+00 m   0 2189 2144 2190 0 #N 122, HA 120, HN 122, 
1881 118.349   7.865   8.661 3 U         -3.310e+02  0.00e+00 m   0 2189 2142 2190 0 #N 122, HN 120, HN 122, 
1882 118.349   4.381   8.661 3 U         -1.170e+02  0.00e+00 m   0 2189 2133 2190 0 #N 122, HA 119, HN 122, 
1883 118.349   3.895   8.661 3 U         -3.700e+02  0.00e+00 m   0 2189 2115 2190 0 #N 122, HA 118, HN 122, 
1884 118.349   7.964   8.661 3 U         -5.070e+02  0.00e+00 m   0 2189 2223 2190 0 #N 122, HN 124, HN 122, 
1885 120.429   3.730   7.804 3 U         -3.840e+02  0.00e+00 m   0 2200 2167 2201 0 #N 123, HA 121, HN 123, 
1886 120.429   8.155   7.804 3 U         -4.940e+02  0.00e+00 m   0 2200 2165 2201 0 #N 123, HN 121, HN 123, 
1887 120.429   3.997   7.804 3 U         -2.070e+03  0.00e+00 m   0 2200 2144 2201 0 #N 123, HA 120, HN 123, 
1888 120.429   4.381   7.804 3 U         -5.590e+02  0.00e+00 m   0 2200 2133 2201 0 #N 123, HA 119, HN 123, 
1889 120.429   7.799   7.804 3 U         -4.120e+04  0.00e+00 m   0 2200 2244 2201 0 #N 123, HN 125, HN 123, 
1890 117.929   4.315   7.964 3 U         -2.810e+02  0.00e+00 m   0 2222 2192 2223 0 #N 124, HA 122, HN 124, 
1891 117.929   8.661   7.964 3 U         -4.680e+02  0.00e+00 m   0 2222 2190 2223 0 #N 124, HN 122, HN 124, 
1892 117.929   3.730   7.964 3 U         -1.425e+03  0.00e+00 m   0 2222 2167 2223 0 #N 124, HA 121, HN 124, 
1893 117.929   3.997   7.964 3 U         -1.349e+03  0.00e+00 m   0 2222 2144 2223 0 #N 124, HA 120, HN 124, 
1894 117.929   8.287   7.964 3 U          2.630e+02  0.00e+00 m   0 2222 2259 2223 0 #N 124, HN 126, HN 124, 
1895 119.201   3.966   7.799 3 U         -2.679e+03  0.00e+00 m   0 2243 2203 2244 0 #N 125, HA 123, HN 125, 
1896 119.201   7.804   7.799 3 U         -5.954e+04  0.00e+00 m   0 2243 2201 2244 0 #N 125, HN 123, HN 125, 
1897 119.201   4.315   7.799 3 U         -9.160e+02  0.00e+00 m   0 2243 2192 2244 0 #N 125, HA 122, HN 125, 
1898 119.201   3.730   7.799 3 U         -1.560e+02  0.00e+00 m   0 2243 2167 2244 0 #N 125, HA 121, HN 125, 
1899 119.201   7.835   7.799 3 U         -2.005e+04  0.00e+00 m   0 2243 2284 2244 0 #N 125, HN 127, HN 125, 
1900 118.712   3.515   8.287 3 U         -8.400e+01  0.00e+00 m   0 2258 2225 2259 0 #N 126, HA 124, HN 126, 
1901 118.712   7.964   8.287 3 U         -5.610e+02  0.00e+00 m   0 2258 2223 2259 0 #N 126, HN 124, HN 126, 
1902 118.712   3.966   8.287 3 U          1.120e+02  0.00e+00 m   0 2258 2203 2259 0 #N 126, HA 123, HN 126, 
1903 118.712   4.315   8.287 3 U          4.160e+02  0.00e+00 m   0 2258 2192 2259 0 #N 126, HA 122, HN 126, 
1904 123.919   4.164   7.835 3 U         -3.600e+01  0.00e+00 m   0 2283 2246 2284 0 #N 127, HA 125, HN 127, 
1905 123.919   7.799   7.835 3 U         -7.942e+03  0.00e+00 m   0 2283 2244 2284 0 #N 127, HN 125, HN 127, 
1906 123.919   3.515   7.835 3 U         -3.100e+02  0.00e+00 m   0 2283 2225 2284 0 #N 127, HA 124, HN 127, 
1907 123.919   3.966   7.835 3 U         -2.600e+01  0.00e+00 m   0 2283 2203 2284 0 #N 127, HA 123, HN 127, 
9011 126.185   4.957   8.749 1 U         -7.510e+02  0.00e+00 m   0   66    0   67 0 #N 4,  0, HN 4, 
9012 126.007   1.257   8.612 1 U         -1.215e+03  0.00e+00 m   0   87    0   88 0 #N 5,  0, HN 5, 
9013 126.007   0.711   8.612 1 U         -1.243e+03  0.00e+00 m   0   87    0   88 0 #N 5,  0, HN 5, 
9014 126.007   0.567   8.612 1 U         -4.250e+02  0.00e+00 m   0   87    0   88 0 #N 5,  0, HN 5, 
9021 126.007   5.277   8.612 1 U         -1.778e+03  0.00e+00 m   0   87    0   88 0 #N 5,  0, HN 5, 
9023 128.384   4.950   9.451 1 U         -6.540e+02  0.00e+00 m   0  105    0  106 0 #N 6,  0, HN 6, 
9024 128.384   5.201   9.451 1 U         -2.175e+03  0.00e+00 m   0  105  559  106 0 #N 6, HA 31, HN 6, 
9025 126.007   1.896   8.612 1 U         -7.630e+02  0.00e+00 m   0   87    0   88 0 #N 5,  0, HN 5, 
9026 128.384   1.911   9.451 1 U         -1.265e+03  0.00e+00 m   0  105    0  106 0 #N 6,  0, HN 6, 
9027 128.384   1.260   9.451 1 U         -5.880e+02  0.00e+00 m   0  105    0  106 0 #N 6,  0, HN 6, 
9028 128.384   0.980   9.451 1 U         -1.141e+03  0.00e+00 m   0  105    0  106 0 #N 6,  0, HN 6, 
9037 128.657   8.826   8.917 1 U         -3.070e+02  0.00e+00 m   0  126    0  127 0 #N 7,  0, HN 7, 
9038 128.657   6.972   8.917 1 U         -3.920e+02  0.00e+00 m   0  126    0  127 0 #N 7,  0, HN 7, 
9039 128.657   5.083   8.917 1 U         -2.300e+02  0.00e+00 m   0  126    0  127 0 #N 7,  0, HN 7, 
9050 121.432   4.217   8.176 1 U         -9.650e+02  0.00e+00 m   0  147    0  148 0 #N 8,  0, HN 8, 
9066 128.662   4.084  10.223 1 U         -5.630e+02  0.00e+00 m   0  325    0  330 0 #NE1 18,  0, HE1 18, 
9069 128.662   2.913  10.223 1 U         -6.550e+02  0.00e+00 m   0  325    0  330 0 #NE1 18,  0, HE1 18, 
9070 128.662   2.288  10.223 1 U         -5.740e+02  0.00e+00 m   0  325    0  330 0 #NE1 18,  0, HE1 18, 
9071 128.662   2.069  10.223 1 U         -8.310e+02  0.00e+00 m   0  325    0  330 0 #NE1 18,  0, HE1 18, 
9072 128.662   1.648  10.223 1 U         -1.578e+03  0.00e+00 m   0  325    0  330 0 #NE1 18,  0, HE1 18, 
9073 128.662   1.390  10.223 1 U         -3.680e+02  0.00e+00 m   0  325    0  330 0 #NE1 18,  0, HE1 18, 
9074 128.662   1.311  10.223 1 U         -3.700e+02  0.00e+00 m   0  325    0  330 0 #NE1 18,  0, HE1 18, 
9079 128.662   0.473  10.223 1 U         -6.890e+02  0.00e+00 m   0  325    0  330 0 #NE1 18,  0, HE1 18, 
9118 118.480   8.194   7.563 1 U         -9.160e+02  0.00e+00 m   0  351    0  352 0 #N 20,  0, HN 20, 
9119 115.689   4.048   7.837 1 U         -5.900e+02  0.00e+00 m   0  394    0  395 0 #N 22,  0, HN 22, 
9125 118.732   2.212   7.924 1 U         -9.720e+02  0.00e+00 m   0  372    0  373 0 #N 21,  0, HN 21, 
9138 115.689   2.097   7.837 1 U         -1.073e+03  0.00e+00 m   0  394    0  395 0 #N 22,  0, HN 22, 
9139 115.689   0.987   7.837 1 U         -8.370e+02  0.00e+00 m   0  394    0  395 0 #N 22,  0, HN 22, 
9148 118.722   1.914   7.488 1 U         -1.789e+03  0.00e+00 m   0  419    0  420 0 #N 23,  0, HN 23, 
9149 118.722   1.864   7.488 1 U         -1.849e+03  0.00e+00 m   0  419    0  420 0 #N 23,  0, HN 23, 
9151 118.722   8.054   7.488 1 U         -1.783e+03  0.00e+00 m   0  419    0  420 0 #N 23,  0, HN 23, 
9152 118.722   7.659   7.488 1 U         -1.232e+03  0.00e+00 m   0  419    0  420 0 #N 23,  0, HN 23, 
9153 118.245   5.895   7.926 1 U         -1.733e+03  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
9159 109.751   0.725   7.678 1 U         -9.260e+02  0.00e+00 m   0  455    0  456 0 #N 25,  0, HN 25, 
9160 109.751   0.994   7.678 1 U         -1.415e+03  0.00e+00 m   0  455    0  456 0 #N 25,  0, HN 25, 
9161 109.751   2.105   7.678 1 U         -7.810e+02  0.00e+00 m   0  455    0  456 0 #N 25,  0, HN 25, 
9162 109.751   3.779   7.678 1 U         -2.221e+03  0.00e+00 m   0  455    0  456 0 #N 25,  0, HN 25, 
9167 109.751   4.030   7.678 1 U         -8.810e+02  0.00e+00 m   0  455    0  456 0 #N 25,  0, HN 25, 
9197 117.259   7.695   8.780 1 U         -6.400e+02  0.00e+00 m   0  480    0  481 0 #N 27,  0, HN 27, 
9198 117.259   7.242   8.780 1 U         -7.060e+02  0.00e+00 m   0  480    0  481 0 #N 27,  0, HN 27, 
9202 117.259   4.483   8.780 1 U         -1.287e+03  0.00e+00 m   0  480    0  481 0 #N 27,  0, HN 27, 
9203 117.259   3.703   8.780 1 U         -1.195e+03  0.00e+00 m   0  480    0  481 0 #N 27,  0, HN 27, 
9204 117.259   1.666   8.780 1 U         -5.180e+02  0.00e+00 m   0  480    0  481 0 #N 27,  0, HN 27, 
9206 117.259   0.876   8.780 1 U         -5.510e+02  0.00e+00 m   0  480    0  481 0 #N 27,  0, HN 27, 
9208 116.775   3.804   7.864 1 U         -9.200e+02  0.00e+00 m   0  491    0  492 0 #N 28,  0, HN 28, 
9212 116.775   0.991   7.864 1 U         -8.680e+02  0.00e+00 m   0  491    0  492 0 #N 28,  0, HN 28, 
9213 116.775   0.858   7.864 1 U         -1.200e+03  0.00e+00 m   0  491    0  492 0 #N 28,  0, HN 28, 
9214 116.775   0.743   7.864 1 U         -6.480e+02  0.00e+00 m   0  491    0  492 0 #N 28,  0, HN 28, 
9224 117.380   3.789   7.236 1 U         -6.280e+02  0.00e+00 m   0  517    0  518 0 #N 29,  0, HN 29, 
9236 117.380   7.116   7.236 1 U         -9.110e+02  0.00e+00 m   0  517    0  518 0 #N 29,  0, HN 29, 
9242 125.494   8.758   8.603 1 U         -8.390e+02  0.00e+00 m   0  538   67  539 0 #N 30, HN 4, HN 30, 
9243 125.494   9.451   8.603 1 U         -1.134e+03  0.00e+00 m   0  538  106  539 0 #N 30, HN 6, HN 30, 
9244 125.494   8.025   8.603 1 U         -9.550e+02  0.00e+00 m   0  538    0  539 0 #N 30,  0, HN 30, 
9246 126.099   0.908   8.348 1 U         -3.297e+03  0.00e+00 m   0  556    0  557 0 #N 31,  0, HN 31, 
9255 126.099   4.914   8.348 1 U         -2.920e+03  0.00e+00 m   0  556    0  557 0 #N 31,  0, HN 31, 
9265 126.099   5.521   8.348 1 U         -1.008e+03  0.00e+00 m   0  556    0  557 0 #N 31,  0, HN 31, 
9266 126.099   9.297   8.348 1 U         -7.880e+02  0.00e+00 m   0  556    0  557 0 #N 31,  0, HN 31, 
9282 126.099   4.803   8.348 1 U         -7.998e+03  0.00e+00 m   0  556    0  557 0 #N 31,  0, HN 31, 
9283 126.099   1.609   8.348 1 U         -7.240e+02  0.00e+00 m   0  556    0  557 0 #N 31,  0, HN 31, 
9284 126.099   0.700   8.348 1 U         -1.763e+03  0.00e+00 m   0  556    0  557 0 #N 31,  0, HN 31, 
9289 127.413   2.133   8.925 1 U         -6.580e+02  0.00e+00 m   0  577    0  578 0 #N 32,  0, HN 32, 
9291 127.413   5.438   8.925 1 U         -1.038e+03  0.00e+00 m   0  577  129  578 0 #N 32, HA 7, HN 32, 
9293 118.833   5.525   8.891 1 U         -2.036e+03  0.00e+00 m   0  598    0  599 0 #N 33,  0, HN 33, 
9295 118.833   9.283   8.891 1 U         -1.024e+03  0.00e+00 m   0  598    0  599 0 #N 33,  0, HN 33, 
9296 118.833   8.374   8.891 1 U         -6.590e+02  0.00e+00 m   0  598    0  599 0 #N 33,  0, HN 33, 
9298 125.494   2.436   8.603 1 U         -7.190e+02  0.00e+00 m   0  538    0  539 0 #N 30,  0, HN 30, 
9303 118.833   2.881   8.891 1 U         -5.400e+02  0.00e+00 m   0  598    0  599 0 #N 33,  0, HN 33, 
9304 118.833   2.986   8.891 1 U         -7.360e+02  0.00e+00 m   0  598    0  599 0 #N 33,  0, HN 33, 
9309 118.833   0.889   8.891 1 U         -3.394e+03  0.00e+00 m   0  598    0  599 0 #N 33,  0, HN 33, 
9315 115.806   1.301   7.245 1 U         -2.984e+03  0.00e+00 m   0  611    0  612 0 #N 34,  0, HN 34, 
9316 115.806   0.907   7.245 1 U         -1.045e+03  0.00e+00 m   0  611    0  612 0 #N 34,  0, HN 34, 
9317 115.806   0.783   7.245 1 U         -1.219e+03  0.00e+00 m   0  611    0  612 0 #N 34,  0, HN 34, 
9327 115.806   3.239   7.245 1 U         -6.970e+02  0.00e+00 m   0  611    0  612 0 #N 34,  0, HN 34, 
9328 115.806   2.918   7.245 1 U         -7.340e+02  0.00e+00 m   0  611    0  612 0 #N 34,  0, HN 34, 
9329 115.806   4.359   7.245 1 U         -1.273e+03  0.00e+00 m   0  611    0  612 0 #N 34,  0, HN 34, 
9348 115.806   6.508   7.245 1 U         -2.067e+03  0.00e+00 m   0  611    0  612 0 #N 34,  0, HN 34, 
9349 115.806   8.172   7.245 1 U         -5.700e+02  0.00e+00 m   0  611    0  612 0 #N 34,  0, HN 34, 
9350 124.704   6.512   8.687 1 U         -1.164e+03  0.00e+00 m   0  621    0  622 0 #N 35,  0, HN 35, 
9357 124.704   1.712   8.687 1 U         -7.180e+02  0.00e+00 m   0  621    0  622 0 #N 35,  0, HN 35, 
9358 124.704   2.074   8.687 1 U         -3.000e+02  0.00e+00 m   0  621    0  622 0 #N 35,  0, HN 35, 
9361 112.575   2.282   7.522 1 U         -9.450e+02  0.00e+00 m   0  630    0  631 0 #ND2 35,  0, HD21 35, 
9362 112.575   2.092   7.522 1 U         -4.990e+02  0.00e+00 m   0  630    0  631 0 #ND2 35,  0, HD21 35, 
9363 112.575   2.285   8.038 1 U         -8.130e+02  0.00e+00 m   0  630    0  632 0 #ND2 35,  0, HD22 35, 
9364 112.575   2.063   8.038 1 U         -5.480e+02  0.00e+00 m   0  630    0  632 0 #ND2 35,  0, HD22 35, 
9365 124.704   1.300   8.687 1 U         -1.114e+03  0.00e+00 m   0  621    0  622 0 #N 35,  0, HN 35, 
9366 124.704   1.059   8.687 1 U         -3.868e+03  0.00e+00 m   0  621    0  622 0 #N 35,  0, HN 35, 
9367 124.704   0.862   8.687 1 U         -9.890e+02  0.00e+00 m   0  621    0  622 0 #N 35,  0, HN 35, 
9368 124.704   0.789   8.687 1 U         -1.701e+03  0.00e+00 m   0  621    0  622 0 #N 35,  0, HN 35, 
9372 124.704   5.150   8.687 1 U         -1.618e+03  0.00e+00 m   0  621    0  622 0 #N 35,  0, HN 35, 
9373 124.704   4.384   8.687 1 U         -3.300e+02  0.00e+00 m   0  621    0  622 0 #N 35,  0, HN 35, 
9380 112.575   0.822   8.038 1 U         -1.110e+03  0.00e+00 m   0  630    0  632 0 #ND2 35,  0, HD22 35, 
9381 118.431   0.844   8.096 1 U         -1.041e+03  0.00e+00 m   0  660    0  661 0 #N 37,  0, HN 37, 
9382 118.431   0.781   8.096 1 U         -1.116e+03  0.00e+00 m   0  660    0  661 0 #N 37,  0, HN 37, 
9383 118.431   4.909   8.096 1 U         -1.472e+03  0.00e+00 m   0  660    0  661 0 #N 37,  0, HN 37, 
9387 118.431   9.073   8.096 1 U         -1.136e+03  0.00e+00 m   0  660    0  661 0 #N 37,  0, HN 37, 
9388 113.512   2.082   7.857 1 U         -7.260e+02  0.00e+00 m   0  673    0  674 0 #NE2 37,  0, HE21 37, 
9389 113.512   2.075   6.918 1 U         -7.320e+02  0.00e+00 m   0  673    0  675 0 #NE2 37,  0, HE22 37, 
9436 121.376   8.916   8.147 1 U         -1.171e+03  0.00e+00 m   0  700    0  701 0 #N 39,  0, HN 39, 
9437 121.376   8.690   8.147 1 U         -5.680e+02  0.00e+00 m   0  700    0  701 0 #N 39,  0, HN 39, 
9441 121.376   3.708   8.147 1 U         -3.570e+02  0.00e+00 m   0  700    0  701 0 #N 39,  0, HN 39, 
9442 121.376   5.603   8.147 1 U         -1.498e+03  0.00e+00 m   0  700    0  701 0 #N 39,  0, HN 39, 
9443 121.376   0.749   8.147 1 U         -4.914e+03  0.00e+00 m   0  700    0  701 0 #N 39,  0, HN 39, 
9444 121.376   1.046   8.147 1 U         -5.704e+03  0.00e+00 m   0  700    0  701 0 #N 39,  0, HN 39, 
9455 117.380   1.957   7.978 1 U         -2.215e+03  0.00e+00 m   0  710    0  711 0 #N 40,  0, HN 40, 
9456 117.380   1.804   7.978 1 U         -1.163e+03  0.00e+00 m   0  710    0  711 0 #N 40,  0, HN 40, 
9457 117.380   0.848   7.978 1 U         -9.700e+02  0.00e+00 m   0  710    0  711 0 #N 40,  0, HN 40, 
9458 117.380   0.753   7.978 1 U         -1.361e+03  0.00e+00 m   0  710    0  711 0 #N 40,  0, HN 40, 
9459 121.850   0.781   8.006 1 U         -1.614e+03  0.00e+00 m   0  725    0  726 0 #N 41,  0, HN 41, 
9460 120.166   0.891   8.700 1 U         -2.013e+03  0.00e+00 m   0  751    0  752 0 #N 42,  0, HN 42, 
9461 120.166   0.781   8.700 1 U         -1.450e+03  0.00e+00 m   0  751    0  752 0 #N 42,  0, HN 42, 
9462 120.166   0.186   8.700 1 U         -5.790e+02  0.00e+00 m   0  751    0  752 0 #N 42,  0, HN 42, 
9474 120.166   1.790   8.700 1 U         -1.042e+03  0.00e+00 m   0  751    0  752 0 #N 42,  0, HN 42, 
9476 120.166   6.996   8.700 1 U         -9.310e+02  0.00e+00 m   0  751    0  752 0 #N 42,  0, HN 42, 
9484 120.166   8.141   8.700 1 U         -7.250e+02  0.00e+00 m   0  751    0  752 0 #N 42,  0, HN 42, 
9485 119.439   8.477   7.704 1 U         -2.439e+03  0.00e+00 m   0  761    0  762 0 #N 43,  0, HN 43, 
9488 119.439   1.323   7.704 1 U         -1.131e+03  0.00e+00 m   0  761    0  762 0 #N 43,  0, HN 43, 
9489 119.439   0.866   7.704 1 U         -7.726e+03  0.00e+00 m   0  761    0  762 0 #N 43,  0, HN 43, 
9490 119.439   0.749   7.704 1 U         -9.140e+02  0.00e+00 m   0  761    0  762 0 #N 43,  0, HN 43, 
9491 119.439   0.933   7.704 1 U         -4.345e+03  0.00e+00 m   0  761    0  762 0 #N 43,  0, HN 43, 
9492 119.056   0.919   7.678 1 U         -4.857e+03  0.00e+00 m   0  859    0  860 0 #N 49,  0, HN 49, 
9505 121.110   7.511   7.787 1 U         -3.823e+03  0.00e+00 m   0  786    0  787 0 #N 44,  0, HN 44, 
9509 121.110   1.355   7.787 1 U         -1.888e+03  0.00e+00 m   0  786    0  787 0 #N 44,  0, HN 44, 
9510 121.110   0.866   7.787 1 U         -1.443e+03  0.00e+00 m   0  786    0  787 0 #N 44,  0, HN 44, 
9511 118.591   1.801   7.620 1 U         -7.830e+02  0.00e+00 m   0  801    0  802 0 #N 45,  0, HN 45, 
9528 103.455   4.215   7.509 1 U         -2.357e+03  0.00e+00 m   0  823    0  824 0 #N 46,  0, HN 46, 
9529 120.622   4.215   7.666 1 U         -1.654e+03  0.00e+00 m   0  830    0  831 0 #N 47,  0, HN 47, 
9530 120.622   3.985   7.666 1 U         -7.450e+02  0.00e+00 m   0  830    0  831 0 #N 47,  0, HN 47, 
9532 103.455   3.813   7.509 1 U         -1.147e+03  0.00e+00 m   0  823    0  824 0 #N 46,  0, HN 46, 
9533 103.455   2.220   7.509 1 U         -7.340e+02  0.00e+00 m   0  823    0  824 0 #N 46,  0, HN 46, 
9534 103.455   2.135   7.509 1 U         -5.740e+02  0.00e+00 m   0  823    0  824 0 #N 46,  0, HN 46, 
9535 103.455   1.816   7.509 1 U         -1.441e+03  0.00e+00 m   0  823    0  824 0 #N 46,  0, HN 46, 
9542 103.455   1.004   7.509 1 U         -1.031e+03  0.00e+00 m   0  823    0  824 0 #N 46,  0, HN 46, 
9543 103.455   0.919   7.509 1 U         -2.278e+03  0.00e+00 m   0  823    0  824 0 #N 46,  0, HN 46, 
9544 120.622   1.383   7.666 1 U         -2.323e+03  0.00e+00 m   0  830    0  831 0 #N 47,  0, HN 47, 
9565 124.967   2.170   8.452 1 U         -1.076e+03  0.00e+00 m   0  848    0  849 0 #N 48,  0, HN 48, 
9572 124.967   1.004   8.452 1 U         -2.158e+03  0.00e+00 m   0  848    0  849 0 #N 48,  0, HN 48, 
9574 119.056   3.864   7.678 1 U         -9.330e+02  0.00e+00 m   0  859    0  860 0 #N 49,  0, HN 49, 
9575 119.056   1.000   7.678 1 U         -1.121e+03  0.00e+00 m   0  859    0  860 0 #N 49,  0, HN 49, 
9610 126.705   1.806   9.288 1 U         -6.410e+02  0.00e+00 m   0  906    0  907 0 #N 51,  0, HN 51, 
9611 126.705   0.915   9.288 1 U         -1.343e+03  0.00e+00 m   0  906    0  907 0 #N 51,  0, HN 51, 
9612 126.705   1.046   9.288 1 U         -9.580e+02  0.00e+00 m   0  906    0  907 0 #N 51,  0, HN 51, 
9616 126.705   8.364   9.288 1 U         -1.184e+03  0.00e+00 m   0  906    0  907 0 #N 51,  0, HN 51, 
9617 126.705   8.909   9.288 1 U         -1.050e+03  0.00e+00 m   0  906    0  907 0 #N 51,  0, HN 51, 
9618 126.705   5.157   9.288 1 U         -3.064e+03  0.00e+00 m   0  906    0  907 0 #N 51,  0, HN 51, 
9646 127.189   0.954   8.523 1 U         -9.240e+02  0.00e+00 m   0  929    0  930 0 #N 52,  0, HN 52, 
9647 127.189   1.061   8.523 1 U         -6.620e+02  0.00e+00 m   0  929    0  930 0 #N 52,  0, HN 52, 
9648 127.189   1.553   8.523 1 U         -8.190e+02  0.00e+00 m   0  929    0  930 0 #N 52,  0, HN 52, 
9683 121.861   0.976   7.238 1 U         -6.340e+02  0.00e+00 m   0  986    0  987 0 #N 55,  0, HN 55, 
9684 121.861   0.784   7.238 1 U         -5.850e+02  0.00e+00 m   0  986    0  987 0 #N 55,  0, HN 55, 
9685 121.861   1.493   7.238 1 U         -1.026e+03  0.00e+00 m   0  986    0  987 0 #N 55,  0, HN 55, 
9686 121.861   1.556   7.238 1 U         -1.197e+03  0.00e+00 m   0  986    0  987 0 #N 55,  0, HN 55, 
9692 121.861   4.838   7.238 1 U         -5.913e+03  0.00e+00 m   0  986    0  987 0 #N 55,  0, HN 55, 
9693 118.978   0.792   7.880 1 U         -2.178e+03  0.00e+00 m   0 1023    0 1024 0 #N 58,  0, HN 58, 
9700 118.978   2.847   7.880 1 U         -1.174e+03  0.00e+00 m   0 1023    0 1024 0 #N 58,  0, HN 58, 
9708 118.978   4.781   7.880 1 U         -8.300e+02  0.00e+00 m   0 1023    0 1024 0 #N 58,  0, HN 58, 
9743 120.189   0.901   8.347 1 U         -2.138e+03  0.00e+00 m   0 1066    0 1067 0 #N 60,  0, HN 60, 
9744 116.048   2.935   7.773 1 U         -6.640e+02  0.00e+00 m   0 1076    0 1077 0 #N 61,  0, HN 61, 
9745 116.048   1.788   7.773 1 U         -2.008e+03  0.00e+00 m   0 1076    0 1077 0 #N 61,  0, HN 61, 
9746 116.048   1.685   7.773 1 U         -1.086e+03  0.00e+00 m   0 1076    0 1077 0 #N 61,  0, HN 61, 
9747 116.048   0.912   7.773 1 U         -2.187e+03  0.00e+00 m   0 1076    0 1077 0 #N 61,  0, HN 61, 
9748 116.048   0.781   7.773 1 U         -8.360e+02  0.00e+00 m   0 1076    0 1077 0 #N 61,  0, HN 61, 
9791 121.376   0.937   8.435 1 U         -1.301e+03  0.00e+00 m   0 1155    0 1156 0 #N 65,  0, HN 65, 
9792 121.376   0.770   8.435 1 U         -7.250e+02  0.00e+00 m   0 1155    0 1156 0 #N 65,  0, HN 65, 
9793 121.376   0.161   8.435 1 U         -3.520e+02  0.00e+00 m   0 1155    0 1156 0 #N 65,  0, HN 65, 
9811 117.017   6.762   8.203 1 U         -9.940e+02  0.00e+00 m   0 1180    0 1181 0 #N 66,  0, HN 66, 
9820 117.017   3.843   8.203 1 U         -7.490e+02  0.00e+00 m   0 1180    0 1181 0 #N 66,  0, HN 66, 
9825 117.017   0.855   8.203 1 U         -2.073e+03  0.00e+00 m   0 1180    0 1181 0 #N 66,  0, HN 66, 
9826 117.017   0.172   8.203 1 U         -8.760e+02  0.00e+00 m   0 1180    0 1181 0 #N 66,  0, HN 66, 
9827 117.017   0.172   4.150 1 U         -1.190e+02  0.00e+00 m   0 1180    0    0 0 #N 66,  0,  0, 
9830 117.017   1.252   8.203 1 U         -8.640e+02  0.00e+00 m   0 1180    0 1181 0 #N 66,  0, HN 66, 
9845 106.361   0.891   7.840 1 U         -9.350e+02  0.00e+00 m   0 1202    0 1203 0 #N 67,  0, HN 67, 
9846 106.361   1.248   7.840 1 U         -1.897e+03  0.00e+00 m   0 1202    0 1203 0 #N 67,  0, HN 67, 
9847 118.591   1.369   6.758 1 U         -2.056e+03  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9848 118.591   0.944   6.758 1 U         -1.311e+03  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9849 118.591   0.866   6.758 1 U         -2.992e+03  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9850 118.591   0.753   6.758 1 U         -2.795e+03  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9851 118.591   1.787   6.758 1 U         -5.920e+02  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9852 118.591   1.882   6.758 1 U         -2.582e+03  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9862 106.361   3.236   7.840 1 U         -8.890e+02  0.00e+00 m   0 1202    0 1203 0 #N 67,  0, HN 67, 
9863 106.361   3.831   7.840 1 U         -9.441e+03  0.00e+00 m   0 1202    0 1203 0 #N 67,  0, HN 67, 
9864 106.361   3.902   7.840 1 U         -8.555e+03  0.00e+00 m   0 1202    0 1203 0 #N 67,  0, HN 67, 
9865 106.361   4.026   7.840 1 U         -3.157e+03  0.00e+00 m   0 1202    0 1203 0 #N 67,  0, HN 67, 
9866 118.591   3.243   6.758 1 U         -9.000e+02  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9867 118.591   3.824   6.758 1 U         -2.478e+03  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9868 118.591   3.905   6.758 1 U         -2.357e+03  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9869 118.591   4.019   6.758 1 U         -8.420e+02  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9875 106.361   8.435   7.840 1 U         -8.360e+02  0.00e+00 m   0 1202    0 1203 0 #N 67,  0, HN 67, 
9876 118.591   8.212   6.758 1 U         -1.214e+03  0.00e+00 m   0 1209    0 1210 0 #N 68,  0, HN 68, 
9886 117.017   1.774   8.861 1 U         -1.727e+03  0.00e+00 m   0 1219    0 1220 0 #N 69,  0, HN 69, 
9888 117.017   0.855   8.861 1 U         -1.826e+03  0.00e+00 m   0 1219    0 1220 0 #N 69,  0, HN 69, 
9889 117.017   0.784   8.861 1 U         -1.239e+03  0.00e+00 m   0 1219    0 1220 0 #N 69,  0, HN 69, 
9892 118.228   4.176   7.394 1 U         -7.120e+02  0.00e+00 m   0 1230    0 1231 0 #N 70,  0, HN 70, 
9894 125.933   7.854   9.040 1 U         -5.650e+02  0.00e+00 m   0 1251    0 1252 0 #N 71,  0, HN 71, 
9895 125.933   9.306   9.040 1 U         -1.193e+03  0.00e+00 m   0 1251    0 1252 0 #N 71,  0, HN 71, 
9896 118.228   1.687   7.394 1 U         -6.690e+02  0.00e+00 m   0 1230    0 1231 0 #N 70,  0, HN 70, 
9897 125.933   0.714   9.040 1 U         -3.664e+03  0.00e+00 m   0 1251    0 1252 0 #N 71,  0, HN 71, 
9900 125.933   0.923   9.040 1 U         -2.306e+03  0.00e+00 m   0 1251    0 1252 0 #N 71,  0, HN 71, 
9902 125.933   1.678   9.040 1 U         -7.310e+02  0.00e+00 m   0 1251    0 1252 0 #N 71,  0, HN 71, 
9908 125.933   5.228   9.040 1 U         -2.751e+03  0.00e+00 m   0 1251    0 1252 0 #N 71,  0, HN 71, 
9912 118.245   9.304   7.926 1 U         -1.347e+03  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
9914 126.725   2.117   9.511 1 U         -5.710e+02  0.00e+00 m   0 1269    0 1270 0 #N 72,  0, HN 72, 
9936 118.245   2.089   7.926 1 U         -2.329e+03  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
9937 118.245   1.692   7.926 1 U         -1.299e+03  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
9938 118.245   0.710   7.926 1 U         -4.272e+03  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
9939 118.245   0.792   7.926 1 U         -4.113e+03  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
9940 125.756   9.636   9.304 1 U         -2.434e+03  0.00e+00 m   0 1317    0 1318 0 #N 75,  0, HN 75, 
9941 120.008   7.518   8.084 1 U         -1.022e+03  0.00e+00 m   0 1331    0 1332 0 #N 76,  0, HN 76, 
9942 126.012   5.649   9.298 1 U         -2.835e+03  0.00e+00 m   0 1666    0 1667 0 #N 92,  0, HN 92, 
9943 120.008   1.447   8.084 1 U         -3.868e+03  0.00e+00 m   0 1331    0 1332 0 #N 76,  0, HN 76, 
9944 120.008   0.753   8.084 1 U         -9.910e+02  0.00e+00 m   0 1331    0 1332 0 #N 76,  0, HN 76, 
9945 120.008   0.848   8.084 1 U         -5.340e+02  0.00e+00 m   0 1331    0 1332 0 #N 76,  0, HN 76, 
9948 119.681   0.869   8.017 1 U         -2.110e+03  0.00e+00 m   0 1357    0 1358 0 #N 77,  0, HN 77, 
9949 119.681   0.760   8.017 1 U         -1.460e+03  0.00e+00 m   0 1357    0 1358 0 #N 77,  0, HN 77, 
9960 119.923   1.416   8.299 1 U         -1.937e+03  0.00e+00 m   0 1368    0 1369 0 #N 78,  0, HN 78, 
9961 119.923   0.720   8.299 1 U         -1.644e+03  0.00e+00 m   0 1368    0 1369 0 #N 78,  0, HN 78, 
9962 119.923   1.906   8.299 1 U         -1.241e+03  0.00e+00 m   0 1368    0 1369 0 #N 78,  0, HN 78, 
9965 120.650   0.737   7.699 1 U         -2.141e+03  0.00e+00 m   0 1389    0 1390 0 #N 79,  0, HN 79, 
9966 120.650   0.943   7.699 1 U         -3.414e+03  0.00e+00 m   0 1389    0 1390 0 #N 79,  0, HN 79, 
9967 120.650   1.805   7.699 1 U         -2.175e+03  0.00e+00 m   0 1389    0 1390 0 #N 79,  0, HN 79, 
9968 120.650   1.913   7.699 1 U         -9.680e+02  0.00e+00 m   0 1389    0 1390 0 #N 79,  0, HN 79, 
9974 120.650   2.660   7.699 1 U         -1.413e+03  0.00e+00 m   0 1389    0 1390 0 #N 79,  0, HN 79, 
9982 114.474   0.946   7.996 1 U         -5.410e+02  0.00e+00 m   0 1399    0 1400 0 #N 80,  0, HN 80, 
9983 114.474   0.835   7.996 1 U         -9.780e+02  0.00e+00 m   0 1399    0 1400 0 #N 80,  0, HN 80, 
9984 114.474   0.750   7.996 1 U         -2.650e+03  0.00e+00 m   0 1399    0 1400 0 #N 80,  0, HN 80, 
9991 114.474   1.538   7.996 1 U         -6.000e+02  0.00e+00 m   0 1399    0 1400 0 #N 80,  0, HN 80, 
10012 117.986   0.869   7.634 1 U         -1.888e+03  0.00e+00 m   0 1424    0 1425 0 #N 81,  0, HN 81, 
10013 117.986   0.744   7.634 1 U         -1.610e+03  0.00e+00 m   0 1424    0 1425 0 #N 81,  0, HN 81, 
10014 117.986   0.940   7.634 1 U         -1.049e+03  0.00e+00 m   0 1424    0 1425 0 #N 81,  0, HN 81, 
10017 117.623   1.328   8.162 1 U         -1.488e+03  0.00e+00 m   0 1449    0 1450 0 #N 82,  0, HN 82, 
10018 117.623   0.757   8.162 1 U         -2.534e+03  0.00e+00 m   0 1449    0 1450 0 #N 82,  0, HN 82, 
10028 118.228   8.639   8.030 1 U         -3.341e+03  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10029 118.228   8.312   8.030 1 U         -1.257e+03  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10038 118.228   8.937   8.030 1 U         -6.180e+02  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10039 118.228   4.371   8.030 1 U         -4.351e+03  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10040 118.228   4.935   8.030 1 U         -1.099e+03  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10041 118.228   5.104   8.030 1 U         -1.460e+03  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10046 118.228   2.704   8.030 1 U         -3.709e+03  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10047 118.228   2.495   8.030 1 U         -6.820e+02  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10048 118.228   2.214   8.030 1 U         -8.610e+02  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10060 118.228   1.406   8.030 1 U         -8.640e+02  0.00e+00 m   0 1470    0 1471 0 #N 83,  0, HN 83, 
10070 117.138   1.335   7.438 1 U         -1.329e+03  0.00e+00 m   0 1517    0 1518 0 #N 85,  0, HN 85, 
10071 117.138   0.930   7.438 1 U         -2.855e+03  0.00e+00 m   0 1517    0 1518 0 #N 85,  0, HN 85, 
10072 117.138   0.875   7.438 1 U         -9.840e+02  0.00e+00 m   0 1517    0 1518 0 #N 85,  0, HN 85, 
10079 121.134   4.134   8.303 1 U         -7.180e+02  0.00e+00 m   0 1542    0 1543 0 #N 86,  0, HN 86, 
10080 121.134   3.958   8.303 1 U         -2.113e+03  0.00e+00 m   0 1542    0 1543 0 #N 86,  0, HN 86, 
10081 121.134   3.597   8.303 1 U         -1.261e+03  0.00e+00 m   0 1542    0 1543 0 #N 86,  0, HN 86, 
10088 121.134   0.788   8.303 1 U         -1.897e+03  0.00e+00 m   0 1542    0 1543 0 #N 86,  0, HN 86, 
10089 121.134   0.696   8.303 1 U         -1.502e+03  0.00e+00 m   0 1542    0 1543 0 #N 86,  0, HN 86, 
10090 121.134   1.321   8.303 1 U         -8.280e+02  0.00e+00 m   0 1542    0 1543 0 #N 86,  0, HN 86, 
10109 113.372   1.826   6.906 1 U         -7.000e+02  0.00e+00 m   0 1598    0 1599 0 #ND2 88,  0, HD21 88, 
10110 113.372   2.988   6.906 1 U         -5.160e+02  0.00e+00 m   0 1598    0 1599 0 #ND2 88,  0, HD21 88, 
10112 113.372   1.436   6.906 1 U         -4.450e+02  0.00e+00 m   0 1598    0 1599 0 #ND2 88,  0, HD21 88, 
10113 113.372   1.463   7.685 1 U         -6.720e+02  0.00e+00 m   0 1598    0 1600 0 #ND2 88,  0, HD22 88, 
10114 119.318   0.906   7.269 1 U         -1.251e+03  0.00e+00 m   0 1603    0 1604 0 #N 89,  0, HN 89, 
10115 119.318   1.338   7.269 1 U         -1.150e+03  0.00e+00 m   0 1603    0 1604 0 #N 89,  0, HN 89, 
10116 119.318   1.484   7.269 1 U         -9.170e+02  0.00e+00 m   0 1603    0 1604 0 #N 89,  0, HN 89, 
10128 119.318   4.411   7.269 1 U         -1.033e+03  0.00e+00 m   0 1603    0 1604 0 #N 89,  0, HN 89, 
10129 119.318   4.891   7.269 1 U         -7.690e+02  0.00e+00 m   0 1603    0 1604 0 #N 89,  0, HN 89, 
10149 124.888   4.915   7.855 1 U         -1.119e+03  0.00e+00 m   0 1624    0 1625 0 #N 90,  0, HN 90, 
10154 126.510   4.752   8.816 1 U         -4.027e+03  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10155 126.510   3.769   8.816 1 U         -2.207e+03  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10156 126.510   5.300   8.816 1 U         -3.325e+03  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10157 126.510   2.079   8.816 1 U         -4.135e+03  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10158 126.510   2.218   8.816 1 U         -7.200e+02  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10159 126.510   2.332   8.816 1 U         -8.360e+02  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10179 126.510   1.720   8.816 1 U         -7.800e+02  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10180 126.510   0.798   8.816 1 U         -2.498e+03  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10205 126.510   7.119   8.816 1 U         -6.350e+02  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10206 126.510   8.156   8.816 1 U         -2.144e+03  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10207 126.510   8.900   8.816 1 U         -1.789e+03  0.00e+00 m   0 1645    0 1646 0 #N 91,  0, HN 91, 
10217 126.012   7.930   9.298 1 U         -1.022e+03  0.00e+00 m   0 1666    0 1667 0 #N 92,  0, HN 92, 
10218 110.720   8.545   8.266 1 U         -1.945e+03  0.00e+00 m   0 1688    0 1689 0 #N 93,  0, HN 93, 
10219 110.720   8.930   8.266 1 U         -1.235e+03  0.00e+00 m   0 1688    0 1689 0 #N 93,  0, HN 93, 
10237 110.720   5.600   8.266 1 U         -1.028e+03  0.00e+00 m   0 1688    0 1689 0 #N 93,  0, HN 93, 
10241 110.720   6.997   8.266 1 U         -6.700e+02  0.00e+00 m   0 1688    0 1689 0 #N 93,  0, HN 93, 
10242 110.720   7.091   8.266 1 U         -6.170e+02  0.00e+00 m   0 1688    0 1689 0 #N 93,  0, HN 93, 
10246 122.365   5.601   8.139 1 U         -1.014e+03  0.00e+00 m   0 1698    0 1699 0 #N 94,  0, HN 94, 
10249 122.365   4.827   8.139 1 U         -1.458e+03  0.00e+00 m   0 1698    0 1699 0 #N 94,  0, HN 94, 
10253 111.225   4.844   7.933 1 U         -7.610e+02  0.00e+00 m   0 1707    0 1708 0 #ND2 94,  0, HD21 94, 
10254 111.225   4.823   7.213 1 U         -8.810e+02  0.00e+00 m   0 1707    0 1709 0 #ND2 94,  0, HD22 94, 
10255 111.225   4.012   7.213 1 U         -6.360e+02  0.00e+00 m   0 1707    0 1709 0 #ND2 94,  0, HD22 94, 
10259 121.561   2.103   8.131 1 U         -1.602e+03  0.00e+00 m   0 1712    0 1713 0 #N 95,  0, HN 95, 
10264 121.561   1.487   8.131 1 U         -1.052e+03  0.00e+00 m   0 1712    0 1713 0 #N 95,  0, HN 95, 
10265 121.561   0.794   8.131 1 U         -2.490e+03  0.00e+00 m   0 1712    0 1713 0 #N 95,  0, HN 95, 
10275 118.228   1.853   8.189 1 U         -1.307e+03  0.00e+00 m   0 1738    0 1739 0 #N 97,  0, HN 97, 
10276 118.228   1.738   8.189 1 U         -9.750e+02  0.00e+00 m   0 1738    0 1739 0 #N 97,  0, HN 97, 
10277 118.228   1.633   8.189 1 U         -6.500e+02  0.00e+00 m   0 1738    0 1739 0 #N 97,  0, HN 97, 
10278 118.228   1.477   8.189 1 U         -1.843e+03  0.00e+00 m   0 1738    0 1739 0 #N 97,  0, HN 97, 
10279 118.228   0.838   8.189 1 U         -1.119e+03  0.00e+00 m   0 1738    0 1739 0 #N 97,  0, HN 97, 
10280 118.228   4.506   8.189 1 U         -8.000e+02  0.00e+00 m   0 1738    0 1739 0 #N 97,  0, HN 97, 
10281 118.228   4.692   8.189 1 U         -2.297e+03  0.00e+00 m   0 1738    0 1739 0 #N 97,  0, HN 97, 
10282 112.678   1.693   6.913 1 U         -9.950e+02  0.00e+00 m   0 1751    0 1752 0 #NE2 97,  0, HE21 97, 
10283 122.830   2.552   7.730 1 U         -8.520e+02  0.00e+00 m   0 1756    0 1757 0 #N 98,  0, HN 98, 
10284 122.830   3.008   7.730 1 U         -1.592e+03  0.00e+00 m   0 1756    0 1757 0 #N 98,  0, HN 98, 
10285 122.830   3.197   7.730 1 U         -6.150e+02  0.00e+00 m   0 1756    0 1757 0 #N 98,  0, HN 98, 
10290 122.830   4.820   7.730 1 U         -8.370e+02  0.00e+00 m   0 1756    0 1757 0 #N 98,  0, HN 98, 
10316 117.259   7.143   7.696 1 U         -2.011e+03  0.00e+00 m   0 1796    0 1797 0 #N 100,  0, HN 100, 
10317 117.259   8.170   7.696 1 U         -1.319e+03  0.00e+00 m   0 1796    0 1797 0 #N 100,  0, HN 100, 
10318 117.259   8.542   7.696 1 U         -2.807e+03  0.00e+00 m   0 1796    0 1797 0 #N 100,  0, HN 100, 
10319 117.259   4.124   7.696 1 U         -1.301e+03  0.00e+00 m   0 1796    0 1797 0 #N 100,  0, HN 100, 
10320 117.259   4.222   7.696 1 U         -2.150e+03  0.00e+00 m   0 1796    0 1797 0 #N 100,  0, HN 100, 
10321 117.259   2.160   7.696 1 U         -4.050e+03  0.00e+00 m   0 1796    0 1797 0 #N 100,  0, HN 100, 
10322 117.259   2.430   7.696 1 U         -7.020e+02  0.00e+00 m   0 1796    0 1797 0 #N 100,  0, HN 100, 
10323 117.259   0.950   7.696 1 U         -6.740e+02  0.00e+00 m   0 1796    0 1797 0 #N 100,  0, HN 100, 
10325 119.318   0.835   8.049 1 U         -1.630e+03  0.00e+00 m   0 1821    0 1822 0 #N 101,  0, HN 101, 
10326 119.318   0.737   8.049 1 U         -1.886e+03  0.00e+00 m   0 1821    0 1822 0 #N 101,  0, HN 101, 
10327 119.318   1.433   8.625 1 U         -9.080e+02  0.00e+00 m   0 1836    0 1837 0 #N 102,  0, HN 102, 
10333 119.318   8.552   8.049 1 U         -1.319e+03  0.00e+00 m   0 1821    0 1822 0 #N 101,  0, HN 101, 
10341 119.318   0.832   8.625 1 U         -3.229e+03  0.00e+00 m   0 1836    0 1837 0 #N 102,  0, HN 102, 
10359 111.225   1.724   7.145 1 U         -1.277e+03  0.00e+00 m   0 1871    0 1872 0 #NE2 103,  0, HE21 103, 
10360 111.225   0.835   7.145 1 U         -1.201e+03  0.00e+00 m   0 1871    0 1872 0 #NE2 103,  0, HE21 103, 
10361 111.225   0.737   7.145 1 U         -3.249e+03  0.00e+00 m   0 1871    0 1872 0 #NE2 103,  0, HE21 103, 
10362 111.225   1.737   6.701 1 U         -8.490e+02  0.00e+00 m   0 1871    0 1873 0 #NE2 103,  0, HE22 103, 
10363 111.225   0.828   6.701 1 U         -8.740e+02  0.00e+00 m   0 1871    0 1873 0 #NE2 103,  0, HE22 103, 
10364 111.225   0.750   6.701 1 U         -2.093e+03  0.00e+00 m   0 1871    0 1873 0 #NE2 103,  0, HE22 103, 
10365 111.225   4.638   7.145 1 U         -5.600e+02  0.00e+00 m   0 1871    0 1872 0 #NE2 103,  0, HE21 103, 
10366 111.225   4.634   6.701 1 U         -3.480e+02  0.00e+00 m   0 1871    0 1873 0 #NE2 103,  0, HE22 103, 
10368 116.654   7.937   7.369 1 U         -9.950e+02  0.00e+00 m   0 1876    0 1877 0 #N 104,  0, HN 104, 
10370 116.896   1.460   7.521 1 U         -1.123e+03  0.00e+00 m   0 1901    0 1902 0 #N 105,  0, HN 105, 
10371 116.896   1.349   7.521 1 U         -1.427e+03  0.00e+00 m   0 1901    0 1902 0 #N 105,  0, HN 105, 
10372 116.896   0.754   7.521 1 U         -1.456e+03  0.00e+00 m   0 1901    0 1902 0 #N 105,  0, HN 105, 
10373 122.830   0.774   7.971 1 U         -8.960e+02  0.00e+00 m   0 1916    0 1917 0 #N 106,  0, HN 106, 
10375 122.830   4.144   7.971 1 U         -8.680e+02  0.00e+00 m   0 1916    0 1917 0 #N 106,  0, HN 106, 
10376 122.830   4.006   7.971 1 U         -1.622e+03  0.00e+00 m   0 1916    0 1917 0 #N 106,  0, HN 106, 
10377 122.830   4.090   7.971 1 U         -5.290e+02  0.00e+00 m   0 1916    0 1917 0 #N 106,  0, HN 106, 
10378 122.830   7.368   7.971 1 U         -9.890e+02  0.00e+00 m   0 1916    0 1917 0 #N 106,  0, HN 106, 
10388 119.197   1.355   8.540 1 U         -1.317e+03  0.00e+00 m   0 1936    0 1937 0 #N 108,  0, HN 108, 
10390 122.103   4.023   7.750 1 U         -1.237e+03  0.00e+00 m   0 1947    0 1948 0 #N 109,  0, HN 109, 
10391 122.103   3.928   7.750 1 U         -6.640e+02  0.00e+00 m   0 1947    0 1948 0 #N 109,  0, HN 109, 
10394 122.103   0.727   7.750 1 U         -8.640e+02  0.00e+00 m   0 1947    0 1948 0 #N 109,  0, HN 109, 
10407 123.092   1.852   8.924 1 U         -6.110e+02  0.00e+00 m   0 2001    0 2002 0 #N 112,  0, HN 112, 
10423 123.092   5.374   8.924 1 U         -1.766e+03  0.00e+00 m   0 2001    0 2002 0 #N 112,  0, HN 112, 
10432 107.350   2.434   7.255 1 U         -5.130e+02  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10433 107.350   2.380   7.255 1 U         -7.460e+02  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10434 107.350   2.292   7.255 1 U         -7.900e+02  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10435 107.350   2.079   7.255 1 U         -1.080e+03  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10436 107.350   2.035   7.255 1 U         -8.970e+02  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10437 107.350   3.752   7.255 1 U         -8.790e+02  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10442 120.428   0.821   8.938 1 U         -2.490e+03  0.00e+00 m   0 2024    0 2025 0 #N 113,  0, HN 113, 
10443 120.428   0.740   8.938 1 U         -3.177e+03  0.00e+00 m   0 2024    0 2025 0 #N 113,  0, HN 113, 
10448 107.350   0.832   7.255 1 U         -1.089e+03  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10449 107.350   0.750   7.255 1 U         -3.410e+02  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10450 107.350   2.481   6.575 1 U         -5.350e+02  0.00e+00 m   0 2033    0 2035 0 #ND2 113,  0, HD22 113, 
10451 107.350   2.096   6.575 1 U         -6.650e+02  0.00e+00 m   0 2033    0 2035 0 #ND2 113,  0, HD22 113, 
10452 107.350   0.828   6.575 1 U         -6.550e+02  0.00e+00 m   0 2033    0 2035 0 #ND2 113,  0, HD22 113, 
10453 107.350   0.730   6.575 1 U         -5.640e+02  0.00e+00 m   0 2033    0 2035 0 #ND2 113,  0, HD22 113, 
10454 107.350   8.552   7.255 1 U         -5.350e+02  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10455 107.350   8.187   7.255 1 U         -7.450e+02  0.00e+00 m   0 2033    0 2034 0 #ND2 113,  0, HD21 113, 
10456 107.350   8.180   6.575 1 U         -6.460e+02  0.00e+00 m   0 2033    0 2035 0 #ND2 113,  0, HD22 113, 
10458 122.607   8.264   8.545 1 U         -1.279e+03  0.00e+00 m   0 2038    0 2039 0 #N 114,  0, HN 114, 
10464 122.607   5.266   8.545 1 U         -2.394e+03  0.00e+00 m   0 2038    0 2039 0 #N 114,  0, HN 114, 
10475 120.642   1.298   9.249 1 U         -5.380e+02  0.00e+00 m   0 2056    0 2057 0 #N 115,  0, HN 115, 
10476 120.642   2.318   9.249 1 U         -5.540e+02  0.00e+00 m   0 2056    0 2057 0 #N 115,  0, HN 115, 
10484 120.642   2.839   9.249 1 U         -8.070e+02  0.00e+00 m   0 2056    0 2057 0 #N 115,  0, HN 115, 
10485 120.642   3.120   9.249 1 U         -1.011e+03  0.00e+00 m   0 2056    0 2057 0 #N 115,  0, HN 115, 
10488 114.615   5.246   8.191 1 U         -9.750e+02  0.00e+00 m   0 2069    0 2070 0 #NE2 115,  0, HE21 115, 
10489 114.615   5.252   7.069 1 U         -1.634e+03  0.00e+00 m   0 2069    0 2071 0 #NE2 115,  0, HE22 115, 
10490 114.615   3.086   7.069 1 U         -6.870e+02  0.00e+00 m   0 2069    0 2071 0 #NE2 115,  0, HE22 115, 
10491 114.615   3.404   7.069 1 U         -8.760e+02  0.00e+00 m   0 2069    0 2071 0 #NE2 115,  0, HE22 115, 
10492 114.615   2.258   7.069 1 U         -5.340e+02  0.00e+00 m   0 2069    0 2071 0 #NE2 115,  0, HE22 115, 
10493 108.541   0.781   8.066 1 U         -1.104e+03  0.00e+00 m   0 2074    0 2075 0 #N 116,  0, HN 116, 
10494 108.541   1.784   8.066 1 U         -5.580e+02  0.00e+00 m   0 2074    0 2075 0 #N 116,  0, HN 116, 
10495 108.541   2.839   8.066 1 U         -2.422e+03  0.00e+00 m   0 2074    0 2075 0 #N 116,  0, HN 116, 
10496 108.541   3.137   8.066 1 U         -3.607e+03  0.00e+00 m   0 2074    0 2075 0 #N 116,  0, HN 116, 
10497 108.541   3.083   8.066 1 U         -1.480e+03  0.00e+00 m   0 2074    0 2075 0 #N 116,  0, HN 116, 
10498 108.541   4.360   8.066 1 U         -2.207e+03  0.00e+00 m   0 2074    0 2075 0 #N 116,  0, HN 116, 
10509 108.541   7.987   8.066 1 U         -2.030e+03  0.00e+00 m   0 2074    0 2075 0 #N 116,  0, HN 116, 
10510 108.541   7.856   8.066 1 U         -9.840e+02  0.00e+00 m   0 2074    0 2075 0 #N 116,  0, HN 116, 
10513 118.712   1.315   8.287 1 U         -2.270e+02  0.00e+00 m   0 2258    0 2259 0 #N 126,  0, HN 126, 
10514 119.027   4.712   8.287 1 U         -1.458e+03  0.00e+00 m   0 2112    0 2113 0 #N 118,  0, HN 118, 
10517 118.732   4.709   7.970 1 U         -8.380e+02  0.00e+00 m   0 2130    0 2131 0 #N 119,  0, HN 119, 
10518 118.732   1.294   7.970 1 U         -1.462e+03  0.00e+00 m   0 2130    0 2131 0 #N 119,  0, HN 119, 
10519 118.732   0.771   7.970 1 U         -7.820e+02  0.00e+00 m   0 2130    0 2131 0 #N 119,  0, HN 119, 
10524 119.701   1.853   7.865 1 U         -5.010e+02  0.00e+00 m   0 2141    0 2142 0 #N 120,  0, HN 120, 
10525 119.701   0.784   7.865 1 U         -1.225e+03  0.00e+00 m   0 2141    0 2142 0 #N 120,  0, HN 120, 
10528 118.543   8.825   8.155 1 U         -9.330e+02  0.00e+00 m   0 2164    0 2165 0 #N 121,  0, HN 121, 
10529 120.429   0.832   7.804 1 U         -6.780e+02  0.00e+00 m   0 2200    0 2201 0 #N 123,  0, HN 123, 
10530 120.429   0.761   7.804 1 U         -6.330e+02  0.00e+00 m   0 2200    0 2201 0 #N 123,  0, HN 123, 
10531 120.429   1.845   7.804 1 U         -6.440e+02  0.00e+00 m   0 2200    0 2201 0 #N 123,  0, HN 123, 
10532 120.429   1.936   7.804 1 U         -9.260e+02  0.00e+00 m   0 2200    0 2201 0 #N 123,  0, HN 123, 
10561 117.929   0.595   7.964 1 U         -6.360e+02  0.00e+00 m   0 2222    0 2223 0 #N 124,  0, HN 124, 
10565 117.259   4.669   8.780 1 U         -1.562e+03  0.00e+00 m   0  480    0  481 0 #N 27,  0, HN 27, 
10566 117.259   4.821   8.780 1 U         -5.490e+02  0.00e+00 m   0  480    0  481 0 #N 27,  0, HN 27, 
10567 125.494   4.678   8.603 1 U         -4.600e+02  0.00e+00 m   0  538    0  539 0 #N 30,  0, HN 30, 
10568 127.413   4.818   8.925 1 U         -8.290e+02  0.00e+00 m   0  577    0  578 0 #N 32,  0, HN 32, 
10574 126.099   4.755   8.348 1 U         -1.249e+03  0.00e+00 m   0  556    0  557 0 #N 31,  0, HN 31, 
10575 125.494   4.758   8.603 1 U         -8.530e+02  0.00e+00 m   0  538    0  539 0 #N 30,  0, HN 30, 
10576 117.259   8.931   8.780 1 U         -7.370e+02  0.00e+00 m   0  480    0  481 0 #N 27,  0, HN 27, 
10593 118.228   7.916   7.394 1 U         -6.230e+02  0.00e+00 m   0 1230    0 1231 0 #N 70,  0, HN 70, 
10594 118.228   6.938   7.394 1 U         -7.170e+02  0.00e+00 m   0 1230    0 1231 0 #N 70,  0, HN 70, 
10597 125.933   4.761   9.040 1 U         -2.220e+02  0.00e+00 m   0 1251    0 1252 0 #N 71,  0, HN 71, 
10598 125.933   4.844   9.040 1 U         -1.001e+03  0.00e+00 m   0 1251    0 1252 0 #N 71,  0, HN 71, 
10599 121.432   4.945   8.176 1 U         -3.510e+02  0.00e+00 m   0  147    0  148 0 #N 8,  0, HN 8, 
10600 121.432   4.847   8.176 1 U         -9.600e+02  0.00e+00 m   0  147    0  148 0 #N 8,  0, HN 8, 
10601 125.933   8.931   9.040 1 U         -5.820e+02  0.00e+00 m   0 1251    0 1252 0 #N 71,  0, HN 71, 
10606 126.725   9.454   9.511 1 U         -1.204e+03  0.00e+00 m   0 1269    0 1270 0 #N 72,  0, HN 72, 
10607 128.384   9.519   9.451 1 U         -3.265e+03  0.00e+00 m   0  105    0  106 0 #N 6,  0, HN 6, 
10608 118.245   8.634   7.926 1 U         -7.530e+02  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
10609 118.245   5.127   7.926 1 U         -6.170e+02  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
10610 118.245   5.385   7.926 1 U         -5.900e+02  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
10611 118.245   4.357   7.926 1 U         -6.980e+02  0.00e+00 m   0 1292    0 1293 0 #N 73,  0, HN 73, 
10614 121.432   5.272   8.176 1 U          0.000e+00  0.00e+00 -   0  147    0  148 0 #N 8,  0, HN 8, 
10615 121.432   5.608   8.176 1 U          0.000e+00  0.00e+00 -   0  147    0  148 0 #N 8,  0, HN 8, 
10616 126.725   4.760   9.511 1 U          0.000e+00  0.00e+00 -   0 1269 1270 1270 0 #N 72, HN 72, HN 72,
;

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      1   .   .   N   15   N    .   .   31        ppm   .   .   .   118     .   .   30802   1
      2   .   .   H   1    H    .   .   11202.7   Hz    .   .   .   4.804   .   .   30802   1
      3   .   .   H   1    HN   .   .   11160.7   Hz    .   .   .   4.804   .   .   30802   1
   stop_
save_