Content for NMR-STAR saveframe, "spectral_peak_list_2"

    save_spectral_peak_list_2
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_2
   _Spectral_peak_list.Entry_ID                         30791
   _Spectral_peak_list.ID                               2
   _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                    14
   _Spectral_peak_list.Experiment_name                  '3D 13C-15N_simNOESY'
   _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                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 N
#INAME 2 H
#INAME 3 HN
#SPECTRUM N15NOESY N H HN
   3 116.112   4.767   8.509 1 U         -8.476e+03  0.00e+00 m   0  103   89  104 0 #N 7, HA 6, HN 7, 
   4 116.112   3.256   8.509 1 U         -1.273e+03  0.00e+00 m   0  103   91  104 0 #N 7, HB2 6, HN 7, 
   5 116.112   2.997   8.509 1 U         -1.532e+03  0.00e+00 m   0  103   92  104 0 #N 7, HB3 6, HN 7, 
   7 125.205   8.509  10.146 1 U         -7.590e+02  0.00e+00 m   0  113  104  114 0 #N 8, HN 7, HN 8, 
   8 125.205   4.501  10.146 1 U         -2.663e+03  0.00e+00 m   0  113  106  114 0 #N 8, HA 7, HN 8, 
   9 125.205   3.759  10.146 1 U         -1.385e+03  0.00e+00 m   0  113  108  114 0 #N 8, HB2 7, HN 8, 
  10 125.205   3.808  10.146 1 U         -1.556e+03  0.00e+00 m   0  113  109  114 0 #N 8, HB3 7, HN 8, 
  11 122.243  10.146   8.950 1 U         -9.350e+02  0.00e+00 m   0  130  114  131 0 #N 9, HN 8, HN 9, 
  12 122.243   4.663   8.950 1 U         -9.191e+03  0.00e+00 m   0  130  116  131 0 #N 9, HA 8, HN 9, 
  13 122.243   3.104   8.950 1 U         -1.297e+03  0.00e+00 m   0  130  118  131 0 #N 9, HB2 8, HN 9, 
  14 122.243   2.736   8.950 1 U         -3.257e+03  0.00e+00 m   0  130  119  131 0 #N 9, HB3 8, HN 9, 
  16 120.888   8.950   8.398 1 U         -1.526e+03  0.00e+00 m   0  148  131  149 0 #N 10, HN 9, HN 10, 
  17 120.888   4.845   8.398 1 U         -1.203e+04  0.00e+00 m   0  148  133  149 0 #N 10, HA 9, HN 10, 
  18 120.888   2.018   8.398 1 U         -8.101e+03  0.00e+00 m   0  148  135  149 0 #N 10, HB2 9, HN 10, 
  19 120.888   2.018   8.398 1 U         -8.101e+03  0.00e+00 m   0  148  136  149 0 #N 10, HB3 9, HN 10, 
  20 120.888   2.680   8.398 1 U         -1.948e+03  0.00e+00 m   0  148  139  149 0 #N 10, HG2 9, HN 10, 
  21 120.888   2.527   8.398 1 U         -2.028e+03  0.00e+00 m   0  148  140  149 0 #N 10, HG3 9, HN 10, 
  22 120.888   2.084   8.398 1 U         -4.800e+03  0.00e+00 m   0  148  142  149 0 #N 10, QE 9, HN 10, 
  23 116.769   8.398   9.045 1 U         -9.110e+02  0.00e+00 m   0  166  149  167 0 #N 11, HN 10, HN 11, 
  24 116.769   3.214   9.045 1 U         -6.162e+03  0.00e+00 m   0  166  151  167 0 #N 11, HA 10, HN 11, 
  25 116.769   1.919   9.045 1 U         -8.810e+02  0.00e+00 m   0  166  153  167 0 #N 11, HB 10, HN 11, 
  26 116.769   1.077   9.045 1 U         -5.126e+03  0.00e+00 m   0  166  154  167 0 #N 11, QG1 10, HN 11, 
  27 116.769   0.978   9.045 1 U         -5.688e+03  0.00e+00 m   0  166  155  167 0 #N 11, QG2 10, HN 11, 
  28 122.309   9.045   8.245 1 U         -8.282e+03  0.00e+00 m   0  173  167  174 0 #N 12, HN 11, HN 12, 
  29 122.309   3.513   8.245 1 U         -2.093e+03  0.00e+00 m   0  173  169  174 0 #N 12, HA1 11, HN 12, 
  30 122.309   4.528   8.245 1 U         -4.516e+03  0.00e+00 m   0  173  170  174 0 #N 12, HA2 11, HN 12, 
  31 114.760   8.245   8.585 1 U         -3.112e+03  0.00e+00 m   0  184  174  185 0 #N 13, HN 12, HN 13, 
  32 114.760   4.694   8.585 1 U         -1.322e+04  0.00e+00 m   0  184  176  185 0 #N 13, HA 12, HN 13, 
  33 114.760   2.845   8.585 1 U         -4.351e+03  0.00e+00 m   0  184  178  185 0 #N 13, HB2 12, HN 13, 
  34 114.760   2.992   8.585 1 U         -3.394e+03  0.00e+00 m   0  184  179  185 0 #N 13, HB3 12, HN 13, 
  35 117.334   8.585   9.285 1 U         -8.900e+02  0.00e+00 m   0  197  185  198 0 #N 14, HN 13, HN 14, 
  36 117.334   5.181   9.285 1 U         -8.964e+03  0.00e+00 m   0  197  187  198 0 #N 14, HA 13, HN 14, 
  37 117.334   3.886   9.285 1 U         -1.763e+03  0.00e+00 m   0  197  189  198 0 #N 14, HB 13, HN 14, 
  38 117.334   1.036   9.285 1 U         -6.106e+03  0.00e+00 m   0  197  190  198 0 #N 14, QG2 13, HN 14, 
  40 121.563   5.088   9.233 1 U         -3.902e+03  0.00e+00 m   0  215  200  216 0 #N 15, HA 14, HN 15, 
  41 121.563   2.136   9.233 1 U         -3.686e+03  0.00e+00 m   0  215  202  216 0 #N 15, HB 14, HN 15, 
  42 121.563   0.373   9.233 1 U         -4.448e+03  0.00e+00 m   0  215  203  216 0 #N 15, QG1 14, HN 15, 
  43 121.563   0.440   9.233 1 U         -4.811e+03  0.00e+00 m   0  215  204  216 0 #N 15, QG2 14, HN 15, 
  44 118.448   9.233   9.618 1 U         -9.670e+02  0.00e+00 m   0  239  216  240 0 #N 16, HN 15, HN 16, 
  45 118.448   5.234   9.618 1 U         -4.777e+03  0.00e+00 m   0  239  218  240 0 #N 16, HA 15, HN 16, 
  46 118.448   3.300   9.618 1 U         -9.000e+02  0.00e+00 m   0  239  220  240 0 #N 16, HB2 15, HN 16, 
  47 118.448   2.767   9.618 1 U         -5.160e+02  0.00e+00 m   0  239  221  240 0 #N 16, HB3 15, HN 16, 
  49 118.448   7.284   9.618 1 U         -1.703e+03  0.00e+00 m   0  239  230  240 0 #N 16, HE3 15, HN 16, 
  54 129.147   9.618   8.830 1 U         -4.310e+02  0.00e+00 m   0  257  240  258 0 #N 17, HN 16, HN 17, 
  55 129.147   5.404   8.830 1 U         -3.902e+03  0.00e+00 m   0  257  242  258 0 #N 17, HA 16, HN 17, 
  56 129.147   1.991   8.830 1 U         -1.452e+03  0.00e+00 m   0  257  244  258 0 #N 17, HB 16, HN 17, 
  57 129.147   0.925   8.830 1 U         -4.726e+03  0.00e+00 m   0  257  245  258 0 #N 17, QG1 16, HN 17, 
  58 129.147   0.823   8.830 1 U         -1.996e+03  0.00e+00 m   0  257  246  258 0 #N 17, QG2 16, HN 17, 
  59 124.771   8.830   8.402 1 U         -6.480e+02  0.00e+00 m   0  283  258  284 0 #N 18, HN 17, HN 18, 
  60 124.771   3.911   8.402 1 U         -3.704e+03  0.00e+00 m   0  283  260  284 0 #N 18, HA 17, HN 18, 
  61 124.771   1.100   8.402 1 U         -8.460e+02  0.00e+00 m   0  283  262  284 0 #N 18, HB2 17, HN 18, 
  62 124.771   0.595   8.402 1 U         -1.854e+03  0.00e+00 m   0  283  263  284 0 #N 18, HB3 17, HN 18, 
  63 124.771   0.892   8.402 1 U         -1.139e+03  0.00e+00 m   0  283  266  284 0 #N 18, HG2 17, HN 18, 
  64 124.771   0.604   8.402 1 U         -1.854e+03  0.00e+00 m   0  283  267  284 0 #N 18, HG3 17, HN 18, 
  67 120.020   4.568   8.033 1 U         -3.361e+03  0.00e+00 m   0  396  385  397 0 #N 24, HA 23, HN 24, 
  68 120.020   2.833   8.033 1 U         -1.758e+03  0.00e+00 m   0  396  387  397 0 #N 24, HB2 23, HN 24, 
  69 120.020   2.795   8.033 1 U         -1.295e+03  0.00e+00 m   0  396  388  397 0 #N 24, HB3 23, HN 24, 
  72 121.774   8.033   8.198 1 U         -8.120e+02  0.00e+00 m   0  418  397  419 0 #N 25, HN 24, HN 25, 
  73 121.774   4.282   8.198 1 U         -7.521e+03  0.00e+00 m   0  418  399  419 0 #N 25, HA 24, HN 25, 
  74 121.774   1.557   8.198 1 U         -3.556e+03  0.00e+00 m   0  418  401  419 0 #N 25, HB2 24, HN 25, 
  75 121.774   1.733   8.198 1 U         -2.013e+03  0.00e+00 m   0  418  402  419 0 #N 25, HB3 24, HN 25, 
  76 121.774   1.557   8.198 1 U         -3.556e+03  0.00e+00 m   0  418  405  419 0 #N 25, HG 24, HN 25, 
  77 121.774   0.857   8.198 1 U         -3.783e+03  0.00e+00 m   0  418  406  419 0 #N 25, QD1 24, HN 25, 
  78 121.774   0.879   8.198 1 U         -3.783e+03  0.00e+00 m   0  418  407  419 0 #N 25, QD2 24, HN 25, 
  79 123.334   5.011   9.789 1 U         -5.045e+03  0.00e+00 m   0  499  478  500 0 #N 29, HA 28, HN 29, 
  80 123.334   2.943   9.789 1 U         -1.817e+03  0.00e+00 m   0  499  480  500 0 #N 29, HB2 28, HN 29, 
  81 123.334   3.144   9.789 1 U         -1.713e+03  0.00e+00 m   0  499  481  500 0 #N 29, HB3 28, HN 29, 
  82 123.334   7.187   9.789 1 U         -6.970e+02  0.00e+00 m   0  499  489  500 0 #N 29, HD1 28, HN 29, 
  83 123.334   7.311   9.789 1 U         -1.709e+03  0.00e+00 m   0  499  490  500 0 #N 29, HE3 28, HN 29, 
  87 109.451   9.789   8.113 1 U         -1.082e+03  0.00e+00 m   0  524  500  525 0 #N 30, HN 29, HN 30, 
  88 109.451   5.095   8.113 1 U         -6.516e+03  0.00e+00 m   0  524  502  525 0 #N 30, HA 29, HN 30, 
  89 109.451   1.982   8.113 1 U         -2.209e+03  0.00e+00 m   0  524  504  525 0 #N 30, HB2 29, HN 30, 
  90 109.451   2.105   8.113 1 U         -1.917e+03  0.00e+00 m   0  524  505  525 0 #N 30, HB3 29, HN 30, 
  91 109.451   1.588   8.113 1 U         -1.937e+03  0.00e+00 m   0  524  508  525 0 #N 30, HG2 29, HN 30, 
  92 109.451   1.550   8.113 1 U         -1.800e+03  0.00e+00 m   0  524  509  525 0 #N 30, HG3 29, HN 30, 
  96 119.358   3.502   9.160 1 U         -4.317e+03  0.00e+00 m   0  531 4036  532 0 #N 32, HA 31, HN 32, 
  97 119.358   1.449   9.160 1 U         -2.025e+03  0.00e+00 m   0  531 4038  532 0 #N 32, HB2 31, HN 32, 
  98 119.358   1.178   9.160 1 U         -1.761e+03  0.00e+00 m   0  531 4039  532 0 #N 32, HB3 31, HN 32, 
  99 119.358   1.477   9.160 1 U         -2.386e+03  0.00e+00 m   0  531 4042  532 0 #N 32, HG2 31, HN 32, 
 103 118.079   9.160   9.199 1 U         -9.203e+03  0.00e+00 m   0  554  532  555 0 #N 33, HN 32, HN 33, 
 104 118.079   4.988   9.199 1 U         -9.714e+03  0.00e+00 m   0  554  534  555 0 #N 33, HA 32, HN 33, 
 105 118.079   3.034   9.199 1 U         -3.868e+03  0.00e+00 m   0  554  536  555 0 #N 33, HB2 32, HN 33, 
 106 118.079   2.263   9.199 1 U         -2.252e+03  0.00e+00 m   0  554  537  555 0 #N 33, HB3 32, HN 33, 
 107 118.079   7.160   9.199 1 U         -3.273e+03  0.00e+00 m   0  554  539  555 0 #N 33, QD 32, HN 33, 
 108 118.079   6.589   9.199 1 U         -7.890e+02  0.00e+00 m   0  554  540  555 0 #N 33, QE 32, HN 33, 
 109 126.110   9.199   9.033 1 U         -1.171e+03  0.00e+00 m   0  567  555  568 0 #N 34, HN 33, HN 34, 
 110 126.110   4.898   9.033 1 U         -6.074e+03  0.00e+00 m   0  567  557  568 0 #N 34, HA 33, HN 34, 
 111 126.110   3.877   9.033 1 U         -1.073e+03  0.00e+00 m   0  567  559  568 0 #N 34, HB 33, HN 34, 
 112 126.110   1.112   9.033 1 U         -6.966e+03  0.00e+00 m   0  567  560  568 0 #N 34, QG2 33, HN 34, 
 113 130.353   9.033   9.618 1 U         -9.470e+02  0.00e+00 m   0  585  568  586 0 #N 35, HN 34, HN 35, 
 114 130.353   3.746   9.618 1 U         -3.377e+03  0.00e+00 m   0  585  570  586 0 #N 35, HA 34, HN 35, 
 115 130.353   2.330   9.618 1 U         -4.630e+02  0.00e+00 m   0  585  572  586 0 #N 35, HB 34, HN 35, 
 116 130.353   0.845   9.618 1 U         -2.226e+03  0.00e+00 m   0  585  573  586 0 #N 35, QG1 34, HN 35, 
 117 130.353   0.759   9.618 1 U         -5.592e+03  0.00e+00 m   0  585  574  586 0 #N 35, QG2 34, HN 35, 
 118 116.951   9.618   7.601 1 U         -7.328e+03  0.00e+00 m   0  607  586  608 0 #N 36, HN 35, HN 36, 
 119 116.951   4.537   7.601 1 U         -2.972e+03  0.00e+00 m   0  607  588  608 0 #N 36, HA 35, HN 36, 
 120 116.951   1.422   7.601 1 U         -5.110e+03  0.00e+00 m   0  607  590  608 0 #N 36, HB2 35, HN 36, 
 121 116.951   1.324   7.601 1 U         -3.193e+03  0.00e+00 m   0  607  591  608 0 #N 36, HB3 35, HN 36, 
 122 116.951   1.520   7.601 1 U         -4.874e+03  0.00e+00 m   0  607  594  608 0 #N 36, HG 35, HN 36, 
 123 116.951   0.738   7.601 1 U         -8.680e+03  0.00e+00 m   0  607  595  608 0 #N 36, QD1 35, HN 36, 
 124 116.951   0.776   7.601 1 U         -1.089e+04  0.00e+00 m   0  607  596  608 0 #N 36, QD2 35, HN 36, 
 125 110.485   7.601   8.733 1 U         -1.682e+03  0.00e+00 m   0  629  608  630 0 #N 37, HN 36, HN 37, 
 126 110.485   4.795   8.733 1 U         -1.809e+04  0.00e+00 m   0  629  610  630 0 #N 37, HA 36, HN 37, 
 127 110.485   1.454   8.733 1 U         -3.072e+03  0.00e+00 m   0  629  612  630 0 #N 37, HB2 36, HN 37, 
 128 110.485   1.661   8.733 1 U         -5.471e+03  0.00e+00 m   0  629  613  630 0 #N 37, HB3 36, HN 37, 
 129 110.485   0.911   8.733 1 U         -5.222e+03  0.00e+00 m   0  629  617  630 0 #N 37, QD1 36, HN 37, 
 130 110.485   1.046   8.733 1 U         -1.056e+04  0.00e+00 m   0  629  618  630 0 #N 37, QD2 36, HN 37, 
 131 115.133   8.733   9.020 1 U         -1.486e+03  0.00e+00 m   0  642  630  643 0 #N 38, HN 37, HN 38, 
 132 115.133   5.378   9.020 1 U         -9.203e+03  0.00e+00 m   0  642  632  643 0 #N 38, HA 37, HN 38, 
 133 115.133   4.546   9.020 1 U         -5.190e+03  0.00e+00 m   0  642  634  643 0 #N 38, HB 37, HN 38, 
 134 115.133   1.236   9.020 1 U         -5.335e+03  0.00e+00 m   0  642  635  643 0 #N 38, QG2 37, HN 38, 
 135 130.693   4.124   7.512 1 U         -6.060e+02  0.00e+00 m   0  671  658  672 0 #N 40, HA 39, HN 40, 
 136 130.693   1.836   7.512 1 U         -1.492e+03  0.00e+00 m   0  671  660  672 0 #N 40, HB2 39, HN 40, 
 137 130.693   2.260   7.512 1 U         -6.820e+02  0.00e+00 m   0  671  661  672 0 #N 40, HB3 39, HN 40, 
 138 130.693   1.840   7.512 1 U         -1.468e+03  0.00e+00 m   0  671  664  672 0 #N 40, HG2 39, HN 40, 
 139 130.693   2.106   7.512 1 U         -5.950e+02  0.00e+00 m   0  671  665  672 0 #N 40, HG3 39, HN 40, 
 140 130.693   3.780   7.512 1 U         -4.660e+02  0.00e+00 m   0  671  667  672 0 #N 40, HD2 39, HN 40, 
 141 130.693   3.896   7.512 1 U         -4.920e+02  0.00e+00 m   0  671  668  672 0 #N 40, HD3 39, HN 40, 
 142 126.151   7.512   7.986 1 U         -5.399e+03  0.00e+00 m   0  684  672  685 0 #N 41, HN 40, HN 41, 
 143 126.151   4.674   7.986 1 U         -2.263e+03  0.00e+00 m   0  684  674  685 0 #N 41, HA 40, HN 41, 
 144 126.151   4.323   7.986 1 U         -1.654e+03  0.00e+00 m   0  684  676  685 0 #N 41, HB 40, HN 41, 
 145 126.151   1.047   7.986 1 U         -3.012e+03  0.00e+00 m   0  684  677  685 0 #N 41, QG2 40, HN 41, 
 146 116.828   7.986   9.373 1 U         -2.229e+03  0.00e+00 m   0  694  685  695 0 #N 42, HN 41, HN 42, 
 147 116.828   5.174   9.373 1 U         -6.017e+03  0.00e+00 m   0  694  687  695 0 #N 42, HA 41, HN 42, 
 148 116.828   1.279   9.373 1 U         -1.043e+04  0.00e+00 m   0  694  688  695 0 #N 42, QB 41, HN 42, 
 149 120.408   9.373   8.478 1 U         -6.880e+02  0.00e+00 m   0  716  695  717 0 #N 43, HN 42, HN 43, 
 150 120.408   5.278   8.478 1 U         -6.596e+03  0.00e+00 m   0  716  697  717 0 #N 43, HA 42, HN 43, 
 151 120.408   1.830   8.478 1 U         -3.931e+03  0.00e+00 m   0  716  699  717 0 #N 43, HB2 42, HN 43, 
 152 120.408   1.667   8.478 1 U         -5.680e+03  0.00e+00 m   0  716  700  717 0 #N 43, HB3 42, HN 43, 
 153 120.408   1.545   8.478 1 U         -2.976e+03  0.00e+00 m   0  716  703  717 0 #N 43, HG 42, HN 43, 
 154 120.408   0.555   8.478 1 U         -4.544e+03  0.00e+00 m   0  716  704  717 0 #N 43, QD1 42, HN 43, 
 155 120.408   0.575   8.478 1 U         -4.544e+03  0.00e+00 m   0  716  705  717 0 #N 43, QD2 42, HN 43, 
 156 118.625   8.478   9.829 1 U         -6.880e+02  0.00e+00 m   0  741  717  742 0 #N 44, HN 43, HN 44, 
 157 118.625   4.678   9.829 1 U         -4.607e+03  0.00e+00 m   0  741  719  742 0 #N 44, HA 43, HN 44, 
 158 118.625   1.231   9.829 1 U         -1.403e+03  0.00e+00 m   0  741  721  742 0 #N 44, HB2 43, HN 44, 
 159 118.625   0.301   9.829 1 U         -5.833e+03  0.00e+00 m   0  741  722  742 0 #N 44, HB3 43, HN 44, 
 160 118.625   0.591   9.829 1 U         -1.735e+03  0.00e+00 m   0  741  725  742 0 #N 44, HG2 43, HN 44, 
 161 118.625   0.360   9.829 1 U         -3.834e+03  0.00e+00 m   0  741  726  742 0 #N 44, HG3 43, HN 44, 
 162 118.625   0.786   9.829 1 U         -1.729e+03  0.00e+00 m   0  741  729  742 0 #N 44, HD2 43, HN 44, 
 163 118.625   0.785   9.829 1 U         -1.729e+03  0.00e+00 m   0  741  730  742 0 #N 44, HD3 43, HN 44, 
 166 120.987   9.829   8.548 1 U         -4.090e+02  0.00e+00 m   0  759  742  760 0 #N 45, HN 44, HN 45, 
 167 120.987   5.083   8.548 1 U         -5.535e+03  0.00e+00 m   0  759  744  760 0 #N 45, HA 44, HN 45, 
 168 120.987   1.961   8.548 1 U         -3.885e+03  0.00e+00 m   0  759  746  760 0 #N 45, HB 44, HN 45, 
 169 120.987   0.316   8.548 1 U         -3.402e+03  0.00e+00 m   0  759  747  760 0 #N 45, QG1 44, HN 45, 
 170 120.987   0.425   8.548 1 U         -4.789e+03  0.00e+00 m   0  759  748  760 0 #N 45, QG2 44, HN 45, 
 171 112.027   8.548   8.291 1 U         -1.120e+03  0.00e+00 m   0  770  760  771 0 #N 46, HN 45, HN 46, 
 172 112.027   4.339   8.291 1 U         -1.187e+04  0.00e+00 m   0  770  762  771 0 #N 46, HA 45, HN 46, 
 173 112.027   2.973   8.291 1 U         -1.775e+03  0.00e+00 m   0  770  764  771 0 #N 46, HB2 45, HN 46, 
 174 112.027   2.495   8.291 1 U         -1.769e+03  0.00e+00 m   0  770  765  771 0 #N 46, HB3 45, HN 46, 
 175 120.119   8.291   7.016 1 U         -6.154e+03  0.00e+00 m   0  777  771  778 0 #N 47, HN 46, HN 47, 
 176 120.119   4.316   7.016 1 U         -6.636e+03  0.00e+00 m   0  777  773  778 0 #N 47, HA1 46, HN 47, 
 177 120.119   3.678   7.016 1 U         -4.107e+03  0.00e+00 m   0  777  774  778 0 #N 47, HA2 46, HN 47, 
 178 120.136   4.096   7.312 1 U         -5.102e+03  0.00e+00 m   0  808  801  809 0 #N 49, HA 48, HN 49, 
 179 120.136   1.353   7.312 1 U         -5.380e+04  0.00e+00 m   0  808  802  809 0 #N 49, QB 48, HN 49, 
 180 118.893   7.312   8.253 1 U         -3.169e+03  0.00e+00 m   0  818  809  819 0 #N 50, HN 49, HN 50, 
 181 118.893   4.351   8.253 1 U         -1.825e+04  0.00e+00 m   0  818  811  819 0 #N 50, HA 49, HN 50, 
 182 118.893   1.356   8.253 1 U         -1.918e+04  0.00e+00 m   0  818  812  819 0 #N 50, QB 49, HN 50, 
 183 124.675   8.253   9.595 1 U         -1.245e+03  0.00e+00 m   0  842  819  843 0 #N 51, HN 50, HN 51, 
 184 124.675   4.284   9.595 1 U         -8.794e+03  0.00e+00 m   0  842  821  843 0 #N 51, HA 50, HN 51, 
 185 124.675   2.984   9.595 1 U         -2.329e+03  0.00e+00 m   0  842  823  843 0 #N 51, HB2 50, HN 51, 
 186 124.675   2.885   9.595 1 U         -2.478e+03  0.00e+00 m   0  842  824  843 0 #N 51, HB3 50, HN 51, 
 188 124.675   7.201   9.595 1 U         -2.056e+03  0.00e+00 m   0  842  833  843 0 #N 51, HE3 50, HN 51, 
 193 127.524   9.595   9.031 1 U         -1.299e+03  0.00e+00 m   0  863  843  864 0 #N 52, HN 51, HN 52, 
 194 127.524   4.360   9.031 1 U         -1.107e+04  0.00e+00 m   0  863  845  864 0 #N 52, HA 51, HN 52, 
 195 127.524   1.681   9.031 1 U         -1.570e+03  0.00e+00 m   0  863  847  864 0 #N 52, HB 51, HN 52, 
 196 127.524   1.036   9.031 1 U         -6.716e+03  0.00e+00 m   0  863  848  864 0 #N 52, QG2 51, HN 52, 
 197 127.524   1.475   9.031 1 U         -7.740e+02  0.00e+00 m   0  863  854  864 0 #N 52, HG12 51, HN 52, 
 198 127.524   1.139   9.031 1 U         -9.210e+02  0.00e+00 m   0  863  855  864 0 #N 52, HG13 51, HN 52, 
 199 127.524   0.677   9.031 1 U         -1.492e+03  0.00e+00 m   0  863  857  864 0 #N 52, QD1 51, HN 52, 
 200 126.220   9.031   7.973 1 U         -3.052e+03  0.00e+00 m   0  880  864  881 0 #N 53, HN 52, HN 53, 
 201 126.220   4.449   7.973 1 U         -8.510e+03  0.00e+00 m   0  880  866  881 0 #N 53, HA 52, HN 53, 
 202 126.220   3.006   7.973 1 U         -4.101e+03  0.00e+00 m   0  880  868  881 0 #N 53, HB2 52, HN 53, 
 203 126.220   2.963   7.973 1 U         -3.618e+03  0.00e+00 m   0  880  869  881 0 #N 53, HB3 52, HN 53, 
 205 119.934   7.973   9.546 1 U         -1.691e+03  0.00e+00 m   0  890  881  891 0 #N 54, HN 53, HN 54, 
 206 119.934   3.761   9.546 1 U         -1.245e+03  0.00e+00 m   0  890  883  891 0 #N 54, HA 53, HN 54, 
 207 119.934   1.239   9.546 1 U         -1.450e+04  0.00e+00 m   0  890  884  891 0 #N 54, QB 53, HN 54, 
 208 116.990   9.546   8.347 1 U         -4.794e+03  0.00e+00 m   0  900  891  901 0 #N 55, HN 54, HN 55, 
 209 116.990   4.300   8.347 1 U         -5.214e+03  0.00e+00 m   0  900  893  901 0 #N 55, HA 54, HN 55, 
 210 116.990   1.256   8.347 1 U         -9.453e+03  0.00e+00 m   0  900  894  901 0 #N 55, QB 54, HN 55, 
 211 115.885   8.347   7.591 1 U         -8.601e+03  0.00e+00 m   0  917  901  918 0 #N 56, HN 55, HN 56, 
 212 115.885   4.937   7.591 1 U         -2.859e+03  0.00e+00 m   0  917  903  918 0 #N 56, HA 55, HN 56, 
 213 115.885   3.247   7.591 1 U         -1.664e+03  0.00e+00 m   0  917  905  918 0 #N 56, HB2 55, HN 56, 
 214 115.885   3.667   7.591 1 U         -1.492e+03  0.00e+00 m   0  917  906  918 0 #N 56, HB3 55, HN 56, 
 215 115.885   6.937   7.591 1 U         -5.850e+02  0.00e+00 m   0  917  914  918 0 #N 56, HD2 55, HN 56, 
 216 123.532   7.591   8.981 1 U         -6.770e+02  0.00e+00 m   0  935  918  936 0 #N 57, HN 56, HN 57, 
 217 123.532   5.535   8.981 1 U         -3.213e+03  0.00e+00 m   0  935  920  936 0 #N 57, HA 56, HN 57, 
 218 123.532   1.958   8.981 1 U         -1.210e+03  0.00e+00 m   0  935  922  936 0 #N 57, HB 56, HN 57, 
 219 123.532   0.600   8.981 1 U         -3.104e+03  0.00e+00 m   0  935  923  936 0 #N 57, QG1 56, HN 57, 
 220 123.532   0.765   8.981 1 U         -1.991e+03  0.00e+00 m   0  935  924  936 0 #N 57, QG2 56, HN 57, 
 221 124.964   8.981   8.959 1 U         -8.987e+03  0.00e+00 m   0  960  936  961 0 #N 58, HN 57, HN 58, 
 222 124.964   4.821   8.959 1 U         -9.044e+03  0.00e+00 m   0  960  938  961 0 #N 58, HA 57, HN 58, 
 223 124.964   1.448   8.959 1 U         -2.280e+03  0.00e+00 m   0  960  940  961 0 #N 58, HB2 57, HN 58, 
 224 124.964   1.360   8.959 1 U         -2.119e+03  0.00e+00 m   0  960  941  961 0 #N 58, HB3 57, HN 58, 
 225 124.964   0.912   8.959 1 U         -1.488e+03  0.00e+00 m   0  960  945  961 0 #N 58, HG3 57, HN 58, 
 226 124.964   0.782   8.959 1 U         -1.369e+03  0.00e+00 m   0  960  946  961 0 #N 58, HG2 57, HN 58, 
 227 124.964   0.793   8.959 1 U         -1.369e+03  0.00e+00 m   0  960  948  961 0 #N 58, HD2 57, HN 58, 
 228 124.964   0.736   8.959 1 U         -7.370e+02  0.00e+00 m   0  960  949  961 0 #N 58, HD3 57, HN 58, 
 229 124.964   1.751   8.959 1 U         -3.840e+02  0.00e+00 m   0  960  952  961 0 #N 58, HE2 57, HN 58, 
 230 124.964   2.150   8.959 1 U         -5.150e+02  0.00e+00 m   0  960  953  961 0 #N 58, HE3 57, HN 58, 
 231 121.813   8.959   7.931 1 U         -1.806e+03  0.00e+00 m   0  970  961  971 0 #N 59, HN 58, HN 59, 
 232 121.813   4.493   7.931 1 U         -6.869e+03  0.00e+00 m   0  970  963  971 0 #N 59, HA 58, HN 59, 
 233 121.813   1.599   7.931 1 U         -8.601e+03  0.00e+00 m   0  970  964  971 0 #N 59, QB 58, HN 59, 
 234 108.630   4.306   8.526 1 U         -4.914e+03  0.00e+00 m   0 1007  994 1008 0 #N 62, HA 61, HN 62, 
 235 108.630   1.862   8.526 1 U         -1.761e+03  0.00e+00 m   0 1007  996 1008 0 #N 62, HB2 61, HN 62, 
 236 108.630   2.140   8.526 1 U         -1.255e+03  0.00e+00 m   0 1007  997 1008 0 #N 62, HB3 61, HN 62, 
 237 108.630   1.871   8.526 1 U         -1.212e+03  0.00e+00 m   0 1007 1000 1008 0 #N 62, HG2 61, HN 62, 
 238 108.630   1.932   8.526 1 U         -3.110e+02  0.00e+00 m   0 1007 1001 1008 0 #N 62, HG3 61, HN 62, 
 240 108.630   3.614   8.526 1 U         -7.740e+02  0.00e+00 m   0 1007 1004 1008 0 #N 62, HD3 61, HN 62, 
 242 108.700   3.882   8.142 1 U         -2.944e+03  0.00e+00 m   0 1014 1010 1015 0 #N 63, HA1 62, HN 63, 
 243 108.700   3.951   8.142 1 U         -1.130e+04  0.00e+00 m   0 1014 1011 1015 0 #N 63, HA2 62, HN 63, 
 244 109.030   8.142   8.230 1 U          3.800e+01  0.00e+00 m   0 1021 1015 1022 0 #N 64, HN 63, HN 64, 
 245 109.030   3.979   8.230 1 U         -7.078e+03  0.00e+00 m   0 1021 1017 1022 0 #N 64, HA1 63, HN 64, 
 246 109.030   3.979   8.230 1 U         -7.078e+03  0.00e+00 m   0 1021 1018 1022 0 #N 64, HA2 63, HN 64, 
 247 116.093   4.336   8.403 1 U          0.000e+00  0.00e+00 m   0 1044 1031 1045 0 #N 66, HA 65, HN 66, 
 248 116.093   2.158   8.403 1 U          1.330e+02  0.00e+00 m   0 1044 1033 1045 0 #N 66, HB2 65, HN 66, 
 254 116.979   8.403   8.220 1 U         -2.000e+01  0.00e+00 m   0 1054 1045 1055 0 #N 67, HN 66, HN 67, 
 255 116.979   4.360   8.220 1 U         -6.940e+02  0.00e+00 m   0 1054 1047 1055 0 #N 67, HA 66, HN 67, 
 256 116.979   3.752   8.220 1 U         -1.000e+02  0.00e+00 m   0 1054 1049 1055 0 #N 67, HB2 66, HN 67, 
 257 116.979   3.687   8.220 1 U         -3.290e+02  0.00e+00 m   0 1054 1050 1055 0 #N 67, HB3 66, HN 67, 
 258 120.079   8.220   8.089 1 U         -2.540e+02  0.00e+00 m   0 1064 1055 1065 0 #N 68, HN 67, HN 68, 
 259 120.079   4.375   8.089 1 U          2.780e+02  0.00e+00 m   0 1064 1057 1065 0 #N 68, HA 67, HN 68, 
 260 120.079   4.256   8.089 1 U         -8.140e+02  0.00e+00 m   0 1064 1059 1065 0 #N 68, HB2 67, HN 68, 
 261 120.079   4.300   8.089 1 U         -3.760e+02  0.00e+00 m   0 1064 1060 1065 0 #N 68, HB3 67, HN 68, 
 262 121.919   8.089   7.992 1 U         -4.930e+02  0.00e+00 m   0 1090 1065 1091 0 #N 69, HN 68, HN 69, 
 263 121.919   4.348   7.992 1 U         -1.044e+04  0.00e+00 m   0 1090 1067 1091 0 #N 69, HA 68, HN 69, 
 264 121.919   1.851   7.992 1 U         -1.739e+03  0.00e+00 m   0 1090 1069 1091 0 #N 69, HB2 68, HN 69, 
 265 121.919   1.719   7.992 1 U         -2.317e+03  0.00e+00 m   0 1090 1070 1091 0 #N 69, HB3 68, HN 69, 
 266 121.919   1.606   7.992 1 U         -7.896e+03  0.00e+00 m   0 1090 1075 1091 0 #N 69, QG 68, HN 69, 
 268 115.904   7.992   8.200 1 U         -2.422e+03  0.00e+00 m   0 1112 1091 1113 0 #N 70, HN 69, HN 70, 
 269 115.904   4.359   8.200 1 U         -8.271e+03  0.00e+00 m   0 1112 1093 1113 0 #N 70, HA 69, HN 70, 
 270 115.904   1.570   8.200 1 U         -3.317e+03  0.00e+00 m   0 1112 1095 1113 0 #N 70, HB2 69, HN 70, 
 271 115.904   1.309   8.200 1 U         -2.514e+03  0.00e+00 m   0 1112 1096 1113 0 #N 70, HB3 69, HN 70, 
 272 115.904   1.550   8.200 1 U         -3.112e+03  0.00e+00 m   0 1112 1099 1113 0 #N 70, HG 69, HN 70, 
 273 115.904   0.801   8.200 1 U         -2.699e+03  0.00e+00 m   0 1112 1100 1113 0 #N 70, QD1 69, HN 70, 
 274 115.904   0.762   8.200 1 U         -5.045e+03  0.00e+00 m   0 1112 1101 1113 0 #N 70, QD2 69, HN 70, 
 275 124.063   8.200   8.105 1 U         -6.530e+02  0.00e+00 m   0 1125 1113 1126 0 #N 71, HN 70, HN 71, 
 276 124.063   4.441   8.105 1 U         -2.289e+03  0.00e+00 m   0 1125 1115 1126 0 #N 71, HA 70, HN 71, 
 277 124.063   4.054   8.105 1 U         -9.240e+02  0.00e+00 m   0 1125 1117 1126 0 #N 71, HB 70, HN 71, 
 278 124.063   1.199   8.105 1 U         -2.053e+03  0.00e+00 m   0 1125 1118 1126 0 #N 71, QG2 70, HN 71, 
 280 118.953   4.932   9.232 1 U         -1.602e+03  0.00e+00 m   0 1149 1128 1150 0 #N 72, HA 71, HN 72, 
 281 118.953   3.253   9.232 1 U         -2.490e+02  0.00e+00 m   0 1149 1130 1150 0 #N 72, HB2 71, HN 72, 
 282 118.953   2.980   9.232 1 U         -9.200e+02  0.00e+00 m   0 1149 1131 1150 0 #N 72, HB3 71, HN 72, 
 283 118.953   7.172   9.232 1 U         -9.850e+02  0.00e+00 m   0 1149 1139 1150 0 #N 72, HD1 71, HN 72, 
 290 122.126   4.749   8.829 1 U         -3.686e+03  0.00e+00 m   0 1175 1152 1176 0 #N 73, HA 72, HN 73, 
 291 122.126   1.808   8.829 1 U         -3.297e+03  0.00e+00 m   0 1175 1154 1176 0 #N 73, HB2 72, HN 73, 
 292 122.126   1.811   8.829 1 U         -3.297e+03  0.00e+00 m   0 1175 1155 1176 0 #N 73, HB3 72, HN 73, 
 293 122.126   1.664   8.829 1 U         -1.120e+03  0.00e+00 m   0 1175 1158 1176 0 #N 73, HG2 72, HN 73, 
 294 122.126   1.540   8.829 1 U         -1.212e+03  0.00e+00 m   0 1175 1159 1176 0 #N 73, HG3 72, HN 73, 
 295 122.126   3.190   8.829 1 U         -3.540e+02  0.00e+00 m   0 1175 1162 1176 0 #N 73, HD2 72, HN 73, 
 296 122.126   3.180   8.829 1 U         -3.540e+02  0.00e+00 m   0 1175 1163 1176 0 #N 73, HD3 72, HN 73, 
 297 127.607   8.829   9.321 1 U         -4.460e+02  0.00e+00 m   0 1193 1176 1194 0 #N 74, HN 73, HN 74, 
 298 127.607   4.617   9.321 1 U         -1.556e+03  0.00e+00 m   0 1193 1178 1194 0 #N 74, HA 73, HN 74, 
 299 127.607   2.117   9.321 1 U         -1.707e+03  0.00e+00 m   0 1193 1180 1194 0 #N 74, HB 73, HN 74, 
 300 127.607   0.983   9.321 1 U         -3.880e+03  0.00e+00 m   0 1193 1181 1194 0 #N 74, QG1 73, HN 74, 
 301 127.607   0.958   9.321 1 U         -3.880e+03  0.00e+00 m   0 1193 1182 1194 0 #N 74, QG2 73, HN 74, 
 303 125.323   4.764   8.904 1 U         -4.351e+03  0.00e+00 m   0 1211 1196 1212 0 #N 75, HA 74, HN 75, 
 304 125.323   2.130   8.904 1 U         -1.295e+03  0.00e+00 m   0 1211 1198 1212 0 #N 75, HB2 74, HN 75, 
 305 125.323   1.949   8.904 1 U         -1.281e+03  0.00e+00 m   0 1211 1199 1212 0 #N 75, HB3 74, HN 75, 
 306 125.323   2.320   8.904 1 U         -1.439e+03  0.00e+00 m   0 1211 1202 1212 0 #N 75, HG2 74, HN 75, 
 307 125.323   2.323   8.904 1 U         -1.439e+03  0.00e+00 m   0 1211 1203 1212 0 #N 75, HG3 74, HN 75, 
 311 118.632   4.407   8.643 1 U         -5.993e+03  0.00e+00 m   0 1237 1214 1238 0 #N 76, HA 75, HN 76, 
 312 118.632   1.999   8.643 1 U         -2.711e+03  0.00e+00 m   0 1237 1216 1238 0 #N 76, HB2 75, HN 76, 
 313 118.632   1.820   8.643 1 U         -3.321e+03  0.00e+00 m   0 1237 1217 1238 0 #N 76, HB3 75, HN 76, 
 314 118.632   1.627   8.643 1 U         -1.729e+03  0.00e+00 m   0 1237 1220 1238 0 #N 76, HG2 75, HN 76, 
 315 118.632   1.618   8.643 1 U         -2.150e+03  0.00e+00 m   0 1237 1221 1238 0 #N 76, HG3 75, HN 76, 
 316 118.632   3.220   8.643 1 U         -1.127e+03  0.00e+00 m   0 1237 1224 1238 0 #N 76, HD2 75, HN 76, 
 317 118.632   3.220   8.643 1 U         -1.127e+03  0.00e+00 m   0 1237 1225 1238 0 #N 76, HD3 75, HN 76, 
 319 119.693   4.215   8.294 1 U         -7.400e+02  0.00e+00 m   0 1265 1250 1266 0 #N 78, HA 77, HN 78, 
 326 115.336   4.411   8.128 1 U         -2.468e+03  0.00e+00 m   0 1295 1282 1296 0 #N 80, HA 79, HN 80, 
 327 115.336   1.804   8.128 1 U         -1.411e+03  0.00e+00 m   0 1295 1284 1296 0 #N 80, HB2 79, HN 80, 
 328 115.336   2.400   8.128 1 U         -6.020e+02  0.00e+00 m   0 1295 1285 1296 0 #N 80, HB3 79, HN 80, 
 329 115.336   2.115   8.128 1 U         -1.289e+03  0.00e+00 m   0 1295 1288 1296 0 #N 80, HG2 79, HN 80, 
 330 115.336   1.966   8.128 1 U         -3.868e+03  0.00e+00 m   0 1295 1289 1296 0 #N 80, HG3 79, HN 80, 
 333 119.997   8.128   7.705 1 U         -4.397e+03  0.00e+00 m   0 1317 1296 1318 0 #N 81, HN 80, HN 81, 
 334 119.997   4.389   7.705 1 U         -1.965e+03  0.00e+00 m   0 1317 1298 1318 0 #N 81, HA 80, HN 81, 
 335 119.997   1.957   7.705 1 U         -1.923e+03  0.00e+00 m   0 1317 1300 1318 0 #N 81, HB2 80, HN 81, 
 336 119.997   1.957   7.705 1 U         -1.923e+03  0.00e+00 m   0 1317 1301 1318 0 #N 81, HB3 80, HN 81, 
 337 119.997   1.588   7.705 1 U         -4.084e+03  0.00e+00 m   0 1317 1304 1318 0 #N 81, HG 80, HN 81, 
 338 119.997   0.592   7.705 1 U         -1.775e+03  0.00e+00 m   0 1317 1305 1318 0 #N 81, QD1 80, HN 81, 
 339 119.997   0.879   7.705 1 U         -2.170e+03  0.00e+00 m   0 1317 1306 1318 0 #N 81, QD2 80, HN 81, 
 340 118.802   7.705   8.628 1 U         -6.170e+02  0.00e+00 m   0 1342 1318 1343 0 #N 82, HN 81, HN 82, 
 341 118.802   5.559   8.628 1 U         -2.096e+03  0.00e+00 m   0 1342 1320 1343 0 #N 82, HA 81, HN 82, 
 342 118.802   1.765   8.628 1 U         -2.578e+03  0.00e+00 m   0 1342 1322 1343 0 #N 82, HB2 81, HN 82, 
 343 118.802   1.576   8.628 1 U         -1.979e+03  0.00e+00 m   0 1342 1323 1343 0 #N 82, HB3 81, HN 82, 
 344 118.802   1.197   8.628 1 U         -1.164e+03  0.00e+00 m   0 1342 1326 1343 0 #N 82, HG2 81, HN 82, 
 345 118.802   1.260   8.628 1 U         -1.542e+03  0.00e+00 m   0 1342 1327 1343 0 #N 82, HG3 81, HN 82, 
 346 118.802   1.615   8.628 1 U         -1.991e+03  0.00e+00 m   0 1342 1330 1343 0 #N 82, HD2 81, HN 82, 
 347 118.802   1.615   8.628 1 U         -1.991e+03  0.00e+00 m   0 1342 1331 1343 0 #N 82, HD3 81, HN 82, 
 350 122.168   8.628   8.741 1 U         -1.116e+03  0.00e+00 m   0 1363 1343 1364 0 #N 83, HN 82, HN 83, 
 351 122.168   4.867   8.741 1 U         -3.004e+03  0.00e+00 m   0 1363 1345 1364 0 #N 83, HA 82, HN 83, 
 352 122.168   1.831   8.741 1 U         -2.494e+03  0.00e+00 m   0 1363 1347 1364 0 #N 83, HB 82, HN 83, 
 353 122.168   0.934   8.741 1 U         -4.635e+03  0.00e+00 m   0 1363 1348 1364 0 #N 83, QG2 82, HN 83, 
 354 122.168   1.261   8.741 1 U         -5.480e+02  0.00e+00 m   0 1363 1354 1364 0 #N 83, HG12 82, HN 83, 
 355 122.168   1.085   8.741 1 U         -5.550e+02  0.00e+00 m   0 1363 1355 1364 0 #N 83, HG13 82, HN 83, 
 356 122.168   0.900   8.741 1 U         -3.430e+03  0.00e+00 m   0 1363 1357 1364 0 #N 83, QD1 82, HN 83, 
 357 125.993   8.741   9.109 1 U         -3.720e+02  0.00e+00 m   0 1389 1364 1390 0 #N 84, HN 83, HN 84, 
 358 125.993   5.241   9.109 1 U         -1.218e+03  0.00e+00 m   0 1389 1366 1390 0 #N 84, HA 83, HN 84, 
 359 125.993   1.736   9.109 1 U         -1.218e+03  0.00e+00 m   0 1389 1368 1390 0 #N 84, HB2 83, HN 84, 
 360 125.993   1.731   9.109 1 U         -1.218e+03  0.00e+00 m   0 1389 1369 1390 0 #N 84, HB3 83, HN 84, 
 361 125.993   1.534   9.109 1 U         -2.087e+03  0.00e+00 m   0 1389 1372 1390 0 #N 84, HG2 83, HN 84, 
 362 125.993   1.401   9.109 1 U         -3.830e+02  0.00e+00 m   0 1389 1373 1390 0 #N 84, HG3 83, HN 84, 
 365 114.993   9.109   9.128 1 U         -2.482e+03  0.00e+00 m   0 1411 1390 1412 0 #N 85, HN 84, HN 85, 
 366 114.993   5.545   9.128 1 U         -1.558e+03  0.00e+00 m   0 1411 1392 1412 0 #N 85, HA 84, HN 85, 
 367 114.993   1.539   9.128 1 U         -1.815e+03  0.00e+00 m   0 1411 1394 1412 0 #N 85, HB2 84, HN 85, 
 368 114.993   1.539   9.128 1 U         -1.815e+03  0.00e+00 m   0 1411 1395 1412 0 #N 85, HB3 84, HN 85, 
 369 114.993   1.534   9.128 1 U         -1.815e+03  0.00e+00 m   0 1411 1398 1412 0 #N 85, HG 84, HN 85, 
 370 114.993   0.540   9.128 1 U         -8.470e+02  0.00e+00 m   0 1411 1399 1412 0 #N 85, QD1 84, HN 85, 
 371 114.993   0.647   9.128 1 U         -1.255e+03  0.00e+00 m   0 1411 1400 1412 0 #N 85, QD2 84, HN 85, 
 372 125.379   9.128   8.319 1 U         -7.400e+02  0.00e+00 m   0 1424 1412 1425 0 #N 86, HN 85, HN 86, 
 373 125.379   5.464   8.319 1 U         -1.877e+03  0.00e+00 m   0 1424 1414 1425 0 #N 86, HA 85, HN 86, 
 374 125.379   4.111   8.319 1 U         -9.880e+02  0.00e+00 m   0 1424 1416 1425 0 #N 86, HB 85, HN 86, 
 375 125.379   1.180   8.319 1 U         -1.234e+03  0.00e+00 m   0 1424 1417 1425 0 #N 86, QG2 85, HN 86, 
 376 123.730   8.319   8.285 1 U         -1.120e+04  0.00e+00 m   0 1450 1425 1451 0 #N 87, HN 86, HN 87, 
 377 123.730   4.280   8.285 1 U         -5.752e+03  0.00e+00 m   0 1450 1427 1451 0 #N 87, HA 86, HN 87, 
 378 123.730   1.006   8.285 1 U         -1.076e+03  0.00e+00 m   0 1450 1429 1451 0 #N 87, HB2 86, HN 87, 
 379 123.730   0.532   8.285 1 U         -2.175e+03  0.00e+00 m   0 1450 1430 1451 0 #N 87, HB3 86, HN 87, 
 380 123.730   0.554   8.285 1 U         -2.175e+03  0.00e+00 m   0 1450 1433 1451 0 #N 87, HG2 86, HN 87, 
 381 123.730   0.480   8.285 1 U         -1.518e+03  0.00e+00 m   0 1450 1434 1451 0 #N 87, HG3 86, HN 87, 
 383 123.730   2.048   8.285 1 U         -7.220e+02  0.00e+00 m   0 1450 1438 1451 0 #N 87, HD3 86, HN 87, 
 384 127.253   8.285   8.440 1 U         -2.158e+03  0.00e+00 m   0 1465 1451 1466 0 #N 88, HN 87, HN 88, 
 385 127.253   4.276   8.440 1 U         -2.028e+04  0.00e+00 m   0 1465 1453 1466 0 #N 88, HA 87, HN 88, 
 386 127.253   1.945   8.440 1 U         -6.588e+03  0.00e+00 m   0 1465 1455 1466 0 #N 88, HB2 87, HN 88, 
 387 127.253   1.741   8.440 1 U         -4.476e+03  0.00e+00 m   0 1465 1456 1466 0 #N 88, HB3 87, HN 88, 
 388 127.253   2.133   8.440 1 U         -5.238e+03  0.00e+00 m   0 1465 1459 1466 0 #N 88, HG2 87, HN 88, 
 389 127.253   2.131   8.440 1 U         -5.238e+03  0.00e+00 m   0 1465 1460 1466 0 #N 88, HG3 87, HN 88, 
 390 109.973   4.410   8.389 1 U         -1.107e+03  0.00e+00 m   0 1638 1623 1639 0 #N 210, HA 209, HN 210, 
 391 109.973   1.919   8.389 1 U         -3.100e+02  0.00e+00 m   0 1638 1625 1639 0 #N 210, HB2 209, HN 210, 
 392 109.973   2.067   8.389 1 U         -3.740e+02  0.00e+00 m   0 1638 1626 1639 0 #N 210, HB3 209, HN 210, 
 395 121.114   8.389   8.217 1 U         -1.729e+03  0.00e+00 m   0 1645 1639 1646 0 #N 211, HN 210, HN 211, 
 396 121.114   3.944   8.217 1 U         -3.261e+03  0.00e+00 m   0 1645 1641 1646 0 #N 211, HA1 210, HN 211, 
 397 121.114   3.948   8.217 1 U         -3.834e+03  0.00e+00 m   0 1645 1642 1646 0 #N 211, HA2 210, HN 211, 
 399 121.704   4.292   8.454 1 U         -6.106e+03  0.00e+00 m   0 1670 1648 1671 0 #N 212, HA 211, HN 212, 
 400 121.704   1.752   8.454 1 U         -6.720e+02  0.00e+00 m   0 1670 1650 1671 0 #N 212, HB2 211, HN 212, 
 401 121.704   1.857   8.454 1 U         -6.140e+02  0.00e+00 m   0 1670 1651 1671 0 #N 212, HB3 211, HN 212, 
 402 121.704   1.680   8.454 1 U         -7.030e+02  0.00e+00 m   0 1670 1654 1671 0 #N 212, HG2 211, HN 212, 
 404 125.602   8.454   8.379 1 U          2.300e+01  0.00e+00 m   0 1688 1671 1689 0 #N 213, HN 212, HN 213, 
 405 125.602   4.305   8.379 1 U         -3.092e+03  0.00e+00 m   0 1688 1673 1689 0 #N 213, HA 212, HN 213, 
 406 125.602   1.954   8.379 1 U         -3.640e+02  0.00e+00 m   0 1688 1675 1689 0 #N 213, HB2 212, HN 213, 
 407 125.602   2.086   8.379 1 U         -4.260e+02  0.00e+00 m   0 1688 1676 1689 0 #N 213, HB3 212, HN 213, 
 408 125.602   2.360   8.379 1 U         -1.970e+02  0.00e+00 m   0 1688 1679 1689 0 #N 213, HG2 212, HN 213, 
 409 125.602   2.360   8.379 1 U         -1.970e+02  0.00e+00 m   0 1688 1680 1689 0 #N 213, HG3 212, HN 213, 
 413 115.008   4.297   8.247 1 U         -2.851e+03  0.00e+00 m   0 1698 1691 1699 0 #N 214, HA 213, HN 214, 
 414 115.008   1.379   8.247 1 U         -7.320e+02  0.00e+00 m   0 1698 1692 1699 0 #N 214, QB 213, HN 214, 
 415 125.960   8.247   8.294 1 U         -3.750e+02  0.00e+00 m   0 1708 1699 1709 0 #N 215, HN 214, HN 215, 
 416 125.960   4.395   8.294 1 U         -2.442e+03  0.00e+00 m   0 1708 1701 1709 0 #N 215, HA 214, HN 215, 
 417 125.960   3.856   8.294 1 U         -5.260e+02  0.00e+00 m   0 1708 1703 1709 0 #N 215, HB2 214, HN 215, 
 418 125.960   3.856   8.294 1 U         -5.260e+02  0.00e+00 m   0 1708 1704 1709 0 #N 215, HB3 214, HN 215, 
 420 114.796   4.326   8.180 1 U         -5.085e+03  0.00e+00 m   0 1718 1711 1719 0 #N 216, HA 215, HN 216, 
 421 114.796   1.328   8.180 1 U         -1.840e+03  0.00e+00 m   0 1718 1712 1719 0 #N 216, QB 215, HN 216, 
 422 121.991   8.180   8.117 1 U         -5.206e+03  0.00e+00 m   0 1728 1719 1729 0 #N 217, HN 216, HN 217, 
 423 121.991   4.402   8.117 1 U         -1.015e+04  0.00e+00 m   0 1728 1721 1729 0 #N 217, HA 216, HN 217, 
 424 121.991   3.777   8.117 1 U         -2.606e+03  0.00e+00 m   0 1728 1723 1729 0 #N 217, HB2 216, HN 217, 
 425 121.991   3.784   8.117 1 U         -2.646e+03  0.00e+00 m   0 1728 1724 1729 0 #N 217, HB3 216, HN 217, 
 426 122.317   8.117   8.293 1 U         -7.760e+02  0.00e+00 m   0 1751 1729 1752 0 #N 218, HN 217, HN 218, 
 427 122.317   4.585   8.293 1 U         -2.481e+04  0.00e+00 m   0 1751 1731 1752 0 #N 218, HA 217, HN 218, 
 428 122.317   2.917   8.293 1 U         -3.828e+03  0.00e+00 m   0 1751 1733 1752 0 #N 218, HB2 217, HN 218, 
 429 122.317   3.057   8.293 1 U         -4.090e+03  0.00e+00 m   0 1751 1734 1752 0 #N 218, HB3 217, HN 218, 
 430 122.317   7.068   8.293 1 U         -2.735e+03  0.00e+00 m   0 1751 1736 1752 0 #N 218, QD 217, HN 218, 
 432 116.367   8.293   8.178 1 U         -1.085e+03  0.00e+00 m   0 1762 1752 1763 0 #N 219, HN 218, HN 219, 
 433 116.367   4.631   8.178 1 U         -2.111e+04  0.00e+00 m   0 1762 1754 1763 0 #N 219, HA 218, HN 219, 
 434 116.367   2.573   8.178 1 U         -3.265e+03  0.00e+00 m   0 1762 1756 1763 0 #N 219, HB2 218, HN 219, 
 435 116.367   2.681   8.178 1 U         -3.024e+03  0.00e+00 m   0 1762 1757 1763 0 #N 219, HB3 218, HN 219, 
 436 122.816   8.178   8.508 1 U         -2.683e+03  0.00e+00 m   0 1772 1763 1773 0 #N 220, HN 219, HN 220, 
 437 122.816   4.394   8.508 1 U         -2.365e+04  0.00e+00 m   0 1772 1765 1773 0 #N 220, HA 219, HN 220, 
 438 122.816   3.847   8.508 1 U         -4.470e+03  0.00e+00 m   0 1772 1767 1773 0 #N 220, HB2 219, HN 220, 
 439 122.816   3.910   8.508 1 U         -5.158e+03  0.00e+00 m   0 1772 1768 1773 0 #N 220, HB3 219, HN 220, 
 440 121.263   8.508   8.319 1 U         -6.098e+03  0.00e+00 m   0 1787 1773 1788 0 #N 221, HN 220, HN 221, 
 441 121.263   4.264   8.319 1 U         -4.081e+04  0.00e+00 m   0 1787 1775 1788 0 #N 221, HA 220, HN 221, 
 442 121.263   1.940   8.319 1 U         -2.793e+04  0.00e+00 m   0 1787 1777 1788 0 #N 221, HB2 220, HN 221, 
 443 121.263   2.045   8.319 1 U         -1.975e+04  0.00e+00 m   0 1787 1778 1788 0 #N 221, HB3 220, HN 221, 
 444 121.263   2.231   8.319 1 U         -1.779e+04  0.00e+00 m   0 1787 1781 1788 0 #N 221, HG2 220, HN 221, 
 445 121.263   2.296   8.319 1 U         -1.395e+04  0.00e+00 m   0 1787 1782 1788 0 #N 221, HG3 220, HN 221, 
 446 122.698   8.319   8.493 1 U         -2.570e+03  0.00e+00 m   0 1802 1788 1803 0 #N 222, HN 221, HN 222, 
 447 122.698   4.276   8.493 1 U         -3.213e+04  0.00e+00 m   0 1802 1790 1803 0 #N 222, HA 221, HN 222, 
 448 122.698   1.910   8.493 1 U         -1.545e+04  0.00e+00 m   0 1802 1792 1803 0 #N 222, HB2 221, HN 222, 
 449 122.698   2.058   8.493 1 U         -2.455e+04  0.00e+00 m   0 1802 1793 1803 0 #N 222, HB3 221, HN 222, 
 450 122.698   2.230   8.493 1 U         -1.813e+04  0.00e+00 m   0 1802 1796 1803 0 #N 222, HG2 221, HN 222, 
 451 122.698   2.280   8.493 1 U         -1.932e+04  0.00e+00 m   0 1802 1797 1803 0 #N 222, HG3 221, HN 222, 
 452 122.477   8.493   8.405 1 U         -6.990e+03  0.00e+00 m   0 1817 1803 1818 0 #N 223, HN 222, HN 223, 
 453 122.477   4.245   8.405 1 U         -4.332e+04  0.00e+00 m   0 1817 1805 1818 0 #N 223, HA 222, HN 223, 
 454 122.477   2.037   8.405 1 U         -2.131e+04  0.00e+00 m   0 1817 1807 1818 0 #N 223, HB2 222, HN 223, 
 455 122.477   1.949   8.405 1 U         -2.503e+04  0.00e+00 m   0 1817 1808 1818 0 #N 223, HB3 222, HN 223, 
 456 122.477   2.231   8.405 1 U         -1.556e+04  0.00e+00 m   0 1817 1811 1818 0 #N 223, HG2 222, HN 223, 
 457 122.477   2.276   8.405 1 U         -1.882e+04  0.00e+00 m   0 1817 1812 1818 0 #N 223, HG3 222, HN 223, 
 458 122.084   8.405   8.374 1 U         -8.870e+04  0.00e+00 m   0 1832 1818 1833 0 #N 224, HN 223, HN 224, 
 459 122.084   4.254   8.374 1 U         -5.917e+04  0.00e+00 m   0 1832 1820 1833 0 #N 224, HA 223, HN 224, 
 460 122.084   1.940   8.374 1 U         -2.699e+04  0.00e+00 m   0 1832 1822 1833 0 #N 224, HB2 223, HN 224, 
 461 122.084   2.038   8.374 1 U         -2.114e+04  0.00e+00 m   0 1832 1823 1833 0 #N 224, HB3 223, HN 224, 
 462 122.084   2.245   8.374 1 U         -1.572e+04  0.00e+00 m   0 1832 1826 1833 0 #N 224, HG2 223, HN 224, 
 463 122.084   2.276   8.374 1 U         -1.900e+04  0.00e+00 m   0 1832 1827 1833 0 #N 224, HG3 223, HN 224, 
 464 109.364   8.374   8.420 1 U         -1.684e+03  0.00e+00 m   0 1847 1833 1848 0 #N 225, HN 224, HN 225, 
 465 109.364   4.247   8.420 1 U         -1.656e+04  0.00e+00 m   0 1847 1835 1848 0 #N 225, HA 224, HN 225, 
 466 109.364   1.945   8.420 1 U         -4.107e+03  0.00e+00 m   0 1847 1837 1848 0 #N 225, HB2 224, HN 225, 
 467 109.364   2.041   8.420 1 U         -4.997e+03  0.00e+00 m   0 1847 1838 1848 0 #N 225, HB3 224, HN 225, 
 468 109.364   2.238   8.420 1 U         -3.931e+03  0.00e+00 m   0 1847 1841 1848 0 #N 225, HG2 224, HN 225, 
 469 109.364   2.274   8.420 1 U         -4.573e+03  0.00e+00 m   0 1847 1842 1848 0 #N 225, HG3 224, HN 225, 
 470 123.720   8.420   8.242 1 U         -2.249e+03  0.00e+00 m   0 1854 1848 1855 0 #N 226, HN 225, HN 226, 
 471 123.720   4.000   8.242 1 U         -6.323e+03  0.00e+00 m   0 1854 1850 1855 0 #N 226, HA1 225, HN 226, 
 472 123.720   3.558   8.242 1 U         -3.357e+03  0.00e+00 m   0 1854 1851 1855 0 #N 226, HA2 225, HN 226, 
 473 122.394   4.333   8.651 1 U         -3.337e+03  0.00e+00 m   0 1892 1879 1893 0 #N 228, HA 227, HN 228, 
 474 122.394   1.807   8.651 1 U         -2.578e+03  0.00e+00 m   0 1892 1881 1893 0 #N 228, HB2 227, HN 228, 
 475 122.394   2.345   8.651 1 U         -2.283e+03  0.00e+00 m   0 1892 1882 1893 0 #N 228, HB3 227, HN 228, 
 476 122.394   1.980   8.651 1 U         -1.486e+03  0.00e+00 m   0 1892 1885 1893 0 #N 228, HG2 227, HN 228, 
 477 122.394   2.088   8.651 1 U         -1.758e+03  0.00e+00 m   0 1892 1886 1893 0 #N 228, HG3 227, HN 228, 
 478 122.394   4.011   8.651 1 U         -9.010e+02  0.00e+00 m   0 1892 1888 1893 0 #N 228, HD2 227, HN 228, 
 480 120.008   8.651   9.216 1 U         -5.470e+02  0.00e+00 m   0 1910 1893 1911 0 #N 229, HN 228, HN 229, 
 481 120.008   4.626   9.216 1 U         -1.185e+03  0.00e+00 m   0 1910 1895 1911 0 #N 229, HA 228, HN 229, 
 483 120.008   2.127   9.216 1 U         -4.010e+02  0.00e+00 m   0 1910 1898 1911 0 #N 229, HB3 228, HN 229, 
 484 120.008   2.318   9.216 1 U         -6.730e+02  0.00e+00 m   0 1910 1901 1911 0 #N 229, HG2 228, HN 229, 
 485 120.008   2.318   9.216 1 U         -6.730e+02  0.00e+00 m   0 1910 1902 1911 0 #N 229, HG3 228, HN 229, 
 487 122.559   9.216   9.161 1 U         -1.430e+02  0.00e+00 m   0 1920 1911 1921 0 #N 230, HN 229, HN 230, 
 488 122.559   4.525   9.161 1 U         -1.260e+02  0.00e+00 m   0 1920 1913 1921 0 #N 230, HA 229, HN 230, 
 491 116.981   9.161   8.481 1 U         -3.120e+02  0.00e+00 m   0 1943 1921 1944 0 #N 231, HN 230, HN 231, 
 492 116.981   4.005   8.481 1 U         -6.820e+02  0.00e+00 m   0 1943 1923 1944 0 #N 231, HA 230, HN 231, 
 493 116.981   2.937   8.481 1 U         -3.710e+02  0.00e+00 m   0 1943 1925 1944 0 #N 231, HB2 230, HN 231, 
 494 116.981   3.279   8.481 1 U         -6.050e+02  0.00e+00 m   0 1943 1926 1944 0 #N 231, HB3 230, HN 231, 
 495 116.981   7.170   8.481 1 U         -1.083e+03  0.00e+00 m   0 1943 1928 1944 0 #N 231, QD 230, HN 231, 
 497 120.477   8.481   7.803 1 U         -6.730e+02  0.00e+00 m   0 1954 1944 1955 0 #N 232, HN 231, HN 232, 
 498 120.477   4.210   7.803 1 U         -2.980e+02  0.00e+00 m   0 1954 1946 1955 0 #N 232, HA 231, HN 232, 
 499 120.477   2.589   7.803 1 U         -8.280e+02  0.00e+00 m   0 1954 1948 1955 0 #N 232, HB2 231, HN 232, 
 500 120.477   2.623   7.803 1 U         -6.910e+02  0.00e+00 m   0 1954 1949 1955 0 #N 232, HB3 231, HN 232, 
 501 121.501   7.803   8.095 1 U          2.820e+02  0.00e+00 m   0 1969 1955 1970 0 #N 233, HN 232, HN 233, 
 502 121.501   3.975   8.095 1 U         -2.840e+02  0.00e+00 m   0 1969 1957 1970 0 #N 233, HA 232, HN 233, 
 504 121.501   2.277   8.095 1 U         -5.550e+02  0.00e+00 m   0 1969 1960 1970 0 #N 233, HB3 232, HN 233, 
 505 121.501   2.182   8.095 1 U         -1.488e+03  0.00e+00 m   0 1969 1963 1970 0 #N 233, HG2 232, HN 233, 
 506 121.501   2.394   8.095 1 U         -2.670e+02  0.00e+00 m   0 1969 1964 1970 0 #N 233, HG3 232, HN 233, 
 507 119.003   8.095   8.430 1 U         -9.620e+02  0.00e+00 m   0 1994 1970 1995 0 #N 234, HN 233, HN 234, 
 508 119.003   3.689   8.430 1 U         -7.900e+01  0.00e+00 m   0 1994 1972 1995 0 #N 234, HA 233, HN 234, 
 509 119.003   1.447   8.430 1 U         -8.150e+02  0.00e+00 m   0 1994 1974 1995 0 #N 234, HB2 233, HN 234, 
 510 119.003   1.843   8.430 1 U         -1.770e+02  0.00e+00 m   0 1994 1975 1995 0 #N 234, HB3 233, HN 234, 
 511 119.003   1.161   8.430 1 U          3.000e+00  0.00e+00 m   0 1994 1978 1995 0 #N 234, HG2 233, HN 234, 
 512 119.003   1.482   8.430 1 U         -5.410e+02  0.00e+00 m   0 1994 1982 1995 0 #N 234, HD2 233, HN 234, 
 513 119.003   1.604   8.430 1 U         -5.310e+02  0.00e+00 m   0 1994 1983 1995 0 #N 234, HD3 233, HN 234, 
 516 119.207   8.430   8.012 1 U         -1.139e+03  0.00e+00 m   0 2020 1995 2021 0 #N 235, HN 234, HN 235, 
 518 119.207   1.363   8.012 1 U         -1.877e+03  0.00e+00 m   0 2020 1999 2021 0 #N 235, HB2 234, HN 235, 
 519 119.207   1.738   8.012 1 U         -1.375e+03  0.00e+00 m   0 2020 2000 2021 0 #N 235, HB3 234, HN 235, 
 520 119.207   1.342   8.012 1 U         -1.739e+03  0.00e+00 m   0 2020 2003 2021 0 #N 235, HG2 234, HN 235, 
 521 119.207   1.342   8.012 1 U         -1.739e+03  0.00e+00 m   0 2020 2004 2021 0 #N 235, HG3 234, HN 235, 
 524 120.376   8.012   7.665 1 U         -1.207e+03  0.00e+00 m   0 2038 2021 2039 0 #N 236, HN 235, HN 236, 
 525 120.376   3.752   7.665 1 U         -1.293e+03  0.00e+00 m   0 2038 2023 2039 0 #N 236, HA 235, HN 236, 
 526 120.376   1.990   7.665 1 U         -1.195e+03  0.00e+00 m   0 2038 2025 2039 0 #N 236, HB2 235, HN 236, 
 527 120.376   2.154   7.665 1 U         -7.620e+02  0.00e+00 m   0 2038 2026 2039 0 #N 236, HB3 235, HN 236, 
 528 120.376   2.353   7.665 1 U         -9.720e+02  0.00e+00 m   0 2038 2031 2039 0 #N 236, QG 235, HN 236, 
 531 111.872   7.665   7.517 1 U         -1.231e+03  0.00e+00 m   0 2060 2039 2061 0 #N 237, HN 236, HN 237, 
 532 111.872   4.234   7.517 1 U         -3.580e+02  0.00e+00 m   0 2060 2041 2061 0 #N 237, HA 236, HN 237, 
 533 111.872   1.389   7.517 1 U         -8.300e+02  0.00e+00 m   0 2060 2043 2061 0 #N 237, HB2 236, HN 237, 
 534 111.872   1.753   7.517 1 U         -5.130e+02  0.00e+00 m   0 2060 2044 2061 0 #N 237, HB3 236, HN 237, 
 535 111.872   0.805   7.517 1 U         -1.019e+03  0.00e+00 m   0 2060 2047 2061 0 #N 237, HG 236, HN 237, 
 536 111.872   1.379   7.517 1 U         -8.300e+02  0.00e+00 m   0 2060 2048 2061 0 #N 237, QD1 236, HN 237, 
 537 111.872   0.894   7.517 1 U         -7.030e+02  0.00e+00 m   0 2060 2049 2061 0 #N 237, QD2 236, HN 237, 
 538 121.053   7.517   7.885 1 U         -6.770e+02  0.00e+00 m   0 2070 2061 2071 0 #N 238, HN 237, HN 238, 
 539 121.053   3.694   7.885 1 U         -7.410e+02  0.00e+00 m   0 2070 2063 2071 0 #N 238, HA 237, HN 238, 
 541 121.053   3.781   7.885 1 U         -7.070e+02  0.00e+00 m   0 2070 2066 2071 0 #N 238, HB3 237, HN 238, 
 542 121.753   7.885   8.752 1 U         -1.180e+03  0.00e+00 m   0 2092 2071 2093 0 #N 239, HN 238, HN 239, 
 543 121.753   3.982   8.752 1 U         -4.660e+02  0.00e+00 m   0 2092 2073 2093 0 #N 239, HA 238, HN 239, 
 544 121.753   1.484   8.752 1 U         -7.170e+02  0.00e+00 m   0 2092 2075 2093 0 #N 239, HB2 238, HN 239, 
 545 121.753   1.848   8.752 1 U         -1.147e+03  0.00e+00 m   0 2092 2076 2093 0 #N 239, HB3 238, HN 239, 
 546 121.753   1.702   8.752 1 U         -7.830e+02  0.00e+00 m   0 2092 2079 2093 0 #N 239, HG 238, HN 239, 
 547 121.753   0.824   8.752 1 U         -2.235e+03  0.00e+00 m   0 2092 2080 2093 0 #N 239, QD1 238, HN 239, 
 548 121.753   0.854   8.752 1 U         -2.739e+03  0.00e+00 m   0 2092 2081 2093 0 #N 239, QD2 238, HN 239, 
 549 120.696   8.752   8.457 1 U         -9.060e+02  0.00e+00 m   0 2103 2093 2104 0 #N 240, HN 239, HN 240, 
 550 120.696   4.341   8.457 1 U         -4.680e+02  0.00e+00 m   0 2103 2095 2104 0 #N 240, HA 239, HN 240, 
 551 120.696   2.386   8.457 1 U         -3.180e+02  0.00e+00 m   0 2103 2097 2104 0 #N 240, HB2 239, HN 240, 
 552 120.696   2.798   8.457 1 U         -2.250e+02  0.00e+00 m   0 2103 2098 2104 0 #N 240, HB3 239, HN 240, 
 553 115.932   8.457   7.641 1 U         -6.980e+02  0.00e+00 m   0 2124 2104 2125 0 #N 241, HN 240, HN 241, 
 554 115.932   3.664   7.641 1 U         -2.700e+02  0.00e+00 m   0 2124 2106 2125 0 #N 241, HA 240, HN 241, 
 555 115.932   2.054   7.641 1 U         -1.082e+03  0.00e+00 m   0 2124 2108 2125 0 #N 241, HB 240, HN 241, 
 556 115.932   0.873   7.641 1 U         -1.866e+03  0.00e+00 m   0 2124 2109 2125 0 #N 241, QG2 240, HN 241, 
 557 115.932   1.101   7.641 1 U         -5.080e+02  0.00e+00 m   0 2124 2115 2125 0 #N 241, HG12 240, HN 241, 
 558 115.932   1.940   7.641 1 U         -1.096e+03  0.00e+00 m   0 2124 2116 2125 0 #N 241, HG13 240, HN 241, 
 559 115.932   0.930   7.641 1 U         -1.908e+03  0.00e+00 m   0 2124 2118 2125 0 #N 241, QD1 240, HN 241, 
 560 116.229   7.641   7.610 1 U         -1.253e+04  0.00e+00 m   0 2138 2125 2139 0 #N 242, HN 241, HN 242, 
 561 116.229   4.415   7.610 1 U         -2.671e+03  0.00e+00 m   0 2138 2127 2139 0 #N 242, HA 241, HN 242, 
 562 116.229   2.895   7.610 1 U         -2.192e+03  0.00e+00 m   0 2138 2129 2139 0 #N 242, HB2 241, HN 242, 
 563 116.229   2.894   7.610 1 U         -2.192e+03  0.00e+00 m   0 2138 2130 2139 0 #N 242, HB3 241, HN 242, 
 566 121.891   7.610   7.397 1 U         -1.976e+03  0.00e+00 m   0 2164 2139 2165 0 #N 243, HN 242, HN 243, 
 567 121.891   4.420   7.397 1 U         -1.632e+03  0.00e+00 m   0 2164 2141 2165 0 #N 243, HA 242, HN 243, 
 568 121.891   2.027   7.397 1 U         -2.286e+03  0.00e+00 m   0 2164 2143 2165 0 #N 243, HB2 242, HN 243, 
 569 121.891   2.023   7.397 1 U         -2.286e+03  0.00e+00 m   0 2164 2144 2165 0 #N 243, HB3 242, HN 243, 
 570 121.891   1.763   7.397 1 U         -3.620e+02  0.00e+00 m   0 2164 2147 2165 0 #N 243, HG2 242, HN 243, 
 571 121.891   1.893   7.397 1 U         -7.180e+02  0.00e+00 m   0 2164 2148 2165 0 #N 243, HG3 242, HN 243, 
 574 111.270   4.621   8.977 1 U         -1.289e+03  0.00e+00 m   0 2202 2189 2203 0 #N 245, HA 244, HN 245, 
 575 111.270   1.974   8.977 1 U         -4.940e+02  0.00e+00 m   0 2202 2191 2203 0 #N 245, HB2 244, HN 245, 
 576 111.270   2.558   8.977 1 U         -6.930e+02  0.00e+00 m   0 2202 2192 2203 0 #N 245, HB3 244, HN 245, 
 577 119.458   8.977   9.578 1 U         -4.890e+02  0.00e+00 m   0 2209 2203 2210 0 #N 246, HN 245, HN 246, 
 579 119.458   3.970   9.578 1 U         -4.120e+02  0.00e+00 m   0 2209 2206 2210 0 #N 246, HA2 245, HN 246, 
 582 116.604   2.199   8.070 1 U         -7.410e+02  0.00e+00 m   0 2224 2214 2225 0 #N 247, HB2 246, HN 247, 
 583 116.604   2.197   8.070 1 U         -7.410e+02  0.00e+00 m   0 2224 2215 2225 0 #N 247, HB3 246, HN 247, 
 584 116.604   2.378   8.070 1 U         -3.550e+02  0.00e+00 m   0 2224 2218 2225 0 #N 247, HG2 246, HN 247, 
 585 116.604   2.392   8.070 1 U         -3.970e+02  0.00e+00 m   0 2224 2219 2225 0 #N 247, HG3 246, HN 247, 
 586 120.351   8.070   7.871 1 U         -7.630e+02  0.00e+00 m   0 2249 2225 2250 0 #N 248, HN 247, HN 248, 
 588 120.351   2.042   7.871 1 U         -4.270e+02  0.00e+00 m   0 2249 2229 2250 0 #N 248, HB2 247, HN 248, 
 590 107.946   7.871   8.229 1 U         -4.280e+02  0.00e+00 m   0 2271 2250 2272 0 #N 249, HN 248, HN 249, 
 591 107.946   4.062   8.229 1 U         -7.490e+02  0.00e+00 m   0 2271 2252 2272 0 #N 249, HA 248, HN 249, 
 595 107.946   0.997   8.229 1 U         -1.370e+02  0.00e+00 m   0 2271 2259 2272 0 #N 249, QD1 248, HN 249, 
 597 120.812   8.229   7.729 1 U         -6.980e+02  0.00e+00 m   0 2278 2272 2279 0 #N 250, HN 249, HN 250, 
 598 120.812   4.050   7.729 1 U         -1.173e+03  0.00e+00 m   0 2278 2274 2279 0 #N 250, HA1 249, HN 250, 
 599 120.812   3.260   7.729 1 U         -5.180e+02  0.00e+00 m   0 2278 2275 2279 0 #N 250, HA2 249, HN 250, 
 601 119.061   4.004   6.962 1 U         -3.660e+02  0.00e+00 m   0 2304 2281 2305 0 #N 251, HA 250, HN 251, 
 604 119.061   1.086   6.962 1 U         -8.890e+02  0.00e+00 m   0 2304 2287 2305 0 #N 251, HG2 250, HN 251, 
 605 119.061   1.226   6.962 1 U         -3.240e+02  0.00e+00 m   0 2304 2288 2305 0 #N 251, HG3 250, HN 251, 
 608 117.482   6.962   6.930 1 U          1.755e+03  0.00e+00 m   0 2322 2305 2323 0 #N 252, HN 251, HN 252, 
 611 117.482   1.060   6.930 1 U         -5.700e+02  0.00e+00 m   0 2322 2310 2323 0 #N 252, QG1 251, HN 252, 
 612 117.482   0.729   6.930 1 U         -1.120e+03  0.00e+00 m   0 2322 2311 2323 0 #N 252, QG2 251, HN 252, 
 613 117.756   6.930   7.618 1 U         -1.137e+03  0.00e+00 m   0 2340 2323 2341 0 #N 253, HN 252, HN 253, 
 614 117.756   2.924   7.618 1 U         -3.540e+02  0.00e+00 m   0 2340 2325 2341 0 #N 253, HA 252, HN 253, 
 615 117.756   1.673   7.618 1 U         -1.224e+03  0.00e+00 m   0 2340 2327 2341 0 #N 253, HB 252, HN 253, 
 616 117.756   0.528   7.618 1 U         -2.070e+03  0.00e+00 m   0 2340 2328 2341 0 #N 253, QG1 252, HN 253, 
 617 117.756  -0.343   7.618 1 U         -1.026e+03  0.00e+00 m   0 2340 2329 2341 0 #N 253, QG2 252, HN 253, 
 618 121.653   7.618   8.489 1 U         -8.070e+02  0.00e+00 m   0 2357 2341 2358 0 #N 254, HN 253, HN 254, 
 619 121.653   4.242   8.489 1 U          5.700e+01  0.00e+00 m   0 2357 2343 2358 0 #N 254, HA 253, HN 254, 
 620 121.653   3.046   8.489 1 U         -6.520e+02  0.00e+00 m   0 2357 2345 2358 0 #N 254, HB2 253, HN 254, 
 621 121.653   3.077   8.489 1 U         -1.045e+03  0.00e+00 m   0 2357 2346 2358 0 #N 254, HB3 253, HN 254, 
 622 117.245   8.489   7.596 1 U         -2.090e+03  0.00e+00 m   0 2378 2358 2379 0 #N 255, HN 254, HN 255, 
 623 117.245   3.397   7.596 1 U         -1.320e+02  0.00e+00 m   0 2378 2360 2379 0 #N 255, HA 254, HN 255, 
 624 117.245   1.777   7.596 1 U         -8.840e+02  0.00e+00 m   0 2378 2362 2379 0 #N 255, HB 254, HN 255, 
 625 117.245   0.740   7.596 1 U         -5.383e+03  0.00e+00 m   0 2378 2363 2379 0 #N 255, QG2 254, HN 255, 
 626 117.245   0.965   7.596 1 U         -1.650e+03  0.00e+00 m   0 2378 2369 2379 0 #N 255, HG12 254, HN 255, 
 627 117.245   1.668   7.596 1 U         -1.846e+03  0.00e+00 m   0 2378 2370 2379 0 #N 255, HG13 254, HN 255, 
 628 117.245   0.539   7.596 1 U         -9.230e+02  0.00e+00 m   0 2378 2372 2379 0 #N 255, QD1 254, HN 255, 
 629 116.201   7.596   8.687 1 U         -6.770e+02  0.00e+00 m   0 2399 2379 2400 0 #N 256, HN 255, HN 256, 
 630 116.201   3.424   8.687 1 U         -4.290e+02  0.00e+00 m   0 2399 2381 2400 0 #N 256, HA 255, HN 256, 
 631 116.201   1.736   8.687 1 U         -8.420e+02  0.00e+00 m   0 2399 2383 2400 0 #N 256, HB 255, HN 256, 
 632 116.201   0.760   8.687 1 U         -1.723e+03  0.00e+00 m   0 2399 2384 2400 0 #N 256, QG2 255, HN 256, 
 633 116.201   1.648   8.687 1 U         -4.820e+02  0.00e+00 m   0 2399 2390 2400 0 #N 256, HG12 255, HN 256, 
 634 116.201   1.735   8.687 1 U         -8.420e+02  0.00e+00 m   0 2399 2391 2400 0 #N 256, HG13 255, HN 256, 
 635 116.201   0.616   8.687 1 U         -5.000e+02  0.00e+00 m   0 2399 2393 2400 0 #N 256, QD1 255, HN 256, 
 636 111.753   8.687   8.023 1 U         -1.658e+03  0.00e+00 m   0 2417 2400 2418 0 #N 257, HN 256, HN 257, 
 637 111.753   3.828   8.023 1 U         -2.124e+03  0.00e+00 m   0 2417 2402 2418 0 #N 257, HA 256, HN 257, 
 638 111.753   1.868   8.023 1 U         -8.330e+02  0.00e+00 m   0 2417 2404 2418 0 #N 257, HB2 256, HN 257, 
 639 111.753   2.081   8.023 1 U         -1.243e+03  0.00e+00 m   0 2417 2405 2418 0 #N 257, HB3 256, HN 257, 
 640 111.753   2.120   8.023 1 U         -1.221e+03  0.00e+00 m   0 2417 2408 2418 0 #N 257, HG2 256, HN 257, 
 644 118.578   8.023   7.392 1 U         -1.365e+03  0.00e+00 m   0 2427 2418 2428 0 #N 258, HN 257, HN 258, 
 645 118.578   4.126   7.392 1 U         -2.570e+02  0.00e+00 m   0 2427 2420 2428 0 #N 258, HA 257, HN 258, 
 646 118.578   3.666   7.392 1 U         -3.590e+02  0.00e+00 m   0 2427 2422 2428 0 #N 258, HB2 257, HN 258, 
 647 118.578   3.798   7.392 1 U         -8.790e+02  0.00e+00 m   0 2427 2423 2428 0 #N 258, HB3 257, HN 258, 
 648 118.370   7.392   7.877 1 U         -1.715e+03  0.00e+00 m   0 2453 2428 2454 0 #N 259, HN 258, HN 259, 
 649 118.370   4.336   7.877 1 U         -7.510e+02  0.00e+00 m   0 2453 2430 2454 0 #N 259, HA 258, HN 259, 
 650 118.370   1.817   7.877 1 U         -1.107e+03  0.00e+00 m   0 2453 2432 2454 0 #N 259, HB2 258, HN 259, 
 651 118.370   2.015   7.877 1 U         -1.311e+03  0.00e+00 m   0 2453 2433 2454 0 #N 259, HB3 258, HN 259, 
 652 118.370   1.675   7.877 1 U         -9.010e+02  0.00e+00 m   0 2453 2436 2454 0 #N 259, HG2 258, HN 259, 
 653 118.370   1.785   7.877 1 U         -8.470e+02  0.00e+00 m   0 2453 2437 2454 0 #N 259, HG3 258, HN 259, 
 656 113.310   4.256   8.408 1 U         -1.381e+03  0.00e+00 m   0 2484 2471 2485 0 #N 261, HA 260, HN 261, 
 657 113.310   1.927   8.408 1 U         -1.705e+03  0.00e+00 m   0 2484 2473 2485 0 #N 261, HB2 260, HN 261, 
 658 113.310   2.329   8.408 1 U         -6.600e+02  0.00e+00 m   0 2484 2474 2485 0 #N 261, HB3 260, HN 261, 
 659 122.736   8.408   8.008 1 U         -9.770e+02  0.00e+00 m   0 2494 2485 2495 0 #N 262, HN 261, HN 262, 
 660 122.736   4.367   8.008 1 U         -2.875e+03  0.00e+00 m   0 2494 2487 2495 0 #N 262, HA 261, HN 262, 
 661 122.736   3.911   8.008 1 U         -1.806e+03  0.00e+00 m   0 2494 2489 2495 0 #N 262, HB2 261, HN 262, 
 662 122.736   3.972   8.008 1 U         -2.238e+03  0.00e+00 m   0 2494 2490 2495 0 #N 262, HB3 261, HN 262, 
 663 121.277   8.008   7.831 1 U         -1.331e+03  0.00e+00 m   0 2516 2495 2517 0 #N 263, HN 262, HN 263, 
 664 121.277   4.511   7.831 1 U         -2.201e+03  0.00e+00 m   0 2516 2497 2517 0 #N 263, HA 262, HN 263, 
 665 121.277   1.650   7.831 1 U         -4.997e+03  0.00e+00 m   0 2516 2499 2517 0 #N 263, HB2 262, HN 263, 
 666 121.277   1.651   7.831 1 U         -4.997e+03  0.00e+00 m   0 2516 2500 2517 0 #N 263, HB3 262, HN 263, 
 667 121.277   1.649   7.831 1 U         -4.997e+03  0.00e+00 m   0 2516 2503 2517 0 #N 263, HG 262, HN 263, 
 668 121.277   0.875   7.831 1 U         -3.112e+03  0.00e+00 m   0 2516 2504 2517 0 #N 263, QD1 262, HN 263, 
 669 121.277   0.859   7.831 1 U         -3.112e+03  0.00e+00 m   0 2516 2505 2517 0 #N 263, QD2 262, HN 263, 
 670 120.010   7.831   8.256 1 U         -2.891e+03  0.00e+00 m   0 2542 2517 2543 0 #N 264, HN 263, HN 264, 
 671 120.010   4.194   8.256 1 U         -4.334e+03  0.00e+00 m   0 2542 2519 2543 0 #N 264, HA 263, HN 264, 
 672 120.010   1.868   8.256 1 U         -3.874e+03  0.00e+00 m   0 2542 2521 2543 0 #N 264, HB2 263, HN 264, 
 673 120.010   1.878   8.256 1 U         -3.874e+03  0.00e+00 m   0 2542 2522 2543 0 #N 264, HB3 263, HN 264, 
 674 120.010   1.658   8.256 1 U         -2.388e+03  0.00e+00 m   0 2542 2525 2543 0 #N 264, HG2 263, HN 264, 
 675 120.010   1.660   8.256 1 U         -2.388e+03  0.00e+00 m   0 2542 2526 2543 0 #N 264, HG3 263, HN 264, 
 676 120.010   3.179   8.256 1 U         -7.660e+02  0.00e+00 m   0 2542 2529 2543 0 #N 264, HD2 263, HN 264, 
 677 120.010   3.179   8.256 1 U         -7.660e+02  0.00e+00 m   0 2542 2530 2543 0 #N 264, HD3 263, HN 264, 
 678 114.969   8.256   7.832 1 U         -1.331e+03  0.00e+00 m   0 2553 2543 2554 0 #N 265, HN 264, HN 265, 
 679 114.969   4.686   7.832 1 U         -2.707e+03  0.00e+00 m   0 2553 2545 2554 0 #N 265, HA 264, HN 265, 
 680 114.969   2.677   7.832 1 U         -1.387e+03  0.00e+00 m   0 2553 2547 2554 0 #N 265, HB2 264, HN 265, 
 681 114.969   2.784   7.832 1 U         -1.769e+03  0.00e+00 m   0 2553 2548 2554 0 #N 265, HB3 264, HN 265, 
 682 122.291   7.832   8.562 1 U          9.500e+02  0.00e+00 m   0 2563 2554 2564 0 #N 266, HN 265, HN 266, 
 683 122.291   4.399   8.562 1 U         -2.490e+03  0.00e+00 m   0 2563 2556 2564 0 #N 266, HA 265, HN 266, 
 684 122.291   3.930   8.562 1 U         -1.693e+03  0.00e+00 m   0 2563 2558 2564 0 #N 266, HB2 265, HN 266, 
 685 122.291   3.940   8.562 1 U         -1.693e+03  0.00e+00 m   0 2563 2559 2564 0 #N 266, HB3 265, HN 266, 
 686 115.403   4.456   8.202 1 U         -2.232e+03  0.00e+00 m   0 2593 2580 2594 0 #N 268, HA 267, HN 268, 
 687 115.403   2.000   8.202 1 U         -4.255e+03  0.00e+00 m   0 2593 2582 2594 0 #N 268, HB2 267, HN 268, 
 688 115.403   2.292   8.202 1 U         -8.450e+02  0.00e+00 m   0 2593 2583 2594 0 #N 268, HB3 267, HN 268, 
 689 115.403   3.759   8.202 1 U         -5.900e+02  0.00e+00 m   0 2593 2589 2594 0 #N 268, HD2 267, HN 268, 
 690 115.403   3.774   8.202 1 U         -5.900e+02  0.00e+00 m   0 2593 2590 2594 0 #N 268, HD3 267, HN 268, 
 691 118.796   8.202   7.483 1 U         -6.628e+03  0.00e+00 m   0 2604 2594 2605 0 #N 269, HN 268, HN 269, 
 692 118.796   4.716   7.483 1 U         -1.478e+03  0.00e+00 m   0 2604 2596 2605 0 #N 269, HA 268, HN 269, 
 693 118.796   2.539   7.483 1 U         -1.097e+03  0.00e+00 m   0 2604 2598 2605 0 #N 269, HB2 268, HN 269, 
 694 118.796   2.881   7.483 1 U         -1.373e+03  0.00e+00 m   0 2604 2599 2605 0 #N 269, HB3 268, HN 269, 
 695 122.694   7.483   9.087 1 U         -5.610e+02  0.00e+00 m   0 2619 2605 2620 0 #N 270, HN 269, HN 270, 
 696 122.694   5.421   9.087 1 U         -1.937e+03  0.00e+00 m   0 2619 2607 2620 0 #N 270, HA 269, HN 270, 
 697 122.694   1.979   9.087 1 U         -2.144e+03  0.00e+00 m   0 2619 2609 2620 0 #N 270, HB2 269, HN 270, 
 698 122.694   1.978   9.087 1 U         -2.144e+03  0.00e+00 m   0 2619 2610 2620 0 #N 270, HB3 269, HN 270, 
 699 122.694   2.169   9.087 1 U         -1.001e+03  0.00e+00 m   0 2619 2613 2620 0 #N 270, HG2 269, HN 270, 
 700 122.694   2.104   9.087 1 U         -1.337e+03  0.00e+00 m   0 2619 2614 2620 0 #N 270, HG3 269, HN 270, 
 701 127.318   9.087   8.636 1 U         -9.440e+02  0.00e+00 m   0 2640 2620 2641 0 #N 271, HN 270, HN 271, 
 702 127.318   4.576   8.636 1 U         -3.925e+03  0.00e+00 m   0 2640 2622 2641 0 #N 271, HA 270, HN 271, 
 703 127.318   1.730   8.636 1 U         -1.468e+03  0.00e+00 m   0 2640 2624 2641 0 #N 271, HB 270, HN 271, 
 704 127.318   0.738   8.636 1 U         -2.518e+03  0.00e+00 m   0 2640 2625 2641 0 #N 271, QG2 270, HN 271, 
 705 127.318   0.989   8.636 1 U         -6.660e+02  0.00e+00 m   0 2640 2631 2641 0 #N 271, HG12 270, HN 271, 
 706 127.318   1.489   8.636 1 U         -1.383e+03  0.00e+00 m   0 2640 2632 2641 0 #N 271, HG13 270, HN 271, 
 707 127.318   0.689   8.636 1 U         -1.075e+03  0.00e+00 m   0 2640 2634 2641 0 #N 271, QD1 270, HN 271, 
 708 125.235   8.636   8.975 1 U         -9.060e+02  0.00e+00 m   0 2655 2641 2656 0 #N 272, HN 271, HN 272, 
 709 125.235   4.810   8.975 1 U         -6.949e+03  0.00e+00 m   0 2655 2643 2656 0 #N 272, HA 271, HN 272, 
 710 125.235   1.868   8.975 1 U         -7.810e+02  0.00e+00 m   0 2655 2645 2656 0 #N 272, HB2 271, HN 272, 
 711 125.235   1.990   8.975 1 U         -8.440e+02  0.00e+00 m   0 2655 2646 2656 0 #N 272, HB3 271, HN 272, 
 712 125.235   1.941   8.975 1 U         -9.310e+02  0.00e+00 m   0 2655 2649 2656 0 #N 272, HG2 271, HN 272, 
 713 125.235   2.133   8.975 1 U         -7.530e+02  0.00e+00 m   0 2655 2650 2656 0 #N 272, HG3 271, HN 272, 
 714 126.062   8.975   8.520 1 U         -4.150e+02  0.00e+00 m   0 2676 2656 2677 0 #N 273, HN 272, HN 273, 
 715 126.062   3.910   8.520 1 U         -2.723e+03  0.00e+00 m   0 2676 2658 2677 0 #N 273, HA 272, HN 273, 
 717 126.062   0.034   8.520 1 U         -1.670e+03  0.00e+00 m   0 2676 2661 2677 0 #N 273, QG2 272, HN 273, 
 718 126.062   0.649   8.520 1 U         -8.100e+02  0.00e+00 m   0 2676 2667 2677 0 #N 273, HG12 272, HN 273, 
 719 126.062   1.306   8.520 1 U         -3.370e+02  0.00e+00 m   0 2676 2668 2677 0 #N 273, HG13 272, HN 273, 
 720 126.062   0.502   8.520 1 U         -6.230e+02  0.00e+00 m   0 2676 2670 2677 0 #N 273, QD1 272, HN 273, 
 722 122.645   5.218   9.311 1 U         -5.830e+02  0.00e+00 m   0 2687 2679 2688 0 #N 274, HA 273, HN 274, 
 723 122.645   2.290   9.311 1 U         -6.030e+02  0.00e+00 m   0 2687 2681 2688 0 #N 274, HB2 273, HN 274, 
 724 122.645   3.031   9.311 1 U         -7.020e+02  0.00e+00 m   0 2687 2682 2688 0 #N 274, HB3 273, HN 274, 
 725 114.946   9.311   8.702 1 U         -1.026e+03  0.00e+00 m   0 2710 2688 2711 0 #N 275, HN 274, HN 275, 
 726 114.946   3.988   8.702 1 U         -6.240e+02  0.00e+00 m   0 2710 2690 2711 0 #N 275, HA 274, HN 275, 
 727 114.946   3.055   8.702 1 U         -7.690e+02  0.00e+00 m   0 2710 2692 2711 0 #N 275, HB2 274, HN 275, 
 728 114.946   3.052   8.702 1 U         -7.690e+02  0.00e+00 m   0 2710 2693 2711 0 #N 275, HB3 274, HN 275, 
 732 106.475   8.702   7.556 1 U         -1.743e+03  0.00e+00 m   0 2725 2711 2726 0 #N 276, HN 275, HN 276, 
 733 106.475   4.346   7.556 1 U         -1.423e+03  0.00e+00 m   0 2725 2713 2726 0 #N 276, HA 275, HN 276, 
 734 106.475   2.185   7.556 1 U         -1.558e+03  0.00e+00 m   0 2725 2715 2726 0 #N 276, HB2 275, HN 276, 
 735 106.475   2.241   7.556 1 U         -2.550e+03  0.00e+00 m   0 2725 2716 2726 0 #N 276, HB3 275, HN 276, 
 736 106.475   2.250   7.556 1 U         -2.550e+03  0.00e+00 m   0 2725 2719 2726 0 #N 276, HG2 275, HN 276, 
 737 106.475   2.401   7.556 1 U         -1.039e+03  0.00e+00 m   0 2725 2720 2726 0 #N 276, HG3 275, HN 276, 
 738 121.940   7.556   6.711 1 U         -2.542e+03  0.00e+00 m   0 2738 2726 2739 0 #N 277, HN 276, HN 277, 
 739 121.940   4.520   6.711 1 U          1.520e+02  0.00e+00 m   0 2738 2728 2739 0 #N 277, HA 276, HN 277, 
 740 121.940   4.445   6.711 1 U         -2.790e+02  0.00e+00 m   0 2738 2730 2739 0 #N 277, HB 276, HN 277, 
 741 121.940   1.081   6.711 1 U         -1.363e+03  0.00e+00 m   0 2738 2731 2739 0 #N 277, QG2 276, HN 277, 
 742 123.454   6.711  10.010 1 U         -2.210e+02  0.00e+00 m   0 2760 2739 2761 0 #N 278, HN 277, HN 278, 
 743 123.454   4.316  10.010 1 U         -7.590e+02  0.00e+00 m   0 2760 2741 2761 0 #N 278, HA 277, HN 278, 
 746 123.454   1.835  10.010 1 U         -7.550e+02  0.00e+00 m   0 2760 2747 2761 0 #N 278, HG 277, HN 278, 
 747 123.454   0.576  10.010 1 U         -2.380e+02  0.00e+00 m   0 2760 2748 2761 0 #N 278, QD1 277, HN 278, 
 748 123.454   0.726  10.010 1 U         -1.208e+03  0.00e+00 m   0 2760 2749 2761 0 #N 278, QD2 277, HN 278, 
 749 106.245   4.214   7.885 1 U         -7.910e+02  0.00e+00 m   0 2801 2788 2802 0 #N 280, HA 279, HN 280, 
 750 106.245   1.968   7.885 1 U         -5.900e+02  0.00e+00 m   0 2801 2790 2802 0 #N 280, HB2 279, HN 280, 
 751 106.245   2.148   7.885 1 U         -7.760e+02  0.00e+00 m   0 2801 2791 2802 0 #N 280, HB3 279, HN 280, 
 752 106.245   2.204   7.885 1 U         -8.270e+02  0.00e+00 m   0 2801 2794 2802 0 #N 280, HG2 279, HN 280, 
 753 106.245   2.098   7.885 1 U         -6.090e+02  0.00e+00 m   0 2801 2795 2802 0 #N 280, HG3 279, HN 280, 
 756 121.181   7.885   7.284 1 U         -1.214e+03  0.00e+00 m   0 2814 2802 2815 0 #N 281, HN 280, HN 281, 
 757 121.181   4.008   7.284 1 U         -8.100e+02  0.00e+00 m   0 2814 2804 2815 0 #N 281, HA 280, HN 281, 
 758 121.181   4.223   7.284 1 U         -9.810e+02  0.00e+00 m   0 2814 2806 2815 0 #N 281, HB 280, HN 281, 
 759 121.181   1.305   7.284 1 U         -7.890e+02  0.00e+00 m   0 2814 2807 2815 0 #N 281, QG2 280, HN 281, 
 760 120.608   7.284   8.009 1 U         -3.680e+02  0.00e+00 m   0 2827 2815 2828 0 #N 282, HN 281, HN 282, 
 761 120.608   3.745   8.009 1 U         -2.320e+02  0.00e+00 m   0 2827 2817 2828 0 #N 282, HA 281, HN 282, 
 762 120.608   4.467   8.009 1 U         -9.700e+01  0.00e+00 m   0 2827 2819 2828 0 #N 282, HB 281, HN 282, 
 763 120.608   1.158   8.009 1 U         -3.730e+02  0.00e+00 m   0 2827 2820 2828 0 #N 282, QG2 281, HN 282, 
 764 115.742   8.009   8.186 1 U         -2.739e+03  0.00e+00 m   0 2849 2828 2850 0 #N 283, HN 282, HN 283, 
 765 115.742   3.788   8.186 1 U         -3.180e+02  0.00e+00 m   0 2849 2830 2850 0 #N 283, HA 282, HN 283, 
 766 115.742   2.016   8.186 1 U         -2.113e+03  0.00e+00 m   0 2849 2832 2850 0 #N 283, HB2 282, HN 283, 
 767 115.742   1.723   8.186 1 U         -1.194e+03  0.00e+00 m   0 2849 2833 2850 0 #N 283, HB3 282, HN 283, 
 768 115.742   0.983   8.186 1 U         -1.540e+03  0.00e+00 m   0 2849 2837 2850 0 #N 283, QD1 282, HN 283, 
 769 115.742   0.848   8.186 1 U         -1.572e+03  0.00e+00 m   0 2849 2838 2850 0 #N 283, QD2 282, HN 283, 
 770 122.955   8.186   7.987 1 U         -9.370e+02  0.00e+00 m   0 2875 2850 2876 0 #N 284, HN 283, HN 284, 
 771 122.955   4.196   7.987 1 U         -1.554e+03  0.00e+00 m   0 2875 2852 2876 0 #N 284, HA 283, HN 284, 
 772 122.955   1.956   7.987 1 U         -2.013e+03  0.00e+00 m   0 2875 2854 2876 0 #N 284, HB2 283, HN 284, 
 773 122.955   2.122   7.987 1 U         -1.409e+03  0.00e+00 m   0 2875 2855 2876 0 #N 284, HB3 283, HN 284, 
 774 120.157   7.987   8.501 1 U         -7.010e+02  0.00e+00 m   0 2890 2876 2891 0 #N 285, HN 284, HN 285, 
 776 120.157   1.993   8.501 1 U         -6.140e+02  0.00e+00 m   0 2890 2880 2891 0 #N 285, HB2 284, HN 285, 
 777 120.157   2.102   8.501 1 U         -6.210e+02  0.00e+00 m   0 2890 2881 2891 0 #N 285, HB3 284, HN 285, 
 778 120.157   2.271   8.501 1 U         -6.980e+02  0.00e+00 m   0 2890 2885 2891 0 #N 285, HG3 284, HN 285, 
 779 120.411   8.501   8.623 1 U         -5.760e+02  0.00e+00 m   0 2912 2891 2913 0 #N 286, HN 285, HN 286, 
 780 120.411   4.113   8.623 1 U         -4.400e+02  0.00e+00 m   0 2912 2893 2913 0 #N 286, HA 285, HN 286, 
 782 120.411   2.244   8.623 1 U         -1.163e+03  0.00e+00 m   0 2912 2896 2913 0 #N 286, HB3 285, HN 286, 
 783 120.411   0.888   8.623 1 U         -1.646e+03  0.00e+00 m   0 2912 2900 2913 0 #N 286, QD1 285, HN 286, 
 784 118.748   8.623   8.052 1 U         -7.330e+02  0.00e+00 m   0 2927 2913 2928 0 #N 287, HN 286, HN 287, 
 785 118.748   3.775   8.052 1 U         -2.330e+02  0.00e+00 m   0 2927 2915 2928 0 #N 287, HA 286, HN 287, 
 786 118.748   1.917   8.052 1 U         -2.992e+03  0.00e+00 m   0 2927 2917 2928 0 #N 287, HB2 286, HN 287, 
 787 118.748   2.009   8.052 1 U         -1.823e+03  0.00e+00 m   0 2927 2918 2928 0 #N 287, HB3 286, HN 287, 
 788 118.748   2.247   8.052 1 U         -5.220e+02  0.00e+00 m   0 2927 2923 2928 0 #N 287, QG 286, HN 287, 
 789 120.714   8.052   8.079 1 U         -3.840e+03  0.00e+00 m   0 2953 2928 2954 0 #N 288, HN 287, HN 288, 
 791 120.714   1.917   8.079 1 U         -6.770e+02  0.00e+00 m   0 2953 2932 2954 0 #N 288, HB2 287, HN 288, 
 792 120.714   1.991   8.079 1 U         -6.790e+02  0.00e+00 m   0 2953 2933 2954 0 #N 288, HB3 287, HN 288, 
 793 120.714   1.609   8.079 1 U         -5.380e+02  0.00e+00 m   0 2953 2936 2954 0 #N 288, HG2 287, HN 288, 
 794 120.714   1.923   8.079 1 U         -6.310e+02  0.00e+00 m   0 2953 2937 2954 0 #N 288, HG3 287, HN 288, 
 797 121.752   8.079   9.145 1 U         -5.650e+02  0.00e+00 m   0 2976 2954 2977 0 #N 289, HN 288, HN 289, 
 798 121.752   4.356   9.145 1 U         -1.000e+00  0.00e+00 m   0 2976 2956 2977 0 #N 289, HA 288, HN 289, 
 799 121.752   2.880   9.145 1 U         -3.660e+02  0.00e+00 m   0 2976 2958 2977 0 #N 289, HB2 288, HN 289, 
 801 121.752   6.909   9.145 1 U         -2.990e+02  0.00e+00 m   0 2976 2961 2977 0 #N 289, QD 288, HN 289, 
 803 118.888   9.145   8.202 1 U         -5.340e+02  0.00e+00 m   0 2994 2977 2995 0 #N 290, HN 289, HN 290, 
 804 118.888   3.144   8.202 1 U         -1.980e+02  0.00e+00 m   0 2994 2979 2995 0 #N 290, HA 289, HN 290, 
 805 118.888   2.086   8.202 1 U         -4.600e+02  0.00e+00 m   0 2994 2981 2995 0 #N 290, HB 289, HN 290, 
 806 118.888   1.074   8.202 1 U         -5.530e+02  0.00e+00 m   0 2994 2982 2995 0 #N 290, QG1 289, HN 290, 
 807 118.888   0.909   8.202 1 U         -7.220e+02  0.00e+00 m   0 2994 2983 2995 0 #N 290, QG2 289, HN 290, 
 808 114.092   8.202   7.594 1 U         -1.558e+03  0.00e+00 m   0 3019 2995 3020 0 #N 291, HN 290, HN 291, 
 809 114.092   3.871   7.594 1 U         -1.590e+03  0.00e+00 m   0 3019 2997 3020 0 #N 291, HA 290, HN 291, 
 810 114.092   1.794   7.594 1 U         -2.153e+03  0.00e+00 m   0 3019 2999 3020 0 #N 291, HB2 290, HN 291, 
 811 114.092   1.899   7.594 1 U         -2.586e+03  0.00e+00 m   0 3019 3000 3020 0 #N 291, HB3 290, HN 291, 
 812 114.092   1.360   7.594 1 U         -8.860e+02  0.00e+00 m   0 3019 3003 3020 0 #N 291, HG2 290, HN 291, 
 813 114.092   1.554   7.594 1 U         -1.620e+03  0.00e+00 m   0 3019 3004 3020 0 #N 291, HG3 290, HN 291, 
 814 114.092   1.613   7.594 1 U         -2.082e+03  0.00e+00 m   0 3019 3009 3020 0 #N 291, QD 290, HN 291, 
 815 114.092   2.928   7.594 1 U         -6.140e+02  0.00e+00 m   0 3019 3013 3020 0 #N 291, QE 290, HN 291, 
 816 118.684   7.594   7.496 1 U         -2.192e+03  0.00e+00 m   0 3029 3020 3030 0 #N 292, HN 291, HN 292, 
 817 118.684   4.283   7.496 1 U         -2.470e+02  0.00e+00 m   0 3029 3022 3030 0 #N 292, HA 291, HN 292, 
 818 118.684   4.026   7.496 1 U         -4.300e+01  0.00e+00 m   0 3029 3024 3030 0 #N 292, HB2 291, HN 292, 
 819 118.684   4.023   7.496 1 U         -4.300e+01  0.00e+00 m   0 3029 3025 3030 0 #N 292, HB3 291, HN 292, 
 820 119.063   7.496   7.618 1 U         -4.850e+02  0.00e+00 m   0 3039 3030 3040 0 #N 293, HN 292, HN 293, 
 821 119.063   4.216   7.618 1 U         -7.560e+02  0.00e+00 m   0 3039 3032 3040 0 #N 293, HA 292, HN 293, 
 822 119.063   2.437   7.618 1 U         -3.880e+02  0.00e+00 m   0 3039 3034 3040 0 #N 293, HB2 292, HN 293, 
 824 119.211   7.618   7.781 1 U         -3.698e+03  0.00e+00 m   0 3061 3040 3062 0 #N 294, HN 293, HN 294, 
 825 119.211   4.323   7.781 1 U         -5.873e+03  0.00e+00 m   0 3061 3042 3062 0 #N 294, HA 293, HN 294, 
 826 119.211   1.633   7.781 1 U         -3.539e+03  0.00e+00 m   0 3061 3044 3062 0 #N 294, HB2 293, HN 294, 
 827 119.211   1.497   7.781 1 U         -2.155e+03  0.00e+00 m   0 3061 3045 3062 0 #N 294, HB3 293, HN 294, 
 828 119.211   1.649   7.781 1 U         -3.329e+03  0.00e+00 m   0 3061 3048 3062 0 #N 294, HG 293, HN 294, 
 829 119.211   0.746   7.781 1 U         -4.931e+03  0.00e+00 m   0 3061 3049 3062 0 #N 294, QD1 293, HN 294, 
 830 119.211   0.735   7.781 1 U         -4.931e+03  0.00e+00 m   0 3061 3050 3062 0 #N 294, QD2 293, HN 294, 
 831 122.965   7.781   8.191 1 U         -1.195e+03  0.00e+00 m   0 3079 3062 3080 0 #N 295, HN 294, HN 295, 
 832 122.965   4.240   8.191 1 U         -6.154e+03  0.00e+00 m   0 3079 3064 3080 0 #N 295, HA 294, HN 295, 
 833 122.965   2.070   8.191 1 U         -1.914e+03  0.00e+00 m   0 3079 3066 3080 0 #N 295, HB2 294, HN 295, 
 834 122.965   2.070   8.191 1 U         -1.914e+03  0.00e+00 m   0 3079 3067 3080 0 #N 295, HB3 294, HN 295, 
 835 122.965   2.365   8.191 1 U         -1.052e+03  0.00e+00 m   0 3079 3070 3080 0 #N 295, HG2 294, HN 295, 
 836 122.965   2.365   8.191 1 U         -1.052e+03  0.00e+00 m   0 3079 3071 3080 0 #N 295, HG3 294, HN 295, 
 839 128.457   8.191   8.015 1 U          1.231e+03  0.00e+00 m   0 3104 3080 3105 0 #N 296, HN 295, HN 296, 
 840 128.457   4.296   8.015 1 U         -3.458e+04  0.00e+00 m   0 3104 3082 3105 0 #N 296, HA 295, HN 296, 
 841 128.457   1.745   8.015 1 U         -1.556e+04  0.00e+00 m   0 3104 3084 3105 0 #N 296, HB2 295, HN 296, 
 842 128.457   1.835   8.015 1 U         -1.470e+04  0.00e+00 m   0 3104 3085 3105 0 #N 296, HB3 295, HN 296, 
 843 128.457   1.418   8.015 1 U         -1.486e+04  0.00e+00 m   0 3104 3090 3105 0 #N 296, QG 295, HN 296, 
 844 128.457   1.672   8.015 1 U         -1.203e+04  0.00e+00 m   0 3104 3094 3105 0 #N 296, QD 295, HN 296, 
 845 128.457   2.992   8.015 1 U         -1.409e+03  0.00e+00 m   0 3104 3098 3105 0 #N 296, QE 295, HN 296, 
 846 113.389   4.568   7.639 1 U         -1.546e+03  0.00e+00 m   0  391  385  392 0 #ND2 23, HA 23, HD21 23, 
 847 113.389   2.833   7.639 1 U         -6.869e+03  0.00e+00 m   0  391  387  392 0 #ND2 23, HB2 23, HD21 23, 
 848 113.389   2.795   7.639 1 U         -5.865e+03  0.00e+00 m   0  391  388  392 0 #ND2 23, HB3 23, HD21 23, 
 849 113.389   7.639   7.639 1 U         -3.495e+04  0.00e+00 m   0  391  392  392 0 #ND2 23, HD21 23, HD21 23, 
 850 113.389   6.960   7.639 1 U         -4.229e+04  0.00e+00 m   0  391  393  392 0 #ND2 23, HD22 23, HD21 23, 
 851 113.389   4.568   6.960 1 U         -1.243e+03  0.00e+00 m   0  391  385  393 0 #ND2 23, HA 23, HD22 23, 
 852 113.389   2.833   6.960 1 U         -5.857e+03  0.00e+00 m   0  391  387  393 0 #ND2 23, HB2 23, HD22 23, 
 853 113.389   2.795   6.960 1 U         -4.936e+03  0.00e+00 m   0  391  388  393 0 #ND2 23, HB3 23, HD22 23, 
 854 113.389   7.639   6.960 1 U         -4.313e+04  0.00e+00 m   0  391  392  393 0 #ND2 23, HD21 23, HD22 23, 
 855 113.389   6.960   6.960 1 U         -1.089e+05  0.00e+00 m   0  391  393  393 0 #ND2 23, HD22 23, HD22 23, 
 858 113.749   2.975   7.492 1 U         -4.870e+02  0.00e+00 m   0 1274 1270 1275 0 #ND2 78, HB2 78, HD21 78, 
 859 113.749   2.807   7.492 1 U         -5.830e+02  0.00e+00 m   0 1274 1271 1275 0 #ND2 78, HB3 78, HD21 78, 
 860 113.749   7.492   7.492 1 U         -2.803e+03  0.00e+00 m   0 1274 1275 1275 0 #ND2 78, HD21 78, HD21 78, 
 861 113.749   7.793   7.492 1 U         -3.016e+03  0.00e+00 m   0 1274 1276 1275 0 #ND2 78, HD22 78, HD21 78, 
 864 113.749   2.975   7.793 1 U         -4.440e+02  0.00e+00 m   0 1274 1270 1276 0 #ND2 78, HB2 78, HD22 78, 
 865 113.749   2.807   7.793 1 U         -8.490e+02  0.00e+00 m   0 1274 1271 1276 0 #ND2 78, HB3 78, HD22 78, 
 866 113.749   7.492   7.793 1 U         -2.510e+03  0.00e+00 m   0 1274 1275 1276 0 #ND2 78, HD21 78, HD22 78, 
 867 113.749   7.793   7.793 1 U         -3.573e+03  0.00e+00 m   0 1274 1276 1276 0 #ND2 78, HD22 78, HD22 78, 
 869 111.743   4.415   6.561 1 U         -1.066e+03  0.00e+00 m   0 2133 2127 2134 0 #ND2 241, HA 241, HD21 241, 
 870 111.743   2.895   6.561 1 U         -3.579e+03  0.00e+00 m   0 2133 2129 2134 0 #ND2 241, HB2 241, HD21 241, 
 871 111.743   2.894   6.561 1 U         -3.579e+03  0.00e+00 m   0 2133 2130 2134 0 #ND2 241, HB3 241, HD21 241, 
 872 111.743   6.561   6.561 1 U         -2.034e+04  0.00e+00 m   0 2133 2134 2134 0 #ND2 241, HD21 241, HD21 241, 
 873 111.743   7.690   6.561 1 U         -1.656e+04  0.00e+00 m   0 2133 2135 2134 0 #ND2 241, HD22 241, HD21 241, 
 875 111.743   4.415   7.690 1 U         -6.920e+02  0.00e+00 m   0 2133 2127 2135 0 #ND2 241, HA 241, HD22 241, 
 876 111.743   2.895   7.690 1 U         -3.269e+03  0.00e+00 m   0 2133 2129 2135 0 #ND2 241, HB2 241, HD22 241, 
 877 111.743   2.894   7.690 1 U         -3.269e+03  0.00e+00 m   0 2133 2130 2135 0 #ND2 241, HB3 241, HD22 241, 
 878 111.743   6.561   7.690 1 U         -1.609e+04  0.00e+00 m   0 2133 2134 2135 0 #ND2 241, HD21 241, HD22 241, 
 879 111.743   7.690   7.690 1 U         -1.407e+04  0.00e+00 m   0 2133 2135 2135 0 #ND2 241, HD22 241, HD22 241, 
 881 113.293   4.945   7.732 1 U         -1.217e+03  0.00e+00 m   0 2572 2566 2573 0 #ND2 266, HA 266, HD21 266, 
 882 113.293   2.829   7.732 1 U         -2.936e+03  0.00e+00 m   0 2572 2568 2573 0 #ND2 266, HB2 266, HD21 266, 
 883 113.293   3.215   7.732 1 U         -2.192e+03  0.00e+00 m   0 2572 2569 2573 0 #ND2 266, HB3 266, HD21 266, 
 884 113.293   7.732   7.732 1 U         -1.966e+04  0.00e+00 m   0 2572 2573 2573 0 #ND2 266, HD21 266, HD21 266, 
 885 113.293   7.134   7.732 1 U         -1.868e+04  0.00e+00 m   0 2572 2574 2573 0 #ND2 266, HD22 266, HD21 266, 
 887 113.293   4.945   7.134 1 U         -7.780e+02  0.00e+00 m   0 2572 2566 2574 0 #ND2 266, HA 266, HD22 266, 
 888 113.293   2.829   7.134 1 U         -2.751e+03  0.00e+00 m   0 2572 2568 2574 0 #ND2 266, HB2 266, HD22 266, 
 889 113.293   3.215   7.134 1 U         -2.377e+03  0.00e+00 m   0 2572 2569 2574 0 #ND2 266, HB3 266, HD22 266, 
 890 113.293   7.732   7.134 1 U         -2.012e+04  0.00e+00 m   0 2572 2573 2574 0 #ND2 266, HD21 266, HD22 266, 
 891 113.293   7.134   7.134 1 U         -7.862e+03  0.00e+00 m   0 2572 2574 2574 0 #ND2 266, HD22 266, HD22 266, 
 893 112.920   4.764   6.978 1 U         -5.881e+03  0.00e+00 m   0 1206 1196 1207 0 #NE2 74, HA 74, HE21 74, 
 894 112.920   2.130   6.978 1 U         -1.001e+03  0.00e+00 m   0 1206 1198 1207 0 #NE2 74, HB2 74, HE21 74, 
 895 112.920   1.949   6.978 1 U         -7.410e+02  0.00e+00 m   0 1206 1199 1207 0 #NE2 74, HB3 74, HE21 74, 
 896 112.920   2.320   6.978 1 U         -7.396e+03  0.00e+00 m   0 1206 1202 1207 0 #NE2 74, HG2 74, HE21 74, 
 897 112.920   2.323   6.978 1 U         -7.396e+03  0.00e+00 m   0 1206 1203 1207 0 #NE2 74, HG3 74, HE21 74, 
 898 112.920   6.978   6.978 1 U         -9.860e+04  0.00e+00 m   0 1206 1207 1207 0 #NE2 74, HE21 74, HE21 74, 
 899 112.920   7.546   6.978 1 U         -6.372e+04  0.00e+00 m   0 1206 1208 1207 0 #NE2 74, HE22 74, HE21 74, 
 901 112.920   4.764   7.546 1 U         -7.544e+03  0.00e+00 m   0 1206 1196 1208 0 #NE2 74, HA 74, HE22 74, 
 902 112.920   2.130   7.546 1 U         -1.809e+03  0.00e+00 m   0 1206 1198 1208 0 #NE2 74, HB2 74, HE22 74, 
 903 112.920   1.949   7.546 1 U         -1.166e+03  0.00e+00 m   0 1206 1199 1208 0 #NE2 74, HB3 74, HE22 74, 
 904 112.920   2.320   7.546 1 U         -1.125e+04  0.00e+00 m   0 1206 1202 1208 0 #NE2 74, HG2 74, HE22 74, 
 905 112.920   2.323   7.546 1 U         -1.125e+04  0.00e+00 m   0 1206 1203 1208 0 #NE2 74, HG3 74, HE22 74, 
 906 112.920   6.978   7.546 1 U         -7.008e+04  0.00e+00 m   0 1206 1207 1208 0 #NE2 74, HE21 74, HE22 74, 
 907 112.920   7.546   7.546 1 U         -9.641e+04  0.00e+00 m   0 1206 1208 1208 0 #NE2 74, HE22 74, HE22 74, 
 912 112.758   2.463   6.910 1 U         -3.096e+03  0.00e+00 m   0 1260 1256 1261 0 #NE2 77, HG2 77, HE21 77, 
 913 112.758   2.434   6.910 1 U         -2.920e+03  0.00e+00 m   0 1260 1257 1261 0 #NE2 77, HG3 77, HE21 77, 
 914 112.758   6.910   6.910 1 U         -2.243e+05  0.00e+00 m   0 1260 1261 1261 0 #NE2 77, HE21 77, HE21 77, 
 915 112.758   7.619   6.910 1 U         -6.017e+04  0.00e+00 m   0 1260 1262 1261 0 #NE2 77, HE22 77, HE21 77, 
 918 112.758   2.204   7.619 1 U         -7.440e+02  0.00e+00 m   0 1260 1252 1262 0 #NE2 77, HB2 77, HE22 77, 
 920 112.758   2.463   7.619 1 U         -3.550e+03  0.00e+00 m   0 1260 1256 1262 0 #NE2 77, HG2 77, HE22 77, 
 921 112.758   2.434   7.619 1 U         -3.245e+03  0.00e+00 m   0 1260 1257 1262 0 #NE2 77, HG3 77, HE22 77, 
 922 112.758   6.910   7.619 1 U         -6.281e+04  0.00e+00 m   0 1260 1261 1262 0 #NE2 77, HE21 77, HE22 77, 
 923 112.758   7.619   7.619 1 U         -7.617e+04  0.00e+00 m   0 1260 1262 1262 0 #NE2 77, HE22 77, HE22 77, 
 925 112.593   4.305   6.864 1 U         -1.168e+03  0.00e+00 m   0 1683 1673 1684 0 #NE2 212, HA 212, HE21 212, 
 926 112.593   1.954   6.864 1 U         -4.990e+02  0.00e+00 m   0 1683 1675 1684 0 #NE2 212, HB2 212, HE21 212, 
 927 112.593   2.086   6.864 1 U         -1.538e+03  0.00e+00 m   0 1683 1676 1684 0 #NE2 212, HB3 212, HE21 212, 
 928 112.593   2.360   6.864 1 U         -8.601e+03  0.00e+00 m   0 1683 1679 1684 0 #NE2 212, HG2 212, HE21 212, 
 929 112.593   2.360   6.864 1 U         -8.601e+03  0.00e+00 m   0 1683 1680 1684 0 #NE2 212, HG3 212, HE21 212, 
 930 112.593   6.864   6.864 1 U         -6.159e+05  0.00e+00 m   0 1683 1684 1684 0 #NE2 212, HE21 212, HE21 212, 
 931 112.593   7.555   6.864 1 U         -1.679e+05  0.00e+00 m   0 1683 1685 1684 0 #NE2 212, HE22 212, HE21 212, 
 933 112.593   4.305   7.555 1 U         -2.936e+03  0.00e+00 m   0 1683 1673 1685 0 #NE2 212, HA 212, HE22 212, 
 934 112.593   1.954   7.555 1 U         -1.221e+03  0.00e+00 m   0 1683 1675 1685 0 #NE2 212, HB2 212, HE22 212, 
 935 112.593   2.086   7.555 1 U         -2.084e+03  0.00e+00 m   0 1683 1676 1685 0 #NE2 212, HB3 212, HE22 212, 
 936 112.593   2.360   7.555 1 U         -1.310e+04  0.00e+00 m   0 1683 1679 1685 0 #NE2 212, HG2 212, HE22 212, 
 937 112.593   2.360   7.555 1 U         -1.310e+04  0.00e+00 m   0 1683 1680 1685 0 #NE2 212, HG3 212, HE22 212, 
 938 112.593   6.864   7.555 1 U         -1.782e+05  0.00e+00 m   0 1683 1684 1685 0 #NE2 212, HE21 212, HE22 212, 
 939 112.593   7.555   7.555 1 U         -3.270e+05  0.00e+00 m   0 1683 1685 1685 0 #NE2 212, HE22 212, HE22 212, 
 941 116.693   3.752   6.786 1 U         -1.180e+03  0.00e+00 m   0 2033 2023 2034 0 #NE2 235, HA 235, HE21 235, 
 942 116.693   1.990   6.786 1 U         -7.950e+02  0.00e+00 m   0 2033 2025 2034 0 #NE2 235, HB2 235, HE21 235, 
 943 116.693   2.154   6.786 1 U         -1.329e+03  0.00e+00 m   0 2033 2026 2034 0 #NE2 235, HB3 235, HE21 235, 
 944 116.693   2.353   6.786 1 U         -8.282e+03  0.00e+00 m   0 2033 2031 2034 0 #NE2 235, QG 235, HE21 235, 
 945 116.693   6.786   6.786 1 U         -2.613e+04  0.00e+00 m   0 2033 2034 2034 0 #NE2 235, HE21 235, HE21 235, 
 946 116.693   7.890   6.786 1 U         -2.981e+04  0.00e+00 m   0 2033 2035 2034 0 #NE2 235, HE22 235, HE21 235, 
 948 116.693   3.752   7.890 1 U         -1.148e+03  0.00e+00 m   0 2033 2023 2035 0 #NE2 235, HA 235, HE22 235, 
 949 116.693   1.990   7.890 1 U         -1.200e+03  0.00e+00 m   0 2033 2025 2035 0 #NE2 235, HB2 235, HE22 235, 
 950 116.693   2.154   7.890 1 U         -1.133e+03  0.00e+00 m   0 2033 2026 2035 0 #NE2 235, HB3 235, HE22 235, 
 951 116.693   2.353   7.890 1 U         -7.283e+03  0.00e+00 m   0 2033 2031 2035 0 #NE2 235, QG 235, HE22 235, 
 952 116.693   6.786   7.890 1 U         -2.108e+04  0.00e+00 m   0 2033 2034 2035 0 #NE2 235, HE21 235, HE22 235, 
 953 116.693   7.890   7.890 1 U         -2.446e+04  0.00e+00 m   0 2033 2035 2035 0 #NE2 235, HE22 235, HE22 235, 
 955 111.193   3.828   6.884 1 U         -5.060e+02  0.00e+00 m   0 2412 2402 2413 0 #NE2 256, HA 256, HE21 256, 
 956 111.193   1.868   6.884 1 U         -6.690e+02  0.00e+00 m   0 2412 2404 2413 0 #NE2 256, HB2 256, HE21 256, 
 957 111.193   2.081   6.884 1 U         -1.291e+03  0.00e+00 m   0 2412 2405 2413 0 #NE2 256, HB3 256, HE21 256, 
 958 111.193   2.120   6.884 1 U         -2.073e+03  0.00e+00 m   0 2412 2408 2413 0 #NE2 256, HG2 256, HE21 256, 
 959 111.193   2.556   6.884 1 U         -1.033e+03  0.00e+00 m   0 2412 2409 2413 0 #NE2 256, HG3 256, HE21 256, 
 960 111.193   6.884   6.884 1 U         -2.240e+04  0.00e+00 m   0 2412 2413 2413 0 #NE2 256, HE21 256, HE21 256, 
 961 111.193   7.221   6.884 1 U         -1.072e+04  0.00e+00 m   0 2412 2414 2413 0 #NE2 256, HE22 256, HE21 256, 
 962 111.193   8.687   7.221 1 U         -3.470e+02  0.00e+00 m   0 2412 2400 2414 0 #NE2 256, HN 256, HE22 256, 
 963 111.193   3.828   7.221 1 U         -5.990e+02  0.00e+00 m   0 2412 2402 2414 0 #NE2 256, HA 256, HE22 256, 
 964 111.193   1.868   7.221 1 U         -1.147e+03  0.00e+00 m   0 2412 2404 2414 0 #NE2 256, HB2 256, HE22 256, 
 965 111.193   2.081   7.221 1 U         -1.393e+03  0.00e+00 m   0 2412 2405 2414 0 #NE2 256, HB3 256, HE22 256, 
 966 111.193   2.120   7.221 1 U         -2.522e+03  0.00e+00 m   0 2412 2408 2414 0 #NE2 256, HG2 256, HE22 256, 
 967 111.193   2.556   7.221 1 U         -9.810e+02  0.00e+00 m   0 2412 2409 2414 0 #NE2 256, HG3 256, HE22 256, 
 968 111.193   6.884   7.221 1 U         -1.218e+04  0.00e+00 m   0 2412 2413 2414 0 #NE2 256, HE21 256, HE22 256, 
 969 111.193   7.221   7.221 1 U         -1.041e+04  0.00e+00 m   0 2412 2414 2414 0 #NE2 256, HE22 256, HE22 256, 
 971 112.793   4.240   6.866 1 U         -1.160e+02  0.00e+00 m   0 3074 3064 3075 0 #NE2 294, HA 294, HE21 294, 
 972 112.793   2.070   6.866 1 U         -9.160e+02  0.00e+00 m   0 3074 3066 3075 0 #NE2 294, HB2 294, HE21 294, 
 973 112.793   2.070   6.866 1 U         -9.160e+02  0.00e+00 m   0 3074 3067 3075 0 #NE2 294, HB3 294, HE21 294, 
 974 112.793   2.365   6.866 1 U         -4.737e+03  0.00e+00 m   0 3074 3070 3075 0 #NE2 294, HG2 294, HE21 294, 
 975 112.793   2.365   6.866 1 U         -4.737e+03  0.00e+00 m   0 3074 3071 3075 0 #NE2 294, HG3 294, HE21 294, 
 976 112.793   6.866   6.866 1 U         -5.301e+05  0.00e+00 m   0 3074 3075 3075 0 #NE2 294, HE21 294, HE21 294, 
 977 112.793   7.512   6.866 1 U         -1.333e+05  0.00e+00 m   0 3074 3076 3075 0 #NE2 294, HE22 294, HE21 294, 
 979 112.793   4.240   7.512 1 U         -6.500e+01  0.00e+00 m   0 3074 3064 3076 0 #NE2 294, HA 294, HE22 294, 
 980 112.793   2.070   7.512 1 U         -4.230e+02  0.00e+00 m   0 3074 3066 3076 0 #NE2 294, HB2 294, HE22 294, 
 981 112.793   2.070   7.512 1 U         -4.230e+02  0.00e+00 m   0 3074 3067 3076 0 #NE2 294, HB3 294, HE22 294, 
 982 112.793   2.365   7.512 1 U         -7.123e+03  0.00e+00 m   0 3074 3070 3076 0 #NE2 294, HG2 294, HE22 294, 
 983 112.793   2.365   7.512 1 U         -7.123e+03  0.00e+00 m   0 3074 3071 3076 0 #NE2 294, HG3 294, HE22 294, 
 984 112.793   6.866   7.512 1 U         -1.280e+05  0.00e+00 m   0 3074 3075 3076 0 #NE2 294, HE21 294, HE22 294, 
 985 112.793   7.512   7.512 1 U         -2.869e+05  0.00e+00 m   0 3074 3076 3076 0 #NE2 294, HE22 294, HE22 294, 
 986 129.170   9.233  10.232 1 U         -7.090e+02  0.00e+00 m   0  228  216  233 0 #NE1 15, HN 15, HE1 15, 
 988 129.170   3.300  10.232 1 U         -6.300e+01  0.00e+00 m   0  228  220  233 0 #NE1 15, HB2 15, HE1 15, 
 990 129.170   6.723  10.232 1 U         -1.142e+04  0.00e+00 m   0  228  229  233 0 #NE1 15, HD1 15, HE1 15, 
 992 129.170  10.232  10.232 1 U         -3.754e+04  0.00e+00 m   0  228  233  233 0 #NE1 15, HE1 15, HE1 15, 
 993 129.170   6.884  10.232 1 U         -1.022e+03  0.00e+00 m   0  228  234  233 0 #NE1 15, HZ3 15, HE1 15, 
 994 129.170   7.369  10.232 1 U         -6.443e+03  0.00e+00 m   0  228  236  233 0 #NE1 15, HZ2 15, HE1 15, 
 995 129.170   7.113  10.232 1 U         -1.849e+03  0.00e+00 m   0  228  237  233 0 #NE1 15, HH2 15, HE1 15, 
 999 129.346   7.187  10.190 1 U         -9.180e+03  0.00e+00 m   0  488  489  493 0 #NE1 28, HD1 28, HE1 28, 
1001 129.346  10.190  10.190 1 U         -3.163e+04  0.00e+00 m   0  488  493  493 0 #NE1 28, HE1 28, HE1 28, 
1003 129.346   7.504  10.190 1 U         -5.069e+03  0.00e+00 m   0  488  496  493 0 #NE1 28, HZ2 28, HE1 28, 
1004 129.857   8.253  10.223 1 U         -1.686e+03  0.00e+00 m   0  831  819  836 0 #NE1 50, HN 50, HE1 50, 
1006 129.857   2.984  10.223 1 U         -7.800e+02  0.00e+00 m   0  831  823  836 0 #NE1 50, HB2 50, HE1 50, 
1008 129.857   7.396  10.223 1 U         -1.697e+04  0.00e+00 m   0  831  832  836 0 #NE1 50, HD1 50, HE1 50, 
1010 129.857  10.223  10.223 1 U         -2.092e+04  0.00e+00 m   0  831  836  836 0 #NE1 50, HE1 50, HE1 50, 
1013 129.857   6.989  10.223 1 U         -1.178e+03  0.00e+00 m   0  831  840  836 0 #NE1 50, HH2 50, HE1 50, 
1014 128.727   8.105  10.178 1 U         -5.380e+02  0.00e+00 m   0 1138 1126 1143 0 #NE1 71, HN 71, HE1 71, 
1016 128.727   3.253  10.178 1 U         -1.004e+03  0.00e+00 m   0 1138 2275 1143 0 #NE1 71, HA2 249, HE1 71, 
1017 128.727   2.980  10.178 1 U         -3.670e+02  0.00e+00 m   0 1138 1131 1143 0 #NE1 71, HB3 71, HE1 71, 
1018 128.727   7.172  10.178 1 U         -4.470e+03  0.00e+00 m   0 1138 1139 1143 0 #NE1 71, HD1 71, HE1 71, 
1020 128.727  10.178  10.178 1 U         -1.072e+04  0.00e+00 m   0 1138 1143 1143 0 #NE1 71, HE1 71, HE1 71, 
1022 128.727   7.397  10.178 1 U         -2.349e+03  0.00e+00 m   0 1138 1146 1143 0 #NE1 71, HZ2 71, HE1 71, 
1024 118.447   7.723   7.723 1 U         -3.800e+03  0.00e+00 m   0   86   87   87 0 #N 6, HN 6, HN 6, 
1025 118.447   4.767   7.723 1 U         -1.024e+04  0.00e+00 m   0   86   89   87 0 #N 6, HA 6, HN 6, 
1026 118.447   3.256   7.723 1 U         -8.710e+02  0.00e+00 m   0   86   91   87 0 #N 6, HB2 6, HN 6, 
1027 118.447   2.997   7.723 1 U         -1.951e+03  0.00e+00 m   0   86   92   87 0 #N 6, HB3 6, HN 6, 
1028 118.447   6.762   7.723 1 U         -7.200e+02  0.00e+00 m   0   86  100   87 0 #N 6, HD2 6, HN 6, 
1029 116.112   8.509   8.509 1 U         -6.990e+02  0.00e+00 m   0  103  104  104 0 #N 7, HN 7, HN 7, 
1030 116.112   4.501   8.509 1 U         -1.423e+03  0.00e+00 m   0  103  106  104 0 #N 7, HA 7, HN 7, 
1031 116.112   3.759   8.509 1 U         -1.800e+03  0.00e+00 m   0  103  108  104 0 #N 7, HB2 7, HN 7, 
1032 116.112   3.808   8.509 1 U         -2.096e+03  0.00e+00 m   0  103  109  104 0 #N 7, HB3 7, HN 7, 
1033 125.205  10.146  10.146 1 U         -1.372e+04  0.00e+00 m   0  113  114  114 0 #N 8, HN 8, HN 8, 
1034 125.205   4.663  10.146 1 U         -2.300e+03  0.00e+00 m   0  113  116  114 0 #N 8, HA 8, HN 8, 
1035 125.205   3.104  10.146 1 U         -2.434e+03  0.00e+00 m   0  113  118  114 0 #N 8, HB2 8, HN 8, 
1036 125.205   2.736  10.146 1 U         -1.739e+03  0.00e+00 m   0  113  119  114 0 #N 8, HB3 8, HN 8, 
1037 125.205   6.488  10.146 1 U         -1.092e+03  0.00e+00 m   0  113  127  114 0 #N 8, HD2 8, HN 8, 
1038 122.243   8.950   8.950 1 U         -1.795e+04  0.00e+00 m   0  130  131  131 0 #N 9, HN 9, HN 9, 
1039 122.243   4.845   8.950 1 U         -3.434e+03  0.00e+00 m   0  130  133  131 0 #N 9, HA 9, HN 9, 
1040 122.243   2.018   8.950 1 U         -5.801e+03  0.00e+00 m   0  130  135  131 0 #N 9, HB2 9, HN 9, 
1041 122.243   2.018   8.950 1 U         -5.801e+03  0.00e+00 m   0  130  136  131 0 #N 9, HB3 9, HN 9, 
1042 122.243   2.680   8.950 1 U         -3.755e+03  0.00e+00 m   0  130  139  131 0 #N 9, HG2 9, HN 9, 
1043 122.243   2.527   8.950 1 U         -3.337e+03  0.00e+00 m   0  130  140  131 0 #N 9, HG3 9, HN 9, 
1045 120.888   8.398   8.398 1 U         -2.156e+04  0.00e+00 m   0  148  149  149 0 #N 10, HN 10, HN 10, 
1046 120.888   3.214   8.398 1 U         -2.988e+03  0.00e+00 m   0  148  151  149 0 #N 10, HA 10, HN 10, 
1047 120.888   1.919   8.398 1 U         -1.073e+04  0.00e+00 m   0  148  153  149 0 #N 10, HB 10, HN 10, 
1048 120.888   1.077   8.398 1 U         -1.372e+04  0.00e+00 m   0  148  154  149 0 #N 10, QG1 10, HN 10, 
1049 120.888   0.978   8.398 1 U         -6.395e+03  0.00e+00 m   0  148  155  149 0 #N 10, QG2 10, HN 10, 
1050 116.769   9.045   9.045 1 U         -1.181e+04  0.00e+00 m   0  166  167  167 0 #N 11, HN 11, HN 11, 
1051 116.769   3.513   9.045 1 U         -4.124e+03  0.00e+00 m   0  166  169  167 0 #N 11, HA1 11, HN 11, 
1052 116.769   4.528   9.045 1 U         -4.726e+03  0.00e+00 m   0  166  170  167 0 #N 11, HA2 11, HN 11, 
1053 122.309   8.245   8.245 1 U         -3.404e+04  0.00e+00 m   0  173  174  174 0 #N 12, HN 12, HN 12, 
1054 122.309   4.694   8.245 1 U         -6.636e+03  0.00e+00 m   0  173  176  174 0 #N 12, HA 12, HN 12, 
1055 122.309   2.845   8.245 1 U         -4.493e+03  0.00e+00 m   0  173  178  174 0 #N 12, HB2 12, HN 12, 
1056 122.309   2.992   8.245 1 U         -5.720e+03  0.00e+00 m   0  173  179  174 0 #N 12, HB3 12, HN 12, 
1057 114.760   8.585   8.585 1 U         -2.442e+04  0.00e+00 m   0  184  185  185 0 #N 13, HN 13, HN 13, 
1058 114.760   5.181   8.585 1 U         -3.177e+03  0.00e+00 m   0  184  187  185 0 #N 13, HA 13, HN 13, 
1059 114.760   3.886   8.585 1 U         -5.768e+03  0.00e+00 m   0  184  189  185 0 #N 13, HB 13, HN 13, 
1060 114.760   1.036   8.585 1 U         -5.005e+03  0.00e+00 m   0  184  190  185 0 #N 13, QG2 13, HN 13, 
1061 117.334   9.285   9.285 1 U         -1.536e+04  0.00e+00 m   0  197  198  198 0 #N 14, HN 14, HN 14, 
1062 117.334   5.088   9.285 1 U         -2.110e+03  0.00e+00 m   0  197  200  198 0 #N 14, HA 14, HN 14, 
1063 117.334   2.136   9.285 1 U         -7.770e+02  0.00e+00 m   0  197  202  198 0 #N 14, HB 14, HN 14, 
1064 117.334   0.373   9.285 1 U         -5.029e+03  0.00e+00 m   0  197  203  198 0 #N 14, QG1 14, HN 14, 
1065 117.334   0.440   9.285 1 U         -8.964e+03  0.00e+00 m   0  197  204  198 0 #N 14, QG2 14, HN 14, 
1066 121.563   9.233   9.233 1 U         -9.946e+03  0.00e+00 m   0  215  216  216 0 #N 15, HN 15, HN 15, 
1067 121.563   5.234   9.233 1 U         -1.520e+03  0.00e+00 m   0  215  218  216 0 #N 15, HA 15, HN 15, 
1068 121.563   3.300   9.233 1 U         -1.137e+03  0.00e+00 m   0  215  220  216 0 #N 15, HB2 15, HN 15, 
1069 121.563   2.767   9.233 1 U         -1.648e+03  0.00e+00 m   0  215  221  216 0 #N 15, HB3 15, HN 15, 
1070 121.563   6.723   9.233 1 U         -1.083e+03  0.00e+00 m   0  215  229  216 0 #N 15, HD1 15, HN 15, 
1071 121.563   7.284   9.233 1 U         -1.566e+03  0.00e+00 m   0  215  230  216 0 #N 15, HE3 15, HN 15, 
1076 118.448   9.618   9.618 1 U         -8.941e+03  0.00e+00 m   0  239  240  240 0 #N 16, HN 16, HN 16, 
1077 118.448   5.404   9.618 1 U         -1.215e+03  0.00e+00 m   0  239  242  240 0 #N 16, HA 16, HN 16, 
1078 118.448   1.991   9.618 1 U         -2.707e+03  0.00e+00 m   0  239  244  240 0 #N 16, HB 16, HN 16, 
1079 118.448   0.925   9.618 1 U         -2.317e+03  0.00e+00 m   0  239  245  240 0 #N 16, QG1 16, HN 16, 
1080 118.448   0.823   9.618 1 U         -3.607e+03  0.00e+00 m   0  239  246  240 0 #N 16, QG2 16, HN 16, 
1081 129.147   8.830   8.830 1 U         -7.942e+03  0.00e+00 m   0  257  258  258 0 #N 17, HN 17, HN 17, 
1082 129.147   3.911   8.830 1 U         -1.039e+03  0.00e+00 m   0  257  260  258 0 #N 17, HA 17, HN 17, 
1083 129.147   1.100   8.830 1 U         -2.411e+03  0.00e+00 m   0  257  262  258 0 #N 17, HB2 17, HN 17, 
1084 129.147   0.595   8.830 1 U         -3.406e+03  0.00e+00 m   0  257  263  258 0 #N 17, HB3 17, HN 17, 
1085 129.147   0.892   8.830 1 U         -4.027e+03  0.00e+00 m   0  257  266  258 0 #N 17, HG2 17, HN 17, 
1086 129.147   0.604   8.830 1 U         -3.406e+03  0.00e+00 m   0  257  267  258 0 #N 17, HG3 17, HN 17, 
1089 124.771   8.402   8.402 1 U         -6.500e+03  0.00e+00 m   0  283  284  284 0 #N 18, HN 18, HN 18, 
1090 124.771   4.288   8.402 1 U         -1.275e+03  0.00e+00 m   0  283  286  284 0 #N 18, HA 18, HN 18, 
1091 124.771   1.502   8.402 1 U         -3.233e+03  0.00e+00 m   0  283  288  284 0 #N 18, HB2 18, HN 18, 
1092 124.771   1.766   8.402 1 U         -1.957e+03  0.00e+00 m   0  283  289  284 0 #N 18, HB3 18, HN 18, 
1093 124.771   1.548   8.402 1 U         -3.008e+03  0.00e+00 m   0  283  292  284 0 #N 18, HG2 18, HN 18, 
1094 124.771   1.548   8.402 1 U         -3.008e+03  0.00e+00 m   0  283  293  284 0 #N 18, HG3 18, HN 18, 
1095 124.771   3.084   8.402 1 U         -2.970e+02  0.00e+00 m   0  283  296  284 0 #N 18, HD2 18, HN 18, 
1096 124.771   3.085   8.402 1 U         -2.970e+02  0.00e+00 m   0  283  297  284 0 #N 18, HD3 18, HN 18, 
1097 120.020   8.033   8.033 1 U         -6.347e+03  0.00e+00 m   0  396  397  397 0 #N 24, HN 24, HN 24, 
1098 120.020   4.282   8.033 1 U         -3.516e+03  0.00e+00 m   0  396  399  397 0 #N 24, HA 24, HN 24, 
1099 120.020   1.557   8.033 1 U         -4.226e+03  0.00e+00 m   0  396  401  397 0 #N 24, HB2 24, HN 24, 
1100 120.020   1.733   8.033 1 U         -2.127e+03  0.00e+00 m   0  396  402  397 0 #N 24, HB3 24, HN 24, 
1101 120.020   1.557   8.033 1 U         -4.226e+03  0.00e+00 m   0  396  405  397 0 #N 24, HG 24, HN 24, 
1102 120.020   0.857   8.033 1 U         -3.590e+03  0.00e+00 m   0  396  406  397 0 #N 24, QD1 24, HN 24, 
1103 120.020   0.879   8.033 1 U         -3.590e+03  0.00e+00 m   0  396  407  397 0 #N 24, QD2 24, HN 24, 
1104 121.774   8.198   8.198 1 U         -2.719e+04  0.00e+00 m   0  418  419  419 0 #N 25, HN 25, HN 25, 
1105 121.774   4.507   8.198 1 U         -4.363e+03  0.00e+00 m   0  418  421  419 0 #N 25, HA 25, HN 25, 
1106 121.774   1.913   8.198 1 U         -5.977e+03  0.00e+00 m   0  418  423  419 0 #N 25, HB2 25, HN 25, 
1107 121.774   1.999   8.198 1 U         -5.568e+03  0.00e+00 m   0  418  424  419 0 #N 25, HB3 25, HN 25, 
1108 121.774   2.280   8.198 1 U         -6.556e+03  0.00e+00 m   0  418  429  419 0 #N 25, QG 25, HN 25, 
1109 123.334   9.789   9.789 1 U         -1.221e+04  0.00e+00 m   0  499  500  500 0 #N 29, HN 29, HN 29, 
1110 123.334   5.095   9.789 1 U         -2.691e+03  0.00e+00 m   0  499  502  500 0 #N 29, HA 29, HN 29, 
1111 123.334   1.982   9.789 1 U         -2.855e+03  0.00e+00 m   0  499  504  500 0 #N 29, HB2 29, HN 29, 
1112 123.334   2.105   9.789 1 U         -1.548e+03  0.00e+00 m   0  499  505  500 0 #N 29, HB3 29, HN 29, 
1113 123.334   1.588   9.789 1 U         -3.721e+03  0.00e+00 m   0  499  508  500 0 #N 29, HG2 29, HN 29, 
1114 123.334   1.550   9.789 1 U         -3.289e+03  0.00e+00 m   0  499  509  500 0 #N 29, HG3 29, HN 29, 
1115 123.334   1.727   9.789 1 U         -1.259e+03  0.00e+00 m   0  499  512  500 0 #N 29, HD2 29, HN 29, 
1116 123.334   1.801   9.789 1 U         -9.510e+02  0.00e+00 m   0  499  513  500 0 #N 29, HD3 29, HN 29, 
1117 123.334   2.962   9.789 1 U         -1.803e+03  0.00e+00 m   0  499  518  500 0 #N 29, QE 29, HN 29, 
1118 109.451   8.113   8.113 1 U         -1.385e+04  0.00e+00 m   0  524  525  525 0 #N 30, HN 30, HN 30, 
1119 109.451   2.331   8.113 1 U         -1.524e+03  0.00e+00 m   0  524  527  525 0 #N 30, HA1 30, HN 30, 
1120 109.451   3.546   8.113 1 U         -1.971e+03  0.00e+00 m   0  524  528  525 0 #N 30, HA2 30, HN 30, 
1121 119.358   9.160   9.160 1 U         -1.377e+04  0.00e+00 m   0  531  532  532 0 #N 32, HN 32, HN 32, 
1122 119.358   4.988   9.160 1 U         -1.697e+03  0.00e+00 m   0  531  534  532 0 #N 32, HA 32, HN 32, 
1123 119.358   3.034   9.160 1 U         -1.407e+03  0.00e+00 m   0  531  536  532 0 #N 32, HB2 32, HN 32, 
1124 119.358   2.263   9.160 1 U         -2.269e+03  0.00e+00 m   0  531  537  532 0 #N 32, HB3 32, HN 32, 
1125 119.358   7.160   9.160 1 U         -2.422e+03  0.00e+00 m   0  531  539  532 0 #N 32, QD 32, HN 32, 
1126 119.358   6.589   9.160 1 U         -6.430e+02  0.00e+00 m   0  531  540  532 0 #N 32, QE 32, HN 32, 
1127 118.079   9.199   9.199 1 U         -2.118e+04  0.00e+00 m   0  554  555  555 0 #N 33, HN 33, HN 33, 
1128 118.079   4.898   9.199 1 U         -2.289e+03  0.00e+00 m   0  554  557  555 0 #N 33, HA 33, HN 33, 
1129 118.079   3.877   9.199 1 U         -6.933e+03  0.00e+00 m   0  554  559  555 0 #N 33, HB 33, HN 33, 
1131 126.110   9.033   9.033 1 U         -1.568e+04  0.00e+00 m   0  567  568  568 0 #N 34, HN 34, HN 34, 
1132 126.110   3.746   9.033 1 U         -1.049e+03  0.00e+00 m   0  567  570  568 0 #N 34, HA 34, HN 34, 
1133 126.110   2.330   9.033 1 U         -3.556e+03  0.00e+00 m   0  567  572  568 0 #N 34, HB 34, HN 34, 
1134 126.110   0.845   9.033 1 U         -8.237e+03  0.00e+00 m   0  567  573  568 0 #N 34, QG1 34, HN 34, 
1135 126.110   0.759   9.033 1 U         -3.828e+03  0.00e+00 m   0  567  574  568 0 #N 34, QG2 34, HN 34, 
1136 130.353   9.618   9.618 1 U         -5.985e+03  0.00e+00 m   0  585  586  586 0 #N 35, HN 35, HN 35, 
1137 130.353   4.537   9.618 1 U         -2.005e+03  0.00e+00 m   0  585  588  586 0 #N 35, HA 35, HN 35, 
1138 130.353   1.422   9.618 1 U         -1.620e+03  0.00e+00 m   0  585  590  586 0 #N 35, HB2 35, HN 35, 
1139 130.353   1.324   9.618 1 U         -1.626e+03  0.00e+00 m   0  585  591  586 0 #N 35, HB3 35, HN 35, 
1140 130.353   1.520   9.618 1 U         -1.934e+03  0.00e+00 m   0  585  594  586 0 #N 35, HG 35, HN 35, 
1141 130.353   0.738   9.618 1 U         -4.243e+03  0.00e+00 m   0  585  595  586 0 #N 35, QD1 35, HN 35, 
1142 130.353   0.776   9.618 1 U         -4.957e+03  0.00e+00 m   0  585  596  586 0 #N 35, QD2 35, HN 35, 
1143 116.951   7.601   7.601 1 U         -2.574e+04  0.00e+00 m   0  607  608  608 0 #N 36, HN 36, HN 36, 
1144 116.951   4.795   7.601 1 U         -4.414e+03  0.00e+00 m   0  607  610  608 0 #N 36, HA 36, HN 36, 
1145 116.951   1.454   7.601 1 U         -5.335e+03  0.00e+00 m   0  607  612  608 0 #N 36, HB2 36, HN 36, 
1146 116.951   1.661   7.601 1 U         -3.434e+03  0.00e+00 m   0  607  613  608 0 #N 36, HB3 36, HN 36, 
1147 116.951   0.911   7.601 1 U         -3.840e+03  0.00e+00 m   0  607  617  608 0 #N 36, QD1 36, HN 36, 
1148 116.951   1.046   7.601 1 U         -4.675e+03  0.00e+00 m   0  607  618  608 0 #N 36, QD2 36, HN 36, 
1149 110.485   8.733   8.733 1 U         -4.403e+04  0.00e+00 m   0  629  630  630 0 #N 37, HN 37, HN 37, 
1150 110.485   5.378   8.733 1 U         -2.928e+03  0.00e+00 m   0  629  632  630 0 #N 37, HA 37, HN 37, 
1151 110.485   4.546   8.733 1 U         -1.644e+03  0.00e+00 m   0  629  634  630 0 #N 37, HB 37, HN 37, 
1152 110.485   1.236   8.733 1 U         -6.106e+03  0.00e+00 m   0  629  635  630 0 #N 37, QG2 37, HN 37, 
1153 115.133   9.020   9.020 1 U         -2.108e+04  0.00e+00 m   0  642  643  643 0 #N 38, HN 38, HN 38, 
1154 115.133   4.915   9.020 1 U         -3.241e+03  0.00e+00 m   0  642  645  643 0 #N 38, HA 38, HN 38, 
1155 115.133   4.619   9.020 1 U         -2.317e+03  0.00e+00 m   0  642  647  643 0 #N 38, HB 38, HN 38, 
1156 115.133   0.910   9.020 1 U         -4.641e+03  0.00e+00 m   0  642  648  643 0 #N 38, QG2 38, HN 38, 
1157 130.693   7.512   7.512 1 U         -7.862e+03  0.00e+00 m   0  671  672  672 0 #N 40, HN 40, HN 40, 
1158 130.693   4.674   7.512 1 U         -2.357e+03  0.00e+00 m   0  671  674  672 0 #N 40, HA 40, HN 40, 
1159 130.693   4.323   7.512 1 U         -4.550e+02  0.00e+00 m   0  671  676  672 0 #N 40, HB 40, HN 40, 
1160 130.693   1.047   7.512 1 U         -4.078e+03  0.00e+00 m   0  671  677  672 0 #N 40, QG2 40, HN 40, 
1161 126.151   7.986   7.986 1 U         -3.050e+04  0.00e+00 m   0  684  685  685 0 #N 41, HN 41, HN 41, 
1162 126.151   5.174   7.986 1 U         -5.222e+03  0.00e+00 m   0  684  687  685 0 #N 41, HA 41, HN 41, 
1163 126.151   1.279   7.986 1 U         -1.734e+04  0.00e+00 m   0  684  688  685 0 #N 41, QB 41, HN 41, 
1164 116.828   9.373   9.373 1 U         -1.709e+04  0.00e+00 m   0  694  695  695 0 #N 42, HN 42, HN 42, 
1165 116.828   5.278   9.373 1 U         -2.084e+03  0.00e+00 m   0  694  697  695 0 #N 42, HA 42, HN 42, 
1166 116.828   1.830   9.373 1 U         -1.345e+03  0.00e+00 m   0  694  699  695 0 #N 42, HB2 42, HN 42, 
1167 116.828   1.667   9.373 1 U         -3.120e+03  0.00e+00 m   0  694  700  695 0 #N 42, HB3 42, HN 42, 
1168 116.828   1.545   9.373 1 U         -3.800e+03  0.00e+00 m   0  694  703  695 0 #N 42, HG 42, HN 42, 
1169 116.828   0.555   9.373 1 U         -3.891e+03  0.00e+00 m   0  694  704  695 0 #N 42, QD1 42, HN 42, 
1170 116.828   0.575   9.373 1 U         -3.891e+03  0.00e+00 m   0  694  705  695 0 #N 42, QD2 42, HN 42, 
1171 120.408   8.478   8.478 1 U         -1.877e+04  0.00e+00 m   0  716  717  717 0 #N 43, HN 43, HN 43, 
1172 120.408   4.678   8.478 1 U         -1.068e+03  0.00e+00 m   0  716  719  717 0 #N 43, HA 43, HN 43, 
1173 120.408   1.231   8.478 1 U         -5.037e+03  0.00e+00 m   0  716  721  717 0 #N 43, HB2 43, HN 43, 
1174 120.408   0.301   8.478 1 U         -3.715e+03  0.00e+00 m   0  716  722  717 0 #N 43, HB3 43, HN 43, 
1175 120.408   0.591   8.478 1 U         -4.283e+03  0.00e+00 m   0  716  725  717 0 #N 43, HG2 43, HN 43, 
1176 120.408   0.360   8.478 1 U         -3.333e+03  0.00e+00 m   0  716  726  717 0 #N 43, HG3 43, HN 43, 
1177 120.408   0.786   8.478 1 U         -5.110e+03  0.00e+00 m   0  716  729  717 0 #N 43, HD2 43, HN 43, 
1178 120.408   0.785   8.478 1 U         -5.110e+03  0.00e+00 m   0  716  730  717 0 #N 43, HD3 43, HN 43, 
1181 118.625   9.829   9.829 1 U         -7.476e+03  0.00e+00 m   0  741  742  742 0 #N 44, HN 44, HN 44, 
1182 118.625   5.083   9.829 1 U         -9.890e+02  0.00e+00 m   0  741  744  742 0 #N 44, HA 44, HN 44, 
1183 118.625   1.961   9.829 1 U         -4.760e+02  0.00e+00 m   0  741  746  742 0 #N 44, HB 44, HN 44, 
1184 118.625   0.316   9.829 1 U         -5.624e+03  0.00e+00 m   0  741  747  742 0 #N 44, QG1 44, HN 44, 
1185 118.625   0.425   9.829 1 U         -2.614e+03  0.00e+00 m   0  741  748  742 0 #N 44, QG2 44, HN 44, 
1186 120.987   8.548   8.548 1 U         -1.611e+04  0.00e+00 m   0  759  760  760 0 #N 45, HN 45, HN 45, 
1187 120.987   4.339   8.548 1 U         -2.916e+03  0.00e+00 m   0  759  762  760 0 #N 45, HA 45, HN 45, 
1188 120.987   2.973   8.548 1 U         -5.833e+03  0.00e+00 m   0  759  764  760 0 #N 45, HB2 45, HN 45, 
1189 120.987   2.495   8.548 1 U         -4.726e+03  0.00e+00 m   0  759  765  760 0 #N 45, HB3 45, HN 45, 
1190 112.027   8.291   8.291 1 U         -9.737e+03  0.00e+00 m   0  770  771  771 0 #N 46, HN 46, HN 46, 
1191 112.027   4.316   8.291 1 U         -1.036e+04  0.00e+00 m   0  770  773  771 0 #N 46, HA1 46, HN 46, 
1192 112.027   3.678   8.291 1 U         -4.914e+03  0.00e+00 m   0  770  774  771 0 #N 46, HA2 46, HN 46, 
1193 120.119   7.016   7.016 1 U         -2.008e+04  0.00e+00 m   0  777  778  778 0 #N 47, HN 47, HN 47, 
1194 120.119   4.159   7.016 1 U         -3.579e+03  0.00e+00 m   0  777  780  778 0 #N 47, HA 47, HN 47, 
1195 120.119   1.521   7.016 1 U         -6.009e+03  0.00e+00 m   0  777  782  778 0 #N 47, HB 47, HN 47, 
1196 120.119   0.852   7.016 1 U         -9.657e+03  0.00e+00 m   0  777  783  778 0 #N 47, QG2 47, HN 47, 
1197 120.119   0.854   7.016 1 U         -9.657e+03  0.00e+00 m   0  777  789  778 0 #N 47, HG12 47, HN 47, 
1198 120.119   0.679   7.016 1 U         -4.703e+03  0.00e+00 m   0  777  790  778 0 #N 47, HG13 47, HN 47, 
1199 120.119   0.286   7.016 1 U         -1.171e+04  0.00e+00 m   0  777  792  778 0 #N 47, QD1 47, HN 47, 
1200 120.136   7.312   7.312 1 U         -7.217e+04  0.00e+00 m   0  808  809  809 0 #N 49, HN 49, HN 49, 
1201 120.136   4.351   7.312 1 U         -9.771e+03  0.00e+00 m   0  808  811  809 0 #N 49, HA 49, HN 49, 
1202 120.136   1.356   7.312 1 U         -5.380e+04  0.00e+00 m   0  808  812  809 0 #N 49, QB 49, HN 49, 
1203 118.893   8.253   8.253 1 U         -3.313e+04  0.00e+00 m   0  818  819  819 0 #N 50, HN 50, HN 50, 
1204 118.893   4.284   8.253 1 U         -6.861e+03  0.00e+00 m   0  818  821  819 0 #N 50, HA 50, HN 50, 
1205 118.893   2.984   8.253 1 U         -7.498e+03  0.00e+00 m   0  818  823  819 0 #N 50, HB2 50, HN 50, 
1206 118.893   2.885   8.253 1 U         -6.435e+03  0.00e+00 m   0  818  824  819 0 #N 50, HB3 50, HN 50, 
1207 118.893   7.396   8.253 1 U         -5.600e+03  0.00e+00 m   0  818  832  819 0 #N 50, HD1 50, HN 50, 
1208 118.893   7.201   8.253 1 U         -1.273e+03  0.00e+00 m   0  818  833  819 0 #N 50, HE3 50, HN 50, 
1213 124.675   9.595   9.595 1 U         -1.534e+04  0.00e+00 m   0  842  843  843 0 #N 51, HN 51, HN 51, 
1214 124.675   4.360   9.595 1 U         -4.198e+03  0.00e+00 m   0  842  845  843 0 #N 51, HA 51, HN 51, 
1215 124.675   1.681   9.595 1 U         -5.383e+03  0.00e+00 m   0  842  847  843 0 #N 51, HB 51, HN 51, 
1216 124.675   1.036   9.595 1 U         -2.739e+03  0.00e+00 m   0  842  848  843 0 #N 51, QG2 51, HN 51, 
1217 124.675   1.475   9.595 1 U         -2.731e+03  0.00e+00 m   0  842  854  843 0 #N 51, HG12 51, HN 51, 
1218 124.675   1.139   9.595 1 U         -2.727e+03  0.00e+00 m   0  842  855  843 0 #N 51, HG13 51, HN 51, 
1219 124.675   0.677   9.595 1 U         -2.320e+03  0.00e+00 m   0  842  857  843 0 #N 51, QD1 51, HN 51, 
1220 127.524   9.031   9.031 1 U         -1.704e+04  0.00e+00 m   0  863  864  864 0 #N 52, HN 52, HN 52, 
1221 127.524   4.449   9.031 1 U         -3.868e+03  0.00e+00 m   0  863  866  864 0 #N 52, HA 52, HN 52, 
1222 127.524   3.006   9.031 1 U         -9.946e+03  0.00e+00 m   0  863  868  864 0 #N 52, HB2 52, HN 52, 
1223 127.524   2.963   9.031 1 U         -8.828e+03  0.00e+00 m   0  863  869  864 0 #N 52, HB3 52, HN 52, 
1225 126.220   7.973   7.973 1 U         -3.708e+04  0.00e+00 m   0  880  881  881 0 #N 53, HN 53, HN 53, 
1226 126.220   3.761   7.973 1 U         -4.754e+03  0.00e+00 m   0  880  883  881 0 #N 53, HA 53, HN 53, 
1227 126.220   1.239   7.973 1 U         -2.076e+04  0.00e+00 m   0  880  884  881 0 #N 53, QB 53, HN 53, 
1228 119.934   9.546   9.546 1 U         -1.448e+04  0.00e+00 m   0  890  891  891 0 #N 54, HN 54, HN 54, 
1229 119.934   4.300   9.546 1 U         -3.361e+03  0.00e+00 m   0  890  893  891 0 #N 54, HA 54, HN 54, 
1230 119.934   1.256   9.546 1 U         -1.450e+04  0.00e+00 m   0  890  894  891 0 #N 54, QB 54, HN 54, 
1231 116.990   8.347   8.347 1 U         -2.754e+04  0.00e+00 m   0  900  901  901 0 #N 55, HN 55, HN 55, 
1232 116.990   4.937   8.347 1 U         -4.567e+03  0.00e+00 m   0  900  903  901 0 #N 55, HA 55, HN 55, 
1233 116.990   3.247   8.347 1 U         -4.874e+03  0.00e+00 m   0  900  905  901 0 #N 55, HB2 55, HN 55, 
1234 116.990   3.667   8.347 1 U         -3.931e+03  0.00e+00 m   0  900  906  901 0 #N 55, HB3 55, HN 55, 
1235 116.990   6.937   8.347 1 U         -1.871e+03  0.00e+00 m   0  900  914  901 0 #N 55, HD2 55, HN 55, 
1236 115.885   7.591   7.591 1 U         -5.161e+04  0.00e+00 m   0  917  918  918 0 #N 56, HN 56, HN 56, 
1237 115.885   5.535   7.591 1 U         -2.871e+03  0.00e+00 m   0  917  920  918 0 #N 56, HA 56, HN 56, 
1238 115.885   1.958   7.591 1 U         -7.339e+03  0.00e+00 m   0  917  922  918 0 #N 56, HB 56, HN 56, 
1239 115.885   0.600   7.591 1 U         -6.765e+03  0.00e+00 m   0  917  923  918 0 #N 56, QG1 56, HN 56, 
1240 115.885   0.765   7.591 1 U         -1.015e+04  0.00e+00 m   0  917  924  918 0 #N 56, QG2 56, HN 56, 
1241 123.532   8.981   8.981 1 U         -6.524e+03  0.00e+00 m   0  935  936  936 0 #N 57, HN 57, HN 57, 
1242 123.532   4.821   8.981 1 U         -1.353e+03  0.00e+00 m   0  935  938  936 0 #N 57, HA 57, HN 57, 
1243 123.532   1.448   8.981 1 U         -1.120e+03  0.00e+00 m   0  935  940  936 0 #N 57, HB2 57, HN 57, 
1244 123.532   1.360   8.981 1 U         -7.540e+02  0.00e+00 m   0  935  941  936 0 #N 57, HB3 57, HN 57, 
1245 123.532   0.912   8.981 1 U         -1.628e+03  0.00e+00 m   0  935  945  936 0 #N 57, HG3 57, HN 57, 
1246 123.532   0.782   8.981 1 U         -2.175e+03  0.00e+00 m   0  935  946  936 0 #N 57, HG2 57, HN 57, 
1247 123.532   0.793   8.981 1 U         -2.175e+03  0.00e+00 m   0  935  948  936 0 #N 57, HD2 57, HN 57, 
1248 123.532   0.736   8.981 1 U         -1.234e+03  0.00e+00 m   0  935  949  936 0 #N 57, HD3 57, HN 57, 
1250 123.532   2.150   8.981 1 U         -8.610e+02  0.00e+00 m   0  935  953  936 0 #N 57, HE3 57, HN 57, 
1251 124.964   8.959   8.959 1 U         -1.200e+04  0.00e+00 m   0  960  961  961 0 #N 58, HN 58, HN 58, 
1252 124.964   4.493   8.959 1 U         -2.076e+03  0.00e+00 m   0  960  963  961 0 #N 58, HA 58, HN 58, 
1253 124.964   1.599   8.959 1 U         -1.075e+04  0.00e+00 m   0  960  964  961 0 #N 58, QB 58, HN 58, 
1254 121.813   7.931   7.931 1 U         -3.354e+04  0.00e+00 m   0  970  971  971 0 #N 59, HN 59, HN 59, 
1255 121.813   4.345   7.931 1 U         -4.487e+03  0.00e+00 m   0  970  973  971 0 #N 59, HA 59, HN 59, 
1256 121.813   1.019   7.931 1 U         -7.680e+03  0.00e+00 m   0  970  974  971 0 #N 59, QB 59, HN 59, 
1257 108.630   8.526   8.526 1 U         -8.532e+03  0.00e+00 m   0 1007 1008 1008 0 #N 62, HN 62, HN 62, 
1258 108.630   3.882   8.526 1 U         -6.990e+03  0.00e+00 m   0 1007 1010 1008 0 #N 62, HA1 62, HN 62, 
1259 108.630   3.951   8.526 1 U         -6.242e+03  0.00e+00 m   0 1007 1011 1008 0 #N 62, HA2 62, HN 62, 
1260 108.700   8.142   8.142 1 U         -9.055e+03  0.00e+00 m   0 1014 1015 1015 0 #N 63, HN 63, HN 63, 
1261 108.700   3.979   8.142 1 U         -1.168e+04  0.00e+00 m   0 1014 1017 1015 0 #N 63, HA1 63, HN 63, 
1262 108.700   3.979   8.142 1 U         -1.168e+04  0.00e+00 m   0 1014 1018 1015 0 #N 63, HA2 63, HN 63, 
1263 109.030   8.230   8.230 1 U         -1.425e+04  0.00e+00 m   0 1021 1022 1022 0 #N 64, HN 64, HN 64, 
1264 109.030   4.053   8.230 1 U         -1.075e+04  0.00e+00 m   0 1021 1024 1022 0 #N 64, HA1 64, HN 64, 
1265 109.030   4.063   8.230 1 U         -1.130e+04  0.00e+00 m   0 1021 1025 1022 0 #N 64, HA2 64, HN 64, 
1266 116.093   8.403   8.403 1 U          6.200e+01  0.00e+00 m   0 1044 1045 1045 0 #N 66, HN 66, HN 66, 
1267 116.093   4.360   8.403 1 U          1.220e+02  0.00e+00 m   0 1044 1047 1045 0 #N 66, HA 66, HN 66, 
1268 116.093   3.752   8.403 1 U         -5.100e+01  0.00e+00 m   0 1044 1049 1045 0 #N 66, HB2 66, HN 66, 
1269 116.093   3.687   8.403 1 U          2.900e+01  0.00e+00 m   0 1044 1050 1045 0 #N 66, HB3 66, HN 66, 
1270 116.979   8.220   8.220 1 U         -1.028e+03  0.00e+00 m   0 1054 1055 1055 0 #N 67, HN 67, HN 67, 
1271 116.979   4.375   8.220 1 U         -6.940e+02  0.00e+00 m   0 1054 1057 1055 0 #N 67, HA 67, HN 67, 
1272 116.979   4.256   8.220 1 U          2.036e+03  0.00e+00 m   0 1054 1059 1055 0 #N 67, HB2 67, HN 67, 
1273 116.979   4.300   8.220 1 U          3.000e+03  0.00e+00 m   0 1054 1060 1055 0 #N 67, HB3 67, HN 67, 
1274 120.079   8.089   8.089 1 U         -5.720e+03  0.00e+00 m   0 1064 1065 1065 0 #N 68, HN 68, HN 68, 
1275 120.079   4.348   8.089 1 U          4.610e+02  0.00e+00 m   0 1064 1067 1065 0 #N 68, HA 68, HN 68, 
1276 120.079   1.851   8.089 1 U         -7.010e+02  0.00e+00 m   0 1064 1069 1065 0 #N 68, HB2 68, HN 68, 
1277 120.079   1.719   8.089 1 U         -7.100e+02  0.00e+00 m   0 1064 1070 1065 0 #N 68, HB3 68, HN 68, 
1278 120.079   1.606   8.089 1 U         -2.820e+02  0.00e+00 m   0 1064 1075 1065 0 #N 68, QG 68, HN 68, 
1280 121.919   7.992   7.992 1 U         -1.498e+04  0.00e+00 m   0 1090 1091 1091 0 #N 69, HN 69, HN 69, 
1281 121.919   4.359   7.992 1 U         -1.084e+04  0.00e+00 m   0 1090 1093 1091 0 #N 69, HA 69, HN 69, 
1282 121.919   1.570   7.992 1 U         -1.146e+04  0.00e+00 m   0 1090 1095 1091 0 #N 69, HB2 69, HN 69, 
1283 121.919   1.309   7.992 1 U         -2.638e+03  0.00e+00 m   0 1090 1096 1091 0 #N 69, HB3 69, HN 69, 
1284 121.919   1.550   7.992 1 U         -9.759e+03  0.00e+00 m   0 1090 1099 1091 0 #N 69, HG 69, HN 69, 
1285 121.919   0.801   7.992 1 U         -4.306e+03  0.00e+00 m   0 1090 1100 1091 0 #N 69, QD1 69, HN 69, 
1286 121.919   0.762   7.992 1 U         -5.511e+03  0.00e+00 m   0 1090 1101 1091 0 #N 69, QD2 69, HN 69, 
1287 115.904   8.200   8.200 1 U         -1.427e+04  0.00e+00 m   0 1112 1113 1113 0 #N 70, HN 70, HN 70, 
1288 115.904   4.441   8.200 1 U         -3.715e+03  0.00e+00 m   0 1112 1115 1113 0 #N 70, HA 70, HN 70, 
1289 115.904   4.054   8.200 1 U         -2.823e+03  0.00e+00 m   0 1112 1117 1113 0 #N 70, HB 70, HN 70, 
1290 115.904   1.199   8.200 1 U         -3.811e+03  0.00e+00 m   0 1112 1118 1113 0 #N 70, QG2 70, HN 70, 
1291 124.063   8.105   8.105 1 U         -2.767e+03  0.00e+00 m   0 1125 1126 1126 0 #N 71, HN 71, HN 71, 
1292 124.063   4.932   8.105 1 U         -6.700e+02  0.00e+00 m   0 1125 1128 1126 0 #N 71, HA 71, HN 71, 
1293 124.063   3.253   8.105 1 U         -1.410e+02  0.00e+00 m   0 1125 1130 1126 0 #N 71, HB2 71, HN 71, 
1294 124.063   2.980   8.105 1 U         -8.760e+02  0.00e+00 m   0 1125 1131 1126 0 #N 71, HB3 71, HN 71, 
1295 124.063   7.172   8.105 1 U         -9.500e+02  0.00e+00 m   0 1125 1139 1126 0 #N 71, HD1 71, HN 71, 
1301 118.953   9.232   9.232 1 U         -3.601e+03  0.00e+00 m   0 1149 1150 1150 0 #N 72, HN 72, HN 72, 
1302 118.953   4.749   9.232 1 U         -1.319e+03  0.00e+00 m   0 1149 1152 1150 0 #N 72, HA 72, HN 72, 
1303 118.953   1.808   9.232 1 U         -1.600e+03  0.00e+00 m   0 1149 1154 1150 0 #N 72, HB2 72, HN 72, 
1304 118.953   1.811   9.232 1 U         -1.600e+03  0.00e+00 m   0 1149 1155 1150 0 #N 72, HB3 72, HN 72, 
1305 118.953   1.664   9.232 1 U         -8.770e+02  0.00e+00 m   0 1149 1158 1150 0 #N 72, HG2 72, HN 72, 
1306 118.953   1.540   9.232 1 U         -1.188e+03  0.00e+00 m   0 1149 1159 1150 0 #N 72, HG3 72, HN 72, 
1309 122.126   8.829   8.829 1 U         -5.158e+03  0.00e+00 m   0 1175 1176 1176 0 #N 73, HN 73, HN 73, 
1310 122.126   4.617   8.829 1 U         -1.031e+03  0.00e+00 m   0 1175 1178 1176 0 #N 73, HA 73, HN 73, 
1311 122.126   2.117   8.829 1 U         -2.839e+03  0.00e+00 m   0 1175 1180 1176 0 #N 73, HB 73, HN 73, 
1312 122.126   0.983   8.829 1 U         -7.180e+03  0.00e+00 m   0 1175 1181 1176 0 #N 73, QG1 73, HN 73, 
1313 122.126   0.958   8.829 1 U         -6.130e+03  0.00e+00 m   0 1175 1182 1176 0 #N 73, QG2 73, HN 73, 
1314 127.607   9.321   9.321 1 U         -2.699e+03  0.00e+00 m   0 1193 1194 1194 0 #N 74, HN 74, HN 74, 
1315 127.607   4.764   9.321 1 U         -1.534e+03  0.00e+00 m   0 1193 1196 1194 0 #N 74, HA 74, HN 74, 
1316 127.607   2.130   9.321 1 U         -1.707e+03  0.00e+00 m   0 1193 1198 1194 0 #N 74, HB2 74, HN 74, 
1317 127.607   1.949   9.321 1 U         -1.005e+03  0.00e+00 m   0 1193 1199 1194 0 #N 74, HB3 74, HN 74, 
1318 127.607   2.320   9.321 1 U         -1.454e+03  0.00e+00 m   0 1193 1202 1194 0 #N 74, HG2 74, HN 74, 
1319 127.607   2.323   9.321 1 U         -1.454e+03  0.00e+00 m   0 1193 1203 1194 0 #N 74, HG3 74, HN 74, 
1322 125.323   8.904   8.904 1 U         -3.229e+03  0.00e+00 m   0 1211 1212 1212 0 #N 75, HN 75, HN 75, 
1323 125.323   4.407   8.904 1 U         -1.119e+03  0.00e+00 m   0 1211 1214 1212 0 #N 75, HA 75, HN 75, 
1324 125.323   1.999   8.904 1 U         -1.752e+03  0.00e+00 m   0 1211 1216 1212 0 #N 75, HB2 75, HN 75, 
1325 125.323   1.820   8.904 1 U         -1.849e+03  0.00e+00 m   0 1211 1217 1212 0 #N 75, HB3 75, HN 75, 
1326 125.323   1.627   8.904 1 U         -1.538e+03  0.00e+00 m   0 1211 1220 1212 0 #N 75, HG2 75, HN 75, 
1327 125.323   1.618   8.904 1 U         -1.962e+03  0.00e+00 m   0 1211 1221 1212 0 #N 75, HG3 75, HN 75, 
1330 118.632   8.643   8.643 1 U         -9.123e+03  0.00e+00 m   0 1237 1238 1238 0 #N 76, HN 76, HN 76, 
1331 118.632   4.820   8.643 1 U         -8.112e+03  0.00e+00 m   0 1237 1240 1238 0 #N 76, HA 76, HN 76, 
1332 118.632   4.139   8.643 1 U         -1.462e+03  0.00e+00 m   0 1237 1242 1238 0 #N 76, HB2 76, HN 76, 
1333 118.632   3.942   8.643 1 U         -1.674e+03  0.00e+00 m   0 1237 1243 1238 0 #N 76, HB3 76, HN 76, 
1334 119.693   8.294   8.294 1 U         -1.409e+03  0.00e+00 m   0 1265 1266 1266 0 #N 78, HN 78, HN 78, 
1335 119.693   5.096   8.294 1 U         -7.330e+02  0.00e+00 m   0 1265 1268 1266 0 #N 78, HA 78, HN 78, 
1336 119.693   2.975   8.294 1 U         -4.780e+02  0.00e+00 m   0 1265 1270 1266 0 #N 78, HB2 78, HN 78, 
1337 119.693   2.807   8.294 1 U         -9.170e+02  0.00e+00 m   0 1265 1271 1266 0 #N 78, HB3 78, HN 78, 
1340 115.336   8.128   8.128 1 U         -5.977e+03  0.00e+00 m   0 1295 1296 1296 0 #N 80, HN 80, HN 80, 
1341 115.336   4.389   8.128 1 U         -2.486e+03  0.00e+00 m   0 1295 1298 1296 0 #N 80, HA 80, HN 80, 
1342 115.336   1.957   8.128 1 U         -3.868e+03  0.00e+00 m   0 1295 1300 1296 0 #N 80, HB2 80, HN 80, 
1343 115.336   1.957   8.128 1 U         -3.868e+03  0.00e+00 m   0 1295 1301 1296 0 #N 80, HB3 80, HN 80, 
1344 115.336   1.588   8.128 1 U         -2.759e+03  0.00e+00 m   0 1295 1304 1296 0 #N 80, HG 80, HN 80, 
1345 115.336   0.592   8.128 1 U         -2.494e+03  0.00e+00 m   0 1295 1305 1296 0 #N 80, QD1 80, HN 80, 
1346 115.336   0.879   8.128 1 U         -2.354e+03  0.00e+00 m   0 1295 1306 1296 0 #N 80, QD2 80, HN 80, 
1347 119.997   7.705   7.705 1 U         -1.302e+04  0.00e+00 m   0 1317 1318 1318 0 #N 81, HN 81, HN 81, 
1348 119.997   5.559   7.705 1 U         -1.235e+03  0.00e+00 m   0 1317 1320 1318 0 #N 81, HA 81, HN 81, 
1349 119.997   1.765   7.705 1 U         -2.574e+03  0.00e+00 m   0 1317 1322 1318 0 #N 81, HB2 81, HN 81, 
1350 119.997   1.576   7.705 1 U         -4.084e+03  0.00e+00 m   0 1317 1323 1318 0 #N 81, HB3 81, HN 81, 
1351 119.997   1.197   7.705 1 U         -1.516e+03  0.00e+00 m   0 1317 1326 1318 0 #N 81, HG2 81, HN 81, 
1352 119.997   1.260   7.705 1 U         -1.843e+03  0.00e+00 m   0 1317 1327 1318 0 #N 81, HG3 81, HN 81, 
1353 119.997   1.615   7.705 1 U         -3.743e+03  0.00e+00 m   0 1317 1330 1318 0 #N 81, HD2 81, HN 81, 
1354 119.997   1.615   7.705 1 U         -3.743e+03  0.00e+00 m   0 1317 1331 1318 0 #N 81, HD3 81, HN 81, 
1357 118.802   8.628   8.628 1 U         -7.362e+03  0.00e+00 m   0 1342 1343 1343 0 #N 82, HN 82, HN 82, 
1358 118.802   4.867   8.628 1 U         -3.828e+03  0.00e+00 m   0 1342 1345 1343 0 #N 82, HA 82, HN 82, 
1359 118.802   1.831   8.628 1 U         -2.663e+03  0.00e+00 m   0 1342 1347 1343 0 #N 82, HB 82, HN 82, 
1360 118.802   0.934   8.628 1 U         -4.448e+03  0.00e+00 m   0 1342 1348 1343 0 #N 82, QG2 82, HN 82, 
1361 118.802   1.261   8.628 1 U         -1.542e+03  0.00e+00 m   0 1342 1354 1343 0 #N 82, HG12 82, HN 82, 
1362 118.802   1.085   8.628 1 U         -5.760e+02  0.00e+00 m   0 1342 1355 1343 0 #N 82, HG13 82, HN 82, 
1363 118.802   0.900   8.628 1 U         -3.390e+03  0.00e+00 m   0 1342 1357 1343 0 #N 82, QD1 82, HN 82, 
1364 122.168   8.741   8.741 1 U         -4.448e+03  0.00e+00 m   0 1363 1364 1364 0 #N 83, HN 83, HN 83, 
1365 122.168   5.241   8.741 1 U         -7.440e+02  0.00e+00 m   0 1363 1366 1364 0 #N 83, HA 83, HN 83, 
1366 122.168   1.736   8.741 1 U         -2.150e+03  0.00e+00 m   0 1363 1368 1364 0 #N 83, HB2 83, HN 83, 
1367 122.168   1.731   8.741 1 U         -2.150e+03  0.00e+00 m   0 1363 1369 1364 0 #N 83, HB3 83, HN 83, 
1368 122.168   1.534   8.741 1 U         -9.880e+02  0.00e+00 m   0 1363 1372 1364 0 #N 83, HG2 83, HN 83, 
1369 122.168   1.401   8.741 1 U         -4.510e+02  0.00e+00 m   0 1363 1373 1364 0 #N 83, HG3 83, HN 83, 
1372 125.993   9.109   9.109 1 U         -3.124e+03  0.00e+00 m   0 1389 1390 1390 0 #N 84, HN 84, HN 84, 
1373 125.993   5.545   9.109 1 U         -2.440e+02  0.00e+00 m   0 1389 1392 1390 0 #N 84, HA 84, HN 84, 
1374 125.993   1.539   9.109 1 U         -2.087e+03  0.00e+00 m   0 1389 1394 1390 0 #N 84, HB2 84, HN 84, 
1375 125.993   1.539   9.109 1 U         -2.087e+03  0.00e+00 m   0 1389 1395 1390 0 #N 84, HB3 84, HN 84, 
1376 125.993   1.534   9.109 1 U         -2.087e+03  0.00e+00 m   0 1389 1398 1390 0 #N 84, HG 84, HN 84, 
1377 125.993   0.540   9.109 1 U         -1.243e+03  0.00e+00 m   0 1389 1399 1390 0 #N 84, QD1 84, HN 84, 
1378 125.993   0.647   9.109 1 U         -6.760e+02  0.00e+00 m   0 1389 1400 1390 0 #N 84, QD2 84, HN 84, 
1379 114.993   9.128   9.128 1 U         -3.281e+03  0.00e+00 m   0 1411 1412 1412 0 #N 85, HN 85, HN 85, 
1380 114.993   5.464   9.128 1 U         -6.280e+02  0.00e+00 m   0 1411 1414 1412 0 #N 85, HA 85, HN 85, 
1381 114.993   4.111   9.128 1 U         -3.980e+02  0.00e+00 m   0 1411 1416 1412 0 #N 85, HB 85, HN 85, 
1382 114.993   1.180   9.128 1 U         -1.761e+03  0.00e+00 m   0 1411 1417 1412 0 #N 85, QG2 85, HN 85, 
1383 125.379   8.319   8.319 1 U         -3.309e+03  0.00e+00 m   0 1424 1425 1425 0 #N 86, HN 86, HN 86, 
1384 125.379   4.280   8.319 1 U         -1.024e+03  0.00e+00 m   0 1424 1427 1425 0 #N 86, HA 86, HN 86, 
1385 125.379   1.006   8.319 1 U         -6.530e+02  0.00e+00 m   0 1424 1429 1425 0 #N 86, HB2 86, HN 86, 
1386 125.379   0.532   8.319 1 U         -1.295e+03  0.00e+00 m   0 1424 1430 1425 0 #N 86, HB3 86, HN 86, 
1387 125.379   0.554   8.319 1 U         -1.295e+03  0.00e+00 m   0 1424 1433 1425 0 #N 86, HG2 86, HN 86, 
1388 125.379   0.480   8.319 1 U         -9.610e+02  0.00e+00 m   0 1424 1434 1425 0 #N 86, HG3 86, HN 86, 
1391 123.730   8.285   8.285 1 U         -1.054e+04  0.00e+00 m   0 1450 1451 1451 0 #N 87, HN 87, HN 87, 
1392 123.730   4.276   8.285 1 U         -5.752e+03  0.00e+00 m   0 1450 1453 1451 0 #N 87, HA 87, HN 87, 
1393 123.730   1.945   8.285 1 U         -3.040e+03  0.00e+00 m   0 1450 1455 1451 0 #N 87, HB2 87, HN 87, 
1394 123.730   1.741   8.285 1 U         -3.237e+03  0.00e+00 m   0 1450 1456 1451 0 #N 87, HB3 87, HN 87, 
1395 123.730   2.133   8.285 1 U         -4.010e+03  0.00e+00 m   0 1450 1459 1451 0 #N 87, HG2 87, HN 87, 
1396 123.730   2.131   8.285 1 U         -4.010e+03  0.00e+00 m   0 1450 1460 1451 0 #N 87, HG3 87, HN 87, 
1397 127.253   8.440   8.440 1 U         -4.679e+04  0.00e+00 m   0 1465 1466 1466 0 #N 88, HN 88, HN 88, 
1398 127.253   4.525   8.440 1 U         -6.226e+03  0.00e+00 m   0 1465 1468 1466 0 #N 88, HA 88, HN 88, 
1399 127.253   1.319   8.440 1 U         -2.452e+04  0.00e+00 m   0 1465 1469 1466 0 #N 88, QB 88, HN 88, 
1400 109.973   8.389   8.389 1 U         -3.056e+03  0.00e+00 m   0 1638 1639 1639 0 #N 210, HN 210, HN 210, 
1401 109.973   3.944   8.389 1 U         -3.277e+03  0.00e+00 m   0 1638 1641 1639 0 #N 210, HA1 210, HN 210, 
1402 109.973   3.948   8.389 1 U         -4.306e+03  0.00e+00 m   0 1638 1642 1639 0 #N 210, HA2 210, HN 210, 
1403 121.114   8.217   8.217 1 U         -9.873e+03  0.00e+00 m   0 1645 1646 1646 0 #N 211, HN 211, HN 211, 
1404 121.114   4.292   8.217 1 U         -2.650e+03  0.00e+00 m   0 1645 1648 1646 0 #N 211, HA 211, HN 211, 
1405 121.114   1.752   8.217 1 U         -3.772e+03  0.00e+00 m   0 1645 1650 1646 0 #N 211, HB2 211, HN 211, 
1406 121.114   1.857   8.217 1 U         -1.119e+03  0.00e+00 m   0 1645 1651 1646 0 #N 211, HB3 211, HN 211, 
1407 121.114   1.680   8.217 1 U         -3.755e+03  0.00e+00 m   0 1645 1654 1646 0 #N 211, HG2 211, HN 211, 
1408 121.114   1.555   8.217 1 U         -1.600e+03  0.00e+00 m   0 1645 1655 1646 0 #N 211, HG3 211, HN 211, 
1409 121.704   8.454   8.454 1 U         -4.760e+03  0.00e+00 m   0 1670 1671 1671 0 #N 212, HN 212, HN 212, 
1410 121.704   4.305   8.454 1 U         -4.789e+03  0.00e+00 m   0 1670 1673 1671 0 #N 212, HA 212, HN 212, 
1411 121.704   1.954   8.454 1 U         -2.275e+03  0.00e+00 m   0 1670 1675 1671 0 #N 212, HB2 212, HN 212, 
1412 121.704   2.086   8.454 1 U         -1.193e+03  0.00e+00 m   0 1670 1676 1671 0 #N 212, HB3 212, HN 212, 
1413 121.704   2.360   8.454 1 U         -8.130e+02  0.00e+00 m   0 1670 1679 1671 0 #N 212, HG2 212, HN 212, 
1414 121.704   2.360   8.454 1 U         -8.130e+02  0.00e+00 m   0 1670 1680 1671 0 #N 212, HG3 212, HN 212, 
1417 125.602   8.379   8.379 1 U         -1.644e+03  0.00e+00 m   0 1688 1689 1689 0 #N 213, HN 213, HN 213, 
1418 125.602   4.297   8.379 1 U         -3.698e+03  0.00e+00 m   0 1688 1691 1689 0 #N 213, HA 213, HN 213, 
1419 125.602   1.379   8.379 1 U         -2.606e+03  0.00e+00 m   0 1688 1692 1689 0 #N 213, QB 213, HN 213, 
1420 115.008   8.247   8.247 1 U         -6.510e+02  0.00e+00 m   0 1698 1699 1699 0 #N 214, HN 214, HN 214, 
1421 115.008   4.395   8.247 1 U         -5.540e+02  0.00e+00 m   0 1698 1701 1699 0 #N 214, HA 214, HN 214, 
1422 115.008   3.856   8.247 1 U         -1.259e+03  0.00e+00 m   0 1698 1703 1699 0 #N 214, HB2 214, HN 214, 
1423 115.008   3.856   8.247 1 U         -1.259e+03  0.00e+00 m   0 1698 1704 1699 0 #N 214, HB3 214, HN 214, 
1424 125.960   8.294   8.294 1 U         -1.466e+03  0.00e+00 m   0 1708 1709 1709 0 #N 215, HN 215, HN 215, 
1425 125.960   4.326   8.294 1 U         -5.640e+02  0.00e+00 m   0 1708 1711 1709 0 #N 215, HA 215, HN 215, 
1426 125.960   1.328   8.294 1 U         -2.542e+03  0.00e+00 m   0 1708 1712 1709 0 #N 215, QB 215, HN 215, 
1427 114.796   8.180   8.180 1 U         -3.658e+03  0.00e+00 m   0 1718 1719 1719 0 #N 216, HN 216, HN 216, 
1428 114.796   4.402   8.180 1 U         -1.717e+03  0.00e+00 m   0 1718 1721 1719 0 #N 216, HA 216, HN 216, 
1429 114.796   3.777   8.180 1 U         -2.988e+03  0.00e+00 m   0 1718 1723 1719 0 #N 216, HB2 216, HN 216, 
1430 114.796   3.784   8.180 1 U         -2.851e+03  0.00e+00 m   0 1718 1724 1719 0 #N 216, HB3 216, HN 216, 
1431 121.991   8.117   8.117 1 U         -1.123e+04  0.00e+00 m   0 1728 1729 1729 0 #N 217, HN 217, HN 217, 
1432 121.991   4.585   8.117 1 U         -4.351e+03  0.00e+00 m   0 1728 1731 1729 0 #N 217, HA 217, HN 217, 
1433 121.991   2.917   8.117 1 U         -4.164e+03  0.00e+00 m   0 1728 1733 1729 0 #N 217, HB2 217, HN 217, 
1434 121.991   3.057   8.117 1 U         -3.068e+03  0.00e+00 m   0 1728 1734 1729 0 #N 217, HB3 217, HN 217, 
1435 121.991   7.068   8.117 1 U         -2.221e+03  0.00e+00 m   0 1728 1736 1729 0 #N 217, QD 217, HN 217, 
1437 122.317   8.293   8.293 1 U         -4.210e+04  0.00e+00 m   0 1751 1752 1752 0 #N 218, HN 218, HN 218, 
1438 122.317   4.631   8.293 1 U         -1.260e+04  0.00e+00 m   0 1751 1754 1752 0 #N 218, HA 218, HN 218, 
1439 122.317   2.573   8.293 1 U         -9.157e+03  0.00e+00 m   0 1751 1756 1752 0 #N 218, HB2 218, HN 218, 
1440 122.317   2.681   8.293 1 U         -6.178e+03  0.00e+00 m   0 1751 1757 1752 0 #N 218, HB3 218, HN 218, 
1441 116.367   8.178   8.178 1 U         -4.557e+04  0.00e+00 m   0 1762 1763 1763 0 #N 219, HN 219, HN 219, 
1442 116.367   4.394   8.178 1 U         -9.237e+03  0.00e+00 m   0 1762 1765 1763 0 #N 219, HA 219, HN 219, 
1443 116.367   3.847   8.178 1 U         -8.021e+03  0.00e+00 m   0 1762 1767 1763 0 #N 219, HB2 219, HN 219, 
1444 116.367   3.910   8.178 1 U         -7.214e+03  0.00e+00 m   0 1762 1768 1763 0 #N 219, HB3 219, HN 219, 
1445 122.816   8.508   8.508 1 U         -1.356e+05  0.00e+00 m   0 1772 1773 1773 0 #N 220, HN 220, HN 220, 
1446 122.816   4.264   8.508 1 U         -5.232e+04  0.00e+00 m   0 1772 1775 1773 0 #N 220, HA 220, HN 220, 
1447 122.816   1.940   8.508 1 U         -3.499e+04  0.00e+00 m   0 1772 1777 1773 0 #N 220, HB2 220, HN 220, 
1448 122.816   2.045   8.508 1 U         -2.439e+04  0.00e+00 m   0 1772 1778 1773 0 #N 220, HB3 220, HN 220, 
1449 122.816   2.231   8.508 1 U         -2.044e+04  0.00e+00 m   0 1772 1781 1773 0 #N 220, HG2 220, HN 220, 
1450 122.816   2.296   8.508 1 U         -2.127e+04  0.00e+00 m   0 1772 1782 1773 0 #N 220, HG3 220, HN 220, 
1451 121.263   8.319   8.319 1 U         -1.558e+05  0.00e+00 m   0 1787 1788 1788 0 #N 221, HN 221, HN 221, 
1452 121.263   4.276   8.319 1 U         -4.885e+04  0.00e+00 m   0 1787 1790 1788 0 #N 221, HA 221, HN 221, 
1453 121.263   1.910   8.319 1 U         -2.950e+04  0.00e+00 m   0 1787 1792 1788 0 #N 221, HB2 221, HN 221, 
1454 121.263   2.058   8.319 1 U         -1.975e+04  0.00e+00 m   0 1787 1793 1788 0 #N 221, HB3 221, HN 221, 
1455 121.263   2.230   8.319 1 U         -1.779e+04  0.00e+00 m   0 1787 1796 1788 0 #N 221, HG2 221, HN 221, 
1456 121.263   2.280   8.319 1 U         -1.395e+04  0.00e+00 m   0 1787 1797 1788 0 #N 221, HG3 221, HN 221, 
1457 122.698   8.493   8.493 1 U         -1.156e+05  0.00e+00 m   0 1802 1803 1803 0 #N 222, HN 222, HN 222, 
1458 122.698   4.245   8.493 1 U         -4.788e+04  0.00e+00 m   0 1802 1805 1803 0 #N 222, HA 222, HN 222, 
1459 122.698   2.037   8.493 1 U         -2.455e+04  0.00e+00 m   0 1802 1807 1803 0 #N 222, HB2 222, HN 222, 
1460 122.698   1.949   8.493 1 U         -2.895e+04  0.00e+00 m   0 1802 1808 1803 0 #N 222, HB3 222, HN 222, 
1461 122.698   2.231   8.493 1 U         -1.813e+04  0.00e+00 m   0 1802 1811 1803 0 #N 222, HG2 222, HN 222, 
1462 122.698   2.276   8.493 1 U         -2.230e+04  0.00e+00 m   0 1802 1812 1803 0 #N 222, HG3 222, HN 222, 
1463 122.477   8.405   8.405 1 U         -1.213e+05  0.00e+00 m   0 1817 1818 1818 0 #N 223, HN 223, HN 223, 
1464 122.477   4.254   8.405 1 U         -5.645e+04  0.00e+00 m   0 1817 1820 1818 0 #N 223, HA 223, HN 223, 
1465 122.477   1.940   8.405 1 U         -2.503e+04  0.00e+00 m   0 1817 1822 1818 0 #N 223, HB2 223, HN 223, 
1466 122.477   2.038   8.405 1 U         -2.131e+04  0.00e+00 m   0 1817 1823 1818 0 #N 223, HB3 223, HN 223, 
1467 122.477   2.245   8.405 1 U         -1.556e+04  0.00e+00 m   0 1817 1826 1818 0 #N 223, HG2 223, HN 223, 
1468 122.477   2.276   8.405 1 U         -1.882e+04  0.00e+00 m   0 1817 1827 1818 0 #N 223, HG3 223, HN 223, 
1469 122.084   8.374   8.374 1 U         -1.156e+05  0.00e+00 m   0 1832 1833 1833 0 #N 224, HN 224, HN 224, 
1470 122.084   4.247   8.374 1 U         -5.917e+04  0.00e+00 m   0 1832 1835 1833 0 #N 224, HA 224, HN 224, 
1471 122.084   1.945   8.374 1 U         -2.699e+04  0.00e+00 m   0 1832 1837 1833 0 #N 224, HB2 224, HN 224, 
1472 122.084   2.041   8.374 1 U         -2.114e+04  0.00e+00 m   0 1832 1838 1833 0 #N 224, HB3 224, HN 224, 
1473 122.084   2.238   8.374 1 U         -1.572e+04  0.00e+00 m   0 1832 1841 1833 0 #N 224, HG2 224, HN 224, 
1474 122.084   2.274   8.374 1 U         -1.900e+04  0.00e+00 m   0 1832 1842 1833 0 #N 224, HG3 224, HN 224, 
1475 109.364   8.420   8.420 1 U         -3.022e+04  0.00e+00 m   0 1847 1848 1848 0 #N 225, HN 225, HN 225, 
1476 109.364   4.000   8.420 1 U         -7.748e+03  0.00e+00 m   0 1847 1850 1848 0 #N 225, HA1 225, HN 225, 
1477 109.364   3.558   8.420 1 U         -6.218e+03  0.00e+00 m   0 1847 1851 1848 0 #N 225, HA2 225, HN 225, 
1478 123.720   8.242   8.242 1 U         -1.754e+04  0.00e+00 m   0 1854 1855 1855 0 #N 226, HN 226, HN 226, 
1479 123.720   4.569   8.242 1 U         -4.067e+03  0.00e+00 m   0 1854 1857 1855 0 #N 226, HA 226, HN 226, 
1480 123.720   1.565   8.242 1 U         -6.990e+03  0.00e+00 m   0 1854 1859 1855 0 #N 226, HB2 226, HN 226, 
1481 123.720   1.568   8.242 1 U         -7.692e+03  0.00e+00 m   0 1854 1860 1855 0 #N 226, HB3 226, HN 226, 
1482 123.720   1.683   8.242 1 U         -5.150e+03  0.00e+00 m   0 1854 1863 1855 0 #N 226, HG 226, HN 226, 
1483 123.720   0.945   8.242 1 U         -5.375e+03  0.00e+00 m   0 1854 1864 1855 0 #N 226, QD1 226, HN 226, 
1484 123.720   0.900   8.242 1 U         -5.977e+03  0.00e+00 m   0 1854 1865 1855 0 #N 226, QD2 226, HN 226, 
1485 122.394   8.651   8.651 1 U         -4.647e+03  0.00e+00 m   0 1892 1893 1893 0 #N 228, HN 228, HN 228, 
1486 122.394   4.626   8.651 1 U         -1.747e+03  0.00e+00 m   0 1892 1895 1893 0 #N 228, HA 228, HN 228, 
1487 122.394   1.693   8.651 1 U         -9.210e+02  0.00e+00 m   0 1892 1897 1893 0 #N 228, HB2 228, HN 228, 
1488 122.394   2.127   8.651 1 U         -1.596e+03  0.00e+00 m   0 1892 1898 1893 0 #N 228, HB3 228, HN 228, 
1489 122.394   2.318   8.651 1 U         -2.042e+03  0.00e+00 m   0 1892 1901 1893 0 #N 228, HG2 228, HN 228, 
1490 122.394   2.318   8.651 1 U         -2.042e+03  0.00e+00 m   0 1892 1902 1893 0 #N 228, HG3 228, HN 228, 
1491 122.394   1.805   8.651 1 U         -2.578e+03  0.00e+00 m   0 1892 1904 1893 0 #N 228, QE 228, HN 228, 
1492 120.008   9.216   9.216 1 U         -1.715e+03  0.00e+00 m   0 1910 1911 1911 0 #N 229, HN 229, HN 229, 
1493 120.008   4.525   9.216 1 U         -1.267e+03  0.00e+00 m   0 1910 1913 1911 0 #N 229, HA 229, HN 229, 
1494 120.008   4.476   9.216 1 U         -6.790e+02  0.00e+00 m   0 1910 1915 1911 0 #N 229, HB2 229, HN 229, 
1495 120.008   4.476   9.216 1 U         -6.790e+02  0.00e+00 m   0 1910 1916 1911 0 #N 229, HB3 229, HN 229, 
1496 122.559   9.161   9.161 1 U         -1.440e+02  0.00e+00 m   0 1920 1921 1921 0 #N 230, HN 230, HN 230, 
1497 122.559   4.005   9.161 1 U         -1.300e+02  0.00e+00 m   0 1920 1923 1921 0 #N 230, HA 230, HN 230, 
1500 122.559   7.170   9.161 1 U         -1.360e+02  0.00e+00 m   0 1920 1928 1921 0 #N 230, QD 230, HN 230, 
1502 116.981   8.481   8.481 1 U         -2.807e+03  0.00e+00 m   0 1943 1944 1944 0 #N 231, HN 231, HN 231, 
1503 116.981   4.210   8.481 1 U         -1.321e+03  0.00e+00 m   0 1943 1946 1944 0 #N 231, HA 231, HN 231, 
1504 116.981   2.589   8.481 1 U         -2.478e+03  0.00e+00 m   0 1943 1948 1944 0 #N 231, HB2 231, HN 231, 
1505 116.981   2.623   8.481 1 U         -2.606e+03  0.00e+00 m   0 1943 1949 1944 0 #N 231, HB3 231, HN 231, 
1506 120.477   7.803   7.803 1 U         -9.339e+03  0.00e+00 m   0 1954 1955 1955 0 #N 232, HN 232, HN 232, 
1507 120.477   3.975   7.803 1 U         -5.950e+02  0.00e+00 m   0 1954 1957 1955 0 #N 232, HA 232, HN 232, 
1508 120.477   1.988   7.803 1 U         -5.010e+02  0.00e+00 m   0 1954 1959 1955 0 #N 232, HB2 232, HN 232, 
1509 120.477   2.277   7.803 1 U         -3.760e+02  0.00e+00 m   0 1954 1960 1955 0 #N 232, HB3 232, HN 232, 
1510 120.477   2.182   7.803 1 U         -5.900e+02  0.00e+00 m   0 1954 1963 1955 0 #N 232, HG2 232, HN 232, 
1511 120.477   2.394   7.803 1 U         -2.590e+02  0.00e+00 m   0 1954 1964 1955 0 #N 232, HG3 232, HN 232, 
1512 121.501   8.095   8.095 1 U         -4.391e+03  0.00e+00 m   0 1969 1970 1970 0 #N 233, HN 233, HN 233, 
1513 121.501   3.689   8.095 1 U         -4.360e+02  0.00e+00 m   0 1969 1972 1970 0 #N 233, HA 233, HN 233, 
1514 121.501   1.447   8.095 1 U         -3.400e+01  0.00e+00 m   0 1969 1974 1970 0 #N 233, HB2 233, HN 233, 
1518 121.501   1.604   8.095 1 U         -7.380e+02  0.00e+00 m   0 1969 1983 1970 0 #N 233, HD3 233, HN 233, 
1521 119.003   8.430   8.430 1 U         -1.682e+03  0.00e+00 m   0 1994 1995 1995 0 #N 234, HN 234, HN 234, 
1522 119.003   3.474   8.430 1 U         -5.510e+02  0.00e+00 m   0 1994 1997 1995 0 #N 234, HA 234, HN 234, 
1523 119.003   1.363   8.430 1 U         -1.900e+03  0.00e+00 m   0 1994 1999 1995 0 #N 234, HB2 234, HN 234, 
1524 119.003   1.738   8.430 1 U         -1.076e+03  0.00e+00 m   0 1994 2000 1995 0 #N 234, HB3 234, HN 234, 
1525 119.003   1.342   8.430 1 U         -1.745e+03  0.00e+00 m   0 1994 2003 1995 0 #N 234, HG2 234, HN 234, 
1526 119.003   1.342   8.430 1 U         -1.745e+03  0.00e+00 m   0 1994 2004 1995 0 #N 234, HG3 234, HN 234, 
1529 119.207   8.012   8.012 1 U         -3.806e+03  0.00e+00 m   0 2020 2021 2021 0 #N 235, HN 235, HN 235, 
1530 119.207   3.752   8.012 1 U         -1.737e+03  0.00e+00 m   0 2020 2023 2021 0 #N 235, HA 235, HN 235, 
1531 119.207   1.990   8.012 1 U         -1.971e+03  0.00e+00 m   0 2020 2025 2021 0 #N 235, HB2 235, HN 235, 
1532 119.207   2.154   8.012 1 U         -1.792e+03  0.00e+00 m   0 2020 2026 2021 0 #N 235, HB3 235, HN 235, 
1533 119.207   2.353   8.012 1 U         -1.957e+03  0.00e+00 m   0 2020 2031 2021 0 #N 235, QG 235, HN 235, 
1536 120.376   7.665   7.665 1 U         -3.755e+03  0.00e+00 m   0 2038 2039 2039 0 #N 236, HN 236, HN 236, 
1537 120.376   4.234   7.665 1 U         -6.140e+02  0.00e+00 m   0 2038 2041 2039 0 #N 236, HA 236, HN 236, 
1538 120.376   1.389   7.665 1 U         -1.664e+03  0.00e+00 m   0 2038 2043 2039 0 #N 236, HB2 236, HN 236, 
1539 120.376   1.753   7.665 1 U         -1.271e+03  0.00e+00 m   0 2038 2044 2039 0 #N 236, HB3 236, HN 236, 
1540 120.376   0.805   7.665 1 U         -1.699e+03  0.00e+00 m   0 2038 2047 2039 0 #N 236, HG 236, HN 236, 
1541 120.376   1.379   7.665 1 U         -1.664e+03  0.00e+00 m   0 2038 2048 2039 0 #N 236, QD1 236, HN 236, 
1542 120.376   0.894   7.665 1 U         -2.451e+03  0.00e+00 m   0 2038 2049 2039 0 #N 236, QD2 236, HN 236, 
1543 111.872   7.517   7.517 1 U          2.343e+03  0.00e+00 m   0 2060 2061 2061 0 #N 237, HN 237, HN 237, 
1544 111.872   3.694   7.517 1 U         -1.347e+03  0.00e+00 m   0 2060 2063 2061 0 #N 237, HA 237, HN 237, 
1545 111.872   3.332   7.517 1 U         -9.410e+02  0.00e+00 m   0 2060 2065 2061 0 #N 237, HB2 237, HN 237, 
1546 111.872   3.781   7.517 1 U         -1.504e+03  0.00e+00 m   0 2060 2066 2061 0 #N 237, HB3 237, HN 237, 
1547 121.053   7.885   7.885 1 U         -2.320e+04  0.00e+00 m   0 2070 2071 2071 0 #N 238, HN 238, HN 238, 
1548 121.053   3.982   7.885 1 U         -9.470e+02  0.00e+00 m   0 2070 2073 2071 0 #N 238, HA 238, HN 238, 
1549 121.053   1.484   7.885 1 U         -8.690e+02  0.00e+00 m   0 2070 2075 2071 0 #N 238, HB2 238, HN 238, 
1550 121.053   1.848   7.885 1 U         -1.626e+03  0.00e+00 m   0 2070 2076 2071 0 #N 238, HB3 238, HN 238, 
1551 121.053   1.702   7.885 1 U         -1.504e+03  0.00e+00 m   0 2070 2079 2071 0 #N 238, HG 238, HN 238, 
1552 121.053   0.824   7.885 1 U         -3.261e+03  0.00e+00 m   0 2070 2080 2071 0 #N 238, QD1 238, HN 238, 
1553 121.053   0.854   7.885 1 U         -3.596e+03  0.00e+00 m   0 2070 2081 2071 0 #N 238, QD2 238, HN 238, 
1554 121.753   8.752   8.752 1 U         -3.863e+03  0.00e+00 m   0 2092 2093 2093 0 #N 239, HN 239, HN 239, 
1555 121.753   4.341   8.752 1 U         -9.940e+02  0.00e+00 m   0 2092 2095 2093 0 #N 239, HA 239, HN 239, 
1556 121.753   2.386   8.752 1 U         -7.750e+02  0.00e+00 m   0 2092 2097 2093 0 #N 239, HB2 239, HN 239, 
1557 121.753   2.798   8.752 1 U         -4.120e+02  0.00e+00 m   0 2092 2098 2093 0 #N 239, HB3 239, HN 239, 
1558 120.696   8.457   8.457 1 U         -7.964e+03  0.00e+00 m   0 2103 2104 2104 0 #N 240, HN 240, HN 240, 
1559 120.696   3.664   8.457 1 U         -8.910e+02  0.00e+00 m   0 2103 2106 2104 0 #N 240, HA 240, HN 240, 
1560 120.696   2.054   8.457 1 U         -2.383e+03  0.00e+00 m   0 2103 2108 2104 0 #N 240, HB 240, HN 240, 
1561 120.696   0.873   8.457 1 U         -4.465e+03  0.00e+00 m   0 2103 2109 2104 0 #N 240, QG2 240, HN 240, 
1562 120.696   1.101   8.457 1 U         -2.374e+03  0.00e+00 m   0 2103 2115 2104 0 #N 240, HG12 240, HN 240, 
1563 120.696   1.940   8.457 1 U         -2.249e+03  0.00e+00 m   0 2103 2116 2104 0 #N 240, HG13 240, HN 240, 
1564 120.696   0.930   8.457 1 U         -5.118e+03  0.00e+00 m   0 2103 2118 2104 0 #N 240, QD1 240, HN 240, 
1565 115.932   7.641   7.641 1 U         -6.178e+03  0.00e+00 m   0 2124 2125 2125 0 #N 241, HN 241, HN 241, 
1566 115.932   4.415   7.641 1 U         -1.566e+03  0.00e+00 m   0 2124 2127 2125 0 #N 241, HA 241, HN 241, 
1567 115.932   2.895   7.641 1 U         -2.904e+03  0.00e+00 m   0 2124 2129 2125 0 #N 241, HB2 241, HN 241, 
1568 115.932   2.894   7.641 1 U         -2.904e+03  0.00e+00 m   0 2124 2130 2125 0 #N 241, HB3 241, HN 241, 
1571 116.229   7.610   7.610 1 U         -2.070e+04  0.00e+00 m   0 2138 2139 2139 0 #N 242, HN 242, HN 242, 
1572 116.229   4.420   7.610 1 U         -2.671e+03  0.00e+00 m   0 2138 2141 2139 0 #N 242, HA 242, HN 242, 
1573 116.229   2.027   7.610 1 U         -3.533e+03  0.00e+00 m   0 2138 2143 2139 0 #N 242, HB2 242, HN 242, 
1574 116.229   2.023   7.610 1 U         -3.533e+03  0.00e+00 m   0 2138 2144 2139 0 #N 242, HB3 242, HN 242, 
1575 116.229   1.763   7.610 1 U         -1.207e+03  0.00e+00 m   0 2138 2147 2139 0 #N 242, HG2 242, HN 242, 
1576 116.229   1.893   7.610 1 U         -1.832e+03  0.00e+00 m   0 2138 2148 2139 0 #N 242, HG3 242, HN 242, 
1577 116.229   3.235   7.610 1 U         -1.139e+03  0.00e+00 m   0 2138 2151 2139 0 #N 242, HD2 242, HN 242, 
1578 116.229   3.208   7.610 1 U         -1.156e+03  0.00e+00 m   0 2138 2152 2139 0 #N 242, HD3 242, HN 242, 
1579 121.891   7.397   7.397 1 U         -2.630e+03  0.00e+00 m   0 2164 2165 2165 0 #N 243, HN 243, HN 243, 
1580 121.891   4.409   7.397 1 U         -1.570e+03  0.00e+00 m   0 2164 2167 2165 0 #N 243, HA 243, HN 243, 
1581 121.891   1.375   7.397 1 U         -5.200e+02  0.00e+00 m   0 2164 2169 2165 0 #N 243, HB2 243, HN 243, 
1582 121.891   1.996   7.397 1 U         -2.119e+03  0.00e+00 m   0 2164 2170 2165 0 #N 243, HB3 243, HN 243, 
1583 121.891   2.112   7.397 1 U         -1.379e+03  0.00e+00 m   0 2164 2173 2165 0 #N 243, HG 243, HN 243, 
1584 121.891   0.952   7.397 1 U         -2.936e+03  0.00e+00 m   0 2164 2174 2165 0 #N 243, QD1 243, HN 243, 
1585 121.891   0.823   7.397 1 U         -2.164e+03  0.00e+00 m   0 2164 2175 2165 0 #N 243, QD2 243, HN 243, 
1586 111.270   8.977   8.977 1 U         -1.951e+03  0.00e+00 m   0 2202 2203 2203 0 #N 245, HN 245, HN 245, 
1587 111.270   4.205   8.977 1 U         -3.500e+02  0.00e+00 m   0 2202 2205 2203 0 #N 245, HA1 245, HN 245, 
1588 111.270   3.970   8.977 1 U         -4.680e+02  0.00e+00 m   0 2202 2206 2203 0 #N 245, HA2 245, HN 245, 
1589 119.458   9.578   9.578 1 U         -1.090e+03  0.00e+00 m   0 2209 2210 2210 0 #N 246, HN 246, HN 246, 
1590 119.458   4.453   9.578 1 U         -8.870e+02  0.00e+00 m   0 2209 2212 2210 0 #N 246, HA 246, HN 246, 
1591 119.458   2.199   9.578 1 U         -2.093e+03  0.00e+00 m   0 2209 2214 2210 0 #N 246, HB2 246, HN 246, 
1592 119.458   2.197   9.578 1 U         -2.093e+03  0.00e+00 m   0 2209 2215 2210 0 #N 246, HB3 246, HN 246, 
1593 119.458   2.378   9.578 1 U         -1.646e+03  0.00e+00 m   0 2209 2218 2210 0 #N 246, HG2 246, HN 246, 
1594 119.458   2.392   9.578 1 U         -1.460e+03  0.00e+00 m   0 2209 2219 2210 0 #N 246, HG3 246, HN 246, 
1595 116.604   8.070   8.070 1 U         -7.300e+02  0.00e+00 m   0 2224 2225 2225 0 #N 247, HN 247, HN 247, 
1596 116.604   4.662   8.070 1 U         -2.140e+02  0.00e+00 m   0 2224 2227 2225 0 #N 247, HA 247, HN 247, 
1597 116.604   2.042   8.070 1 U         -5.300e+02  0.00e+00 m   0 2224 2229 2225 0 #N 247, HB2 247, HN 247, 
1598 116.604   2.399   8.070 1 U         -3.970e+02  0.00e+00 m   0 2224 2230 2225 0 #N 247, HB3 247, HN 247, 
1599 120.351   7.871   7.871 1 U         -2.458e+04  0.00e+00 m   0 2249 2250 2250 0 #N 248, HN 248, HN 248, 
1600 120.351   4.062   7.871 1 U         -6.870e+02  0.00e+00 m   0 2249 2252 2250 0 #N 248, HA 248, HN 248, 
1601 120.351   1.149   7.871 1 U         -3.300e+02  0.00e+00 m   0 2249 2254 2250 0 #N 248, HB2 248, HN 248, 
1602 120.351   2.147   7.871 1 U         -7.490e+02  0.00e+00 m   0 2249 2255 2250 0 #N 248, HB3 248, HN 248, 
1603 120.351   1.742   7.871 1 U         -6.470e+02  0.00e+00 m   0 2249 2258 2250 0 #N 248, HG 248, HN 248, 
1604 120.351   0.997   7.871 1 U         -1.854e+03  0.00e+00 m   0 2249 2259 2250 0 #N 248, QD1 248, HN 248, 
1605 120.351   0.854   7.871 1 U         -1.548e+03  0.00e+00 m   0 2249 2260 2250 0 #N 248, QD2 248, HN 248, 
1606 107.946   8.229   8.229 1 U         -6.470e+02  0.00e+00 m   0 2271 2272 2272 0 #N 249, HN 249, HN 249, 
1607 107.946   4.050   8.229 1 U         -7.070e+02  0.00e+00 m   0 2271 2274 2272 0 #N 249, HA1 249, HN 249, 
1608 107.946   3.260   8.229 1 U         -3.100e+02  0.00e+00 m   0 2271 2275 2272 0 #N 249, HA2 249, HN 249, 
1609 120.812   7.729   7.729 1 U         -5.423e+03  0.00e+00 m   0 2278 2279 2279 0 #N 250, HN 250, HN 250, 
1610 120.812   4.004   7.729 1 U         -1.265e+03  0.00e+00 m   0 2278 2281 2279 0 #N 250, HA 250, HN 250, 
1611 120.812   1.433   7.729 1 U         -7.270e+02  0.00e+00 m   0 2278 2283 2279 0 #N 250, HB2 250, HN 250, 
1612 120.812   1.686   7.729 1 U         -1.086e+03  0.00e+00 m   0 2278 2284 2279 0 #N 250, HB3 250, HN 250, 
1613 120.812   1.086   7.729 1 U         -6.480e+02  0.00e+00 m   0 2278 2287 2279 0 #N 250, HG2 250, HN 250, 
1614 120.812   1.226   7.729 1 U         -6.440e+02  0.00e+00 m   0 2278 2288 2279 0 #N 250, HG3 250, HN 250, 
1617 119.061   6.962   6.962 1 U          1.036e+03  0.00e+00 m   0 2304 2305 2305 0 #N 251, HN 251, HN 251, 
1618 119.061   3.228   6.962 1 U         -2.260e+02  0.00e+00 m   0 2304 2307 2305 0 #N 251, HA 251, HN 251, 
1619 119.061   2.463   6.962 1 U         -2.270e+02  0.00e+00 m   0 2304 2309 2305 0 #N 251, HB 251, HN 251, 
1620 119.061   1.060   6.962 1 U         -1.050e+03  0.00e+00 m   0 2304 2310 2305 0 #N 251, QG1 251, HN 251, 
1621 119.061   0.729   6.962 1 U         -4.650e+02  0.00e+00 m   0 2304 2311 2305 0 #N 251, QG2 251, HN 251, 
1622 117.482   6.930   6.930 1 U          4.936e+03  0.00e+00 m   0 2322 2323 2323 0 #N 252, HN 252, HN 252, 
1623 117.482   2.924   6.930 1 U         -1.750e+02  0.00e+00 m   0 2322 2325 2323 0 #N 252, HA 252, HN 252, 
1624 117.482   1.673   6.930 1 U         -5.470e+02  0.00e+00 m   0 2322 2327 2323 0 #N 252, HB 252, HN 252, 
1625 117.482   0.528   6.930 1 U         -1.648e+03  0.00e+00 m   0 2322 2328 2323 0 #N 252, QG1 252, HN 252, 
1626 117.482  -0.343   6.930 1 U         -1.608e+03  0.00e+00 m   0 2322 2329 2323 0 #N 252, QG2 252, HN 252, 
1627 117.756   7.618   7.618 1 U         -3.863e+03  0.00e+00 m   0 2340 2341 2341 0 #N 253, HN 253, HN 253, 
1628 117.756   4.242   7.618 1 U         -9.890e+02  0.00e+00 m   0 2340 2343 2341 0 #N 253, HA 253, HN 253, 
1629 117.756   3.046   7.618 1 U         -1.976e+03  0.00e+00 m   0 2340 2345 2341 0 #N 253, HB2 253, HN 253, 
1630 117.756   3.077   7.618 1 U         -2.133e+03  0.00e+00 m   0 2340 2346 2341 0 #N 253, HB3 253, HN 253, 
1631 121.653   8.489   8.489 1 U         -9.080e+02  0.00e+00 m   0 2357 2358 2358 0 #N 254, HN 254, HN 254, 
1632 121.653   3.397   8.489 1 U         -5.260e+02  0.00e+00 m   0 2357 2360 2358 0 #N 254, HA 254, HN 254, 
1633 121.653   1.777   8.489 1 U         -1.129e+03  0.00e+00 m   0 2357 2362 2358 0 #N 254, HB 254, HN 254, 
1634 121.653   0.740   8.489 1 U         -1.255e+03  0.00e+00 m   0 2357 2363 2358 0 #N 254, QG2 254, HN 254, 
1635 121.653   0.965   8.489 1 U         -1.225e+03  0.00e+00 m   0 2357 2369 2358 0 #N 254, HG12 254, HN 254, 
1636 121.653   1.668   8.489 1 U         -8.210e+02  0.00e+00 m   0 2357 2370 2358 0 #N 254, HG13 254, HN 254, 
1637 121.653   0.539   8.489 1 U         -1.654e+03  0.00e+00 m   0 2357 2372 2358 0 #N 254, QD1 254, HN 254, 
1638 117.245   7.596   7.596 1 U         -1.377e+04  0.00e+00 m   0 2378 2379 2379 0 #N 255, HN 255, HN 255, 
1639 117.245   3.424   7.596 1 U         -3.030e+02  0.00e+00 m   0 2378 2381 2379 0 #N 255, HA 255, HN 255, 
1640 117.245   1.736   7.596 1 U         -1.217e+03  0.00e+00 m   0 2378 2383 2379 0 #N 255, HB 255, HN 255, 
1641 117.245   0.760   7.596 1 U         -6.733e+03  0.00e+00 m   0 2378 2384 2379 0 #N 255, QG2 255, HN 255, 
1642 117.245   1.648   7.596 1 U         -1.333e+03  0.00e+00 m   0 2378 2390 2379 0 #N 255, HG12 255, HN 255, 
1643 117.245   1.735   7.596 1 U         -1.217e+03  0.00e+00 m   0 2378 2391 2379 0 #N 255, HG13 255, HN 255, 
1644 117.245   0.616   7.596 1 U         -1.056e+03  0.00e+00 m   0 2378 2393 2379 0 #N 255, QD1 255, HN 255, 
1645 116.201   8.687   8.687 1 U         -1.931e+03  0.00e+00 m   0 2399 2400 2400 0 #N 256, HN 256, HN 256, 
1646 116.201   3.828   8.687 1 U         -1.036e+03  0.00e+00 m   0 2399 2402 2400 0 #N 256, HA 256, HN 256, 
1647 116.201   1.868   8.687 1 U         -9.850e+02  0.00e+00 m   0 2399 2404 2400 0 #N 256, HB2 256, HN 256, 
1648 116.201   2.081   8.687 1 U         -1.156e+03  0.00e+00 m   0 2399 2405 2400 0 #N 256, HB3 256, HN 256, 
1649 116.201   2.120   8.687 1 U         -1.514e+03  0.00e+00 m   0 2399 2408 2400 0 #N 256, HG2 256, HN 256, 
1650 116.201   2.556   8.687 1 U         -3.970e+02  0.00e+00 m   0 2399 2409 2400 0 #N 256, HG3 256, HN 256, 
1652 116.201   7.221   8.687 1 U         -3.470e+02  0.00e+00 m   0 2399 2414 2400 0 #N 256, HE22 256, HN 256, 
1653 111.753   8.023   8.023 1 U         -4.669e+03  0.00e+00 m   0 2417 2418 2418 0 #N 257, HN 257, HN 257, 
1654 111.753   4.126   8.023 1 U         -1.979e+03  0.00e+00 m   0 2417 2420 2418 0 #N 257, HA 257, HN 257, 
1655 111.753   3.666   8.023 1 U         -1.688e+03  0.00e+00 m   0 2417 2422 2418 0 #N 257, HB2 257, HN 257, 
1656 111.753   3.798   8.023 1 U         -1.996e+03  0.00e+00 m   0 2417 2423 2418 0 #N 257, HB3 257, HN 257, 
1657 118.578   7.392   7.392 1 U         -1.369e+03  0.00e+00 m   0 2427 2428 2428 0 #N 258, HN 258, HN 258, 
1658 118.578   4.336   7.392 1 U         -7.370e+02  0.00e+00 m   0 2427 2430 2428 0 #N 258, HA 258, HN 258, 
1659 118.578   1.817   7.392 1 U         -1.353e+03  0.00e+00 m   0 2427 2432 2428 0 #N 258, HB2 258, HN 258, 
1660 118.578   2.015   7.392 1 U         -1.082e+03  0.00e+00 m   0 2427 2433 2428 0 #N 258, HB3 258, HN 258, 
1661 118.578   1.675   7.392 1 U         -1.038e+03  0.00e+00 m   0 2427 2436 2428 0 #N 258, HG2 258, HN 258, 
1662 118.578   1.785   7.392 1 U         -1.355e+03  0.00e+00 m   0 2427 2437 2428 0 #N 258, HG3 258, HN 258, 
1664 118.578   3.087   7.392 1 U         -3.640e+02  0.00e+00 m   0 2427 2441 2428 0 #N 258, HD3 258, HN 258, 
1665 118.370   7.877   7.877 1 U         -1.302e+04  0.00e+00 m   0 2453 2454 2454 0 #N 259, HN 259, HN 259, 
1666 118.370   4.866   7.877 1 U         -1.695e+03  0.00e+00 m   0 2453 2456 2454 0 #N 259, HA 259, HN 259, 
1667 118.370   1.956   7.877 1 U         -1.586e+03  0.00e+00 m   0 2453 2458 2454 0 #N 259, HB2 259, HN 259, 
1668 118.370   2.057   7.877 1 U         -1.345e+03  0.00e+00 m   0 2453 2459 2454 0 #N 259, HB3 259, HN 259, 
1669 113.310   8.408   8.408 1 U         -2.229e+03  0.00e+00 m   0 2484 2485 2485 0 #N 261, HN 261, HN 261, 
1670 113.310   4.367   8.408 1 U         -1.568e+03  0.00e+00 m   0 2484 2487 2485 0 #N 261, HA 261, HN 261, 
1671 113.310   3.911   8.408 1 U         -1.335e+03  0.00e+00 m   0 2484 2489 2485 0 #N 261, HB2 261, HN 261, 
1672 113.310   3.972   8.408 1 U         -2.062e+03  0.00e+00 m   0 2484 2490 2485 0 #N 261, HB3 261, HN 261, 
1673 122.736   8.008   8.008 1 U         -7.362e+03  0.00e+00 m   0 2494 2495 2495 0 #N 262, HN 262, HN 262, 
1674 122.736   4.511   8.008 1 U         -3.442e+03  0.00e+00 m   0 2494 2497 2495 0 #N 262, HA 262, HN 262, 
1675 122.736   1.650   8.008 1 U         -6.259e+03  0.00e+00 m   0 2494 2499 2495 0 #N 262, HB2 262, HN 262, 
1676 122.736   1.651   8.008 1 U         -6.259e+03  0.00e+00 m   0 2494 2500 2495 0 #N 262, HB3 262, HN 262, 
1677 122.736   1.649   8.008 1 U         -6.259e+03  0.00e+00 m   0 2494 2503 2495 0 #N 262, HG 262, HN 262, 
1678 122.736   0.875   8.008 1 U         -5.045e+03  0.00e+00 m   0 2494 2504 2495 0 #N 262, QD1 262, HN 262, 
1679 122.736   0.859   8.008 1 U         -5.045e+03  0.00e+00 m   0 2494 2505 2495 0 #N 262, QD2 262, HN 262, 
1680 121.277   7.831   7.831 1 U         -5.636e+04  0.00e+00 m   0 2516 2517 2517 0 #N 263, HN 263, HN 263, 
1681 121.277   4.194   7.831 1 U         -3.450e+03  0.00e+00 m   0 2516 2519 2517 0 #N 263, HA 263, HN 263, 
1682 121.277   1.868   7.831 1 U         -6.082e+03  0.00e+00 m   0 2516 2521 2517 0 #N 263, HB2 263, HN 263, 
1683 121.277   1.878   7.831 1 U         -6.082e+03  0.00e+00 m   0 2516 2522 2517 0 #N 263, HB3 263, HN 263, 
1684 121.277   1.658   7.831 1 U         -4.997e+03  0.00e+00 m   0 2516 2525 2517 0 #N 263, HG2 263, HN 263, 
1685 121.277   1.660   7.831 1 U         -4.997e+03  0.00e+00 m   0 2516 2526 2517 0 #N 263, HG3 263, HN 263, 
1686 121.277   3.179   7.831 1 U         -9.980e+02  0.00e+00 m   0 2516 2529 2517 0 #N 263, HD2 263, HN 263, 
1687 121.277   3.179   7.831 1 U         -9.980e+02  0.00e+00 m   0 2516 2530 2517 0 #N 263, HD3 263, HN 263, 
1688 120.010   8.256   8.256 1 U         -9.873e+03  0.00e+00 m   0 2542 2543 2543 0 #N 264, HN 264, HN 264, 
1689 120.010   4.686   8.256 1 U         -3.060e+03  0.00e+00 m   0 2542 2545 2543 0 #N 264, HA 264, HN 264, 
1690 120.010   2.677   8.256 1 U         -3.269e+03  0.00e+00 m   0 2542 2547 2543 0 #N 264, HB2 264, HN 264, 
1691 120.010   2.784   8.256 1 U         -3.165e+03  0.00e+00 m   0 2542 2548 2543 0 #N 264, HB3 264, HN 264, 
1692 114.969   7.832   7.832 1 U         -1.232e+04  0.00e+00 m   0 2553 2554 2554 0 #N 265, HN 265, HN 265, 
1693 114.969   4.399   7.832 1 U         -1.959e+03  0.00e+00 m   0 2553 2556 2554 0 #N 265, HA 265, HN 265, 
1694 114.969   3.930   7.832 1 U         -3.221e+03  0.00e+00 m   0 2553 2558 2554 0 #N 265, HB2 265, HN 265, 
1695 114.969   3.940   7.832 1 U         -3.221e+03  0.00e+00 m   0 2553 2559 2554 0 #N 265, HB3 265, HN 265, 
1696 122.291   8.562   8.562 1 U         -1.991e+03  0.00e+00 m   0 2563 2564 2564 0 #N 266, HN 266, HN 266, 
1697 122.291   4.945   8.562 1 U         -1.417e+03  0.00e+00 m   0 2563 2566 2564 0 #N 266, HA 266, HN 266, 
1698 122.291   2.829   8.562 1 U         -2.005e+03  0.00e+00 m   0 2563 2568 2564 0 #N 266, HB2 266, HN 266, 
1699 122.291   3.215   8.562 1 U         -1.628e+03  0.00e+00 m   0 2563 2569 2564 0 #N 266, HB3 266, HN 266, 
1702 115.403   8.202   8.202 1 U         -9.089e+03  0.00e+00 m   0 2593 2594 2594 0 #N 268, HN 268, HN 268, 
1703 115.403   4.716   8.202 1 U         -1.739e+03  0.00e+00 m   0 2593 2596 2594 0 #N 268, HA 268, HN 268, 
1704 115.403   2.539   8.202 1 U         -1.920e+03  0.00e+00 m   0 2593 2598 2594 0 #N 268, HB2 268, HN 268, 
1705 115.403   2.881   8.202 1 U         -1.484e+03  0.00e+00 m   0 2593 2599 2594 0 #N 268, HB3 268, HN 268, 
1706 118.796   7.483   7.483 1 U         -1.629e+04  0.00e+00 m   0 2604 2605 2605 0 #N 269, HN 269, HN 269, 
1707 118.796   5.421   7.483 1 U         -1.546e+03  0.00e+00 m   0 2604 2607 2605 0 #N 269, HA 269, HN 269, 
1708 118.796   1.979   7.483 1 U         -5.720e+03  0.00e+00 m   0 2604 2609 2605 0 #N 269, HB2 269, HN 269, 
1709 118.796   1.978   7.483 1 U         -5.720e+03  0.00e+00 m   0 2604 2610 2605 0 #N 269, HB3 269, HN 269, 
1710 118.796   2.169   7.483 1 U         -1.427e+03  0.00e+00 m   0 2604 2613 2605 0 #N 269, HG2 269, HN 269, 
1711 118.796   2.104   7.483 1 U         -2.437e+03  0.00e+00 m   0 2604 2614 2605 0 #N 269, HG3 269, HN 269, 
1712 122.694   9.087   9.087 1 U         -4.135e+03  0.00e+00 m   0 2619 2620 2620 0 #N 270, HN 270, HN 270, 
1713 122.694   4.576   9.087 1 U         -6.200e+02  0.00e+00 m   0 2619 2622 2620 0 #N 270, HA 270, HN 270, 
1714 122.694   1.730   9.087 1 U         -1.439e+03  0.00e+00 m   0 2619 2624 2620 0 #N 270, HB 270, HN 270, 
1715 122.694   0.738   9.087 1 U         -2.383e+03  0.00e+00 m   0 2619 2625 2620 0 #N 270, QG2 270, HN 270, 
1716 122.694   0.989   9.087 1 U         -6.050e+02  0.00e+00 m   0 2619 2631 2620 0 #N 270, HG12 270, HN 270, 
1717 122.694   1.489   9.087 1 U         -1.136e+03  0.00e+00 m   0 2619 2632 2620 0 #N 270, HG13 270, HN 270, 
1718 122.694   0.689   9.087 1 U         -1.305e+03  0.00e+00 m   0 2619 2634 2620 0 #N 270, QD1 270, HN 270, 
1719 127.318   8.636   8.636 1 U         -6.347e+03  0.00e+00 m   0 2640 2641 2641 0 #N 271, HN 271, HN 271, 
1720 127.318   4.810   8.636 1 U         -1.353e+03  0.00e+00 m   0 2640 2643 2641 0 #N 271, HA 271, HN 271, 
1721 127.318   1.868   8.636 1 U         -2.116e+03  0.00e+00 m   0 2640 2645 2641 0 #N 271, HB2 271, HN 271, 
1722 127.318   1.990   8.636 1 U         -2.803e+03  0.00e+00 m   0 2640 2646 2641 0 #N 271, HB3 271, HN 271, 
1723 127.318   1.941   8.636 1 U         -2.235e+03  0.00e+00 m   0 2640 2649 2641 0 #N 271, HG2 271, HN 271, 
1724 127.318   2.133   8.636 1 U         -1.464e+03  0.00e+00 m   0 2640 2650 2641 0 #N 271, HG3 271, HN 271, 
1725 125.235   8.975   8.975 1 U         -8.521e+03  0.00e+00 m   0 2655 2656 2656 0 #N 272, HN 272, HN 272, 
1726 125.235   3.910   8.975 1 U         -3.110e+02  0.00e+00 m   0 2655 2658 2656 0 #N 272, HA 272, HN 272, 
1727 125.235   1.446   8.975 1 U         -1.792e+03  0.00e+00 m   0 2655 2660 2656 0 #N 272, HB 272, HN 272, 
1728 125.235   0.034   8.975 1 U         -2.170e+02  0.00e+00 m   0 2655 2661 2656 0 #N 272, QG2 272, HN 272, 
1729 125.235   0.649   8.975 1 U         -4.920e+02  0.00e+00 m   0 2655 2667 2656 0 #N 272, HG12 272, HN 272, 
1730 125.235   1.306   8.975 1 U         -8.140e+02  0.00e+00 m   0 2655 2668 2656 0 #N 272, HG13 272, HN 272, 
1731 125.235   0.502   8.975 1 U         -1.910e+02  0.00e+00 m   0 2655 2670 2656 0 #N 272, QD1 272, HN 272, 
1732 126.062   8.520   8.520 1 U         -4.425e+03  0.00e+00 m   0 2676 2677 2677 0 #N 273, HN 273, HN 273, 
1733 126.062   5.218   8.520 1 U         -8.000e+02  0.00e+00 m   0 2676 2679 2677 0 #N 273, HA 273, HN 273, 
1734 126.062   2.290   8.520 1 U         -1.198e+03  0.00e+00 m   0 2676 2681 2677 0 #N 273, HB2 273, HN 273, 
1735 126.062   3.031   8.520 1 U         -1.014e+03  0.00e+00 m   0 2676 2682 2677 0 #N 273, HB3 273, HN 273, 
1736 122.645   9.311   9.311 1 U         -1.660e+03  0.00e+00 m   0 2687 2688 2688 0 #N 274, HN 274, HN 274, 
1737 122.645   3.988   9.311 1 U         -5.910e+02  0.00e+00 m   0 2687 2690 2688 0 #N 274, HA 274, HN 274, 
1738 122.645   3.055   9.311 1 U         -1.093e+03  0.00e+00 m   0 2687 2692 2688 0 #N 274, HB2 274, HN 274, 
1739 122.645   3.052   9.311 1 U         -1.093e+03  0.00e+00 m   0 2687 2693 2688 0 #N 274, HB3 274, HN 274, 
1740 122.645   7.187   9.311 1 U         -6.170e+02  0.00e+00 m   0 2687 2695 2688 0 #N 274, QD 274, HN 274, 
1743 114.946   8.702   8.702 1 U         -3.891e+03  0.00e+00 m   0 2710 2711 2711 0 #N 275, HN 275, HN 275, 
1744 114.946   4.346   8.702 1 U         -2.033e+03  0.00e+00 m   0 2710 2713 2711 0 #N 275, HA 275, HN 275, 
1745 114.946   2.185   8.702 1 U         -3.474e+03  0.00e+00 m   0 2710 2715 2711 0 #N 275, HB2 275, HN 275, 
1746 114.946   2.241   8.702 1 U         -5.881e+03  0.00e+00 m   0 2710 2716 2711 0 #N 275, HB3 275, HN 275, 
1747 114.946   2.250   8.702 1 U         -5.881e+03  0.00e+00 m   0 2710 2719 2711 0 #N 275, HG2 275, HN 275, 
1748 114.946   2.401   8.702 1 U         -2.334e+03  0.00e+00 m   0 2710 2720 2711 0 #N 275, HG3 275, HN 275, 
1749 106.475   7.556   7.556 1 U         -4.845e+03  0.00e+00 m   0 2725 2726 2726 0 #N 276, HN 276, HN 276, 
1750 106.475   4.520   7.556 1 U         -1.648e+03  0.00e+00 m   0 2725 2728 2726 0 #N 276, HA 276, HN 276, 
1751 106.475   4.445   7.556 1 U         -1.225e+03  0.00e+00 m   0 2725 2730 2726 0 #N 276, HB 276, HN 276, 
1752 106.475   1.081   7.556 1 U         -3.076e+03  0.00e+00 m   0 2725 2731 2726 0 #N 276, QG2 276, HN 276, 
1753 121.940   6.711   6.711 1 U         -4.931e+03  0.00e+00 m   0 2738 2739 2739 0 #N 277, HN 277, HN 277, 
1754 121.940   4.316   6.711 1 U         -5.540e+02  0.00e+00 m   0 2738 2741 2739 0 #N 277, HA 277, HN 277, 
1755 121.940   1.340   6.711 1 U         -8.020e+02  0.00e+00 m   0 2738 2743 2739 0 #N 277, HB2 277, HN 277, 
1756 121.940   1.574   6.711 1 U         -1.217e+03  0.00e+00 m   0 2738 2744 2739 0 #N 277, HB3 277, HN 277, 
1757 121.940   1.835   6.711 1 U         -2.036e+03  0.00e+00 m   0 2738 2747 2739 0 #N 277, HG 277, HN 277, 
1758 121.940   0.576   6.711 1 U         -2.510e+03  0.00e+00 m   0 2738 2748 2739 0 #N 277, QD1 277, HN 277, 
1759 121.940   0.726   6.711 1 U         -2.494e+03  0.00e+00 m   0 2738 2749 2739 0 #N 277, QD2 277, HN 277, 
1760 123.454  10.010  10.010 1 U         -9.040e+02  0.00e+00 m   0 2760 2761 2761 0 #N 278, HN 278, HN 278, 
1761 123.454   4.443  10.010 1 U         -3.010e+02  0.00e+00 m   0 2760 2763 2761 0 #N 278, HA 278, HN 278, 
1762 123.454   1.868  10.010 1 U         -3.950e+02  0.00e+00 m   0 2760 2765 2761 0 #N 278, HB2 278, HN 278, 
1763 123.454   2.035  10.010 1 U         -8.900e+02  0.00e+00 m   0 2760 2766 2761 0 #N 278, HB3 278, HN 278, 
1764 123.454   2.027  10.010 1 U         -6.900e+02  0.00e+00 m   0 2760 2769 2761 0 #N 278, HG2 278, HN 278, 
1765 123.454   1.682  10.010 1 U         -1.033e+03  0.00e+00 m   0 2760 2770 2761 0 #N 278, HG3 278, HN 278, 
1767 123.454   3.062  10.010 1 U         -4.490e+02  0.00e+00 m   0 2760 2778 2761 0 #N 278, HE3 278, HN 278, 
1768 106.245   7.885   7.885 1 U         -2.500e+02  0.00e+00 m   0 2801 2802 2802 0 #N 280, HN 280, HN 280, 
1769 106.245   4.008   7.885 1 U         -8.670e+02  0.00e+00 m   0 2801 2804 2802 0 #N 280, HA 280, HN 280, 
1770 106.245   4.223   7.885 1 U         -7.590e+02  0.00e+00 m   0 2801 2806 2802 0 #N 280, HB 280, HN 280, 
1771 106.245   1.305   7.885 1 U         -1.361e+03  0.00e+00 m   0 2801 2807 2802 0 #N 280, QG2 280, HN 280, 
1772 121.181   7.284   7.284 1 U         -1.636e+03  0.00e+00 m   0 2814 2815 2815 0 #N 281, HN 281, HN 281, 
1773 121.181   3.745   7.284 1 U         -6.480e+02  0.00e+00 m   0 2814 2817 2815 0 #N 281, HA 281, HN 281, 
1774 121.181   4.467   7.284 1 U         -9.720e+02  0.00e+00 m   0 2814 2819 2815 0 #N 281, HB 281, HN 281, 
1775 121.181   1.158   7.284 1 U         -8.730e+02  0.00e+00 m   0 2814 2820 2815 0 #N 281, QG2 281, HN 281, 
1776 120.608   8.009   8.009 1 U         -6.877e+03  0.00e+00 m   0 2827 2828 2828 0 #N 282, HN 282, HN 282, 
1777 120.608   3.788   8.009 1 U         -2.580e+02  0.00e+00 m   0 2827 2830 2828 0 #N 282, HA 282, HN 282, 
1778 120.608   2.016   8.009 1 U         -1.538e+03  0.00e+00 m   0 2827 2832 2828 0 #N 282, HB2 282, HN 282, 
1779 120.608   1.723   8.009 1 U         -6.290e+02  0.00e+00 m   0 2827 2833 2828 0 #N 282, HB3 282, HN 282, 
1780 120.608   0.983   8.009 1 U         -2.275e+03  0.00e+00 m   0 2827 2837 2828 0 #N 282, QD1 282, HN 282, 
1781 120.608   0.848   8.009 1 U         -3.840e+02  0.00e+00 m   0 2827 2838 2828 0 #N 282, QD2 282, HN 282, 
1782 115.742   8.186   8.186 1 U         -1.269e+04  0.00e+00 m   0 2849 2850 2850 0 #N 283, HN 283, HN 283, 
1783 115.742   4.196   8.186 1 U         -1.632e+03  0.00e+00 m   0 2849 2852 2850 0 #N 283, HA 283, HN 283, 
1784 115.742   1.956   8.186 1 U         -3.024e+03  0.00e+00 m   0 2849 2854 2850 0 #N 283, HB2 283, HN 283, 
1785 115.742   2.122   8.186 1 U         -1.786e+03  0.00e+00 m   0 2849 2855 2850 0 #N 283, HB3 283, HN 283, 
1786 122.955   7.987   7.987 1 U         -1.019e+04  0.00e+00 m   0 2875 2876 2876 0 #N 284, HN 284, HN 284, 
1787 122.955   4.211   7.987 1 U         -1.554e+03  0.00e+00 m   0 2875 2878 2876 0 #N 284, HA 284, HN 284, 
1788 122.955   1.993   7.987 1 U         -1.820e+03  0.00e+00 m   0 2875 2880 2876 0 #N 284, HB2 284, HN 284, 
1789 122.955   2.102   7.987 1 U         -1.413e+03  0.00e+00 m   0 2875 2881 2876 0 #N 284, HB3 284, HN 284, 
1790 122.955   2.271   7.987 1 U         -1.129e+03  0.00e+00 m   0 2875 2885 2876 0 #N 284, HG3 284, HN 284, 
1791 120.157   8.501   8.501 1 U         -1.126e+04  0.00e+00 m   0 2890 2891 2891 0 #N 285, HN 285, HN 285, 
1793 120.157   1.370   8.501 1 U         -1.090e+02  0.00e+00 m   0 2890 2895 2891 0 #N 285, HB2 285, HN 285, 
1794 120.157   2.244   8.501 1 U         -5.160e+02  0.00e+00 m   0 2890 2896 2891 0 #N 285, HB3 285, HN 285, 
1795 120.157   0.888   8.501 1 U         -2.349e+03  0.00e+00 m   0 2890 2900 2891 0 #N 285, QD1 285, HN 285, 
1796 120.411   8.623   8.623 1 U         -2.212e+03  0.00e+00 m   0 2912 2913 2913 0 #N 286, HN 286, HN 286, 
1797 120.411   3.775   8.623 1 U         -6.320e+02  0.00e+00 m   0 2912 2915 2913 0 #N 286, HA 286, HN 286, 
1798 120.411   1.917   8.623 1 U         -1.163e+03  0.00e+00 m   0 2912 2917 2913 0 #N 286, HB2 286, HN 286, 
1799 120.411   2.009   8.623 1 U         -8.010e+02  0.00e+00 m   0 2912 2918 2913 0 #N 286, HB3 286, HN 286, 
1800 120.411   2.247   8.623 1 U         -1.163e+03  0.00e+00 m   0 2912 2923 2913 0 #N 286, QG 286, HN 286, 
1801 118.748   8.052   8.052 1 U         -3.704e+03  0.00e+00 m   0 2927 2928 2928 0 #N 287, HN 287, HN 287, 
1802 118.748   3.994   8.052 1 U         -1.181e+03  0.00e+00 m   0 2927 2930 2928 0 #N 287, HA 287, HN 287, 
1803 118.748   1.917   8.052 1 U         -2.992e+03  0.00e+00 m   0 2927 2932 2928 0 #N 287, HB2 287, HN 287, 
1804 118.748   1.991   8.052 1 U         -1.999e+03  0.00e+00 m   0 2927 2933 2928 0 #N 287, HB3 287, HN 287, 
1805 118.748   1.609   8.052 1 U         -9.470e+02  0.00e+00 m   0 2927 2936 2928 0 #N 287, HG2 287, HN 287, 
1806 118.748   1.923   8.052 1 U         -2.980e+03  0.00e+00 m   0 2927 2937 2928 0 #N 287, HG3 287, HN 287, 
1809 120.714   8.079   8.079 1 U         -3.522e+03  0.00e+00 m   0 2953 2954 2954 0 #N 288, HN 288, HN 288, 
1810 120.714   4.356   8.079 1 U         -5.530e+02  0.00e+00 m   0 2953 2956 2954 0 #N 288, HA 288, HN 288, 
1811 120.714   2.880   8.079 1 U         -1.200e+01  0.00e+00 m   0 2953 2958 2954 0 #N 288, HB2 288, HN 288, 
1812 120.714   3.321   8.079 1 U         -1.290e+02  0.00e+00 m   0 2953 2959 2954 0 #N 288, HB3 288, HN 288, 
1813 120.714   6.909   8.079 1 U         -3.070e+02  0.00e+00 m   0 2953 2961 2954 0 #N 288, QD 288, HN 288, 
1815 121.752   9.145   9.145 1 U         -1.445e+03  0.00e+00 m   0 2976 2977 2977 0 #N 289, HN 289, HN 289, 
1817 121.752   2.086   9.145 1 U         -9.140e+02  0.00e+00 m   0 2976 2981 2977 0 #N 289, HB 289, HN 289, 
1818 121.752   1.074   9.145 1 U         -1.373e+03  0.00e+00 m   0 2976 2982 2977 0 #N 289, QG1 289, HN 289, 
1819 121.752   0.909   9.145 1 U         -1.291e+03  0.00e+00 m   0 2976 2983 2977 0 #N 289, QG2 289, HN 289, 
1820 118.888   8.202   8.202 1 U         -2.847e+03  0.00e+00 m   0 2994 2995 2995 0 #N 290, HN 290, HN 290, 
1821 118.888   3.871   8.202 1 U         -6.740e+02  0.00e+00 m   0 2994 2997 2995 0 #N 290, HA 290, HN 290, 
1822 118.888   1.794   8.202 1 U         -9.910e+02  0.00e+00 m   0 2994 2999 2995 0 #N 290, HB2 290, HN 290, 
1823 118.888   1.899   8.202 1 U         -1.508e+03  0.00e+00 m   0 2994 3000 2995 0 #N 290, HB3 290, HN 290, 
1824 118.888   1.360   8.202 1 U         -3.721e+03  0.00e+00 m   0 2994 3003 2995 0 #N 290, HG2 290, HN 290, 
1825 118.888   1.554   8.202 1 U         -9.340e+02  0.00e+00 m   0 2994 3004 2995 0 #N 290, HG3 290, HN 290, 
1826 118.888   1.613   8.202 1 U         -1.178e+03  0.00e+00 m   0 2994 3009 2995 0 #N 290, QD 290, HN 290, 
1827 118.888   2.928   8.202 1 U         -9.970e+02  0.00e+00 m   0 2994 3013 2995 0 #N 290, QE 290, HN 290, 
1828 114.092   7.594   7.594 1 U         -6.435e+03  0.00e+00 m   0 3019 3020 3020 0 #N 291, HN 291, HN 291, 
1829 114.092   4.283   7.594 1 U         -3.510e+03  0.00e+00 m   0 3019 3022 3020 0 #N 291, HA 291, HN 291, 
1830 114.092   4.026   7.594 1 U         -5.953e+03  0.00e+00 m   0 3019 3024 3020 0 #N 291, HB2 291, HN 291, 
1831 114.092   4.023   7.594 1 U         -5.953e+03  0.00e+00 m   0 3019 3025 3020 0 #N 291, HB3 291, HN 291, 
1832 118.684   7.496   7.496 1 U         -1.242e+04  0.00e+00 m   0 3029 3030 3030 0 #N 292, HN 292, HN 292, 
1833 118.684   4.216   7.496 1 U         -6.150e+02  0.00e+00 m   0 3029 3032 3030 0 #N 292, HA 292, HN 292, 
1834 118.684   2.437   7.496 1 U         -1.570e+02  0.00e+00 m   0 3029 3034 3030 0 #N 292, HB2 292, HN 292, 
1835 118.684   2.878   7.496 1 U         -1.271e+03  0.00e+00 m   0 3029 3035 3030 0 #N 292, HB3 292, HN 292, 
1836 119.063   7.618   7.618 1 U         -3.982e+03  0.00e+00 m   0 3039 3040 3040 0 #N 293, HN 293, HN 293, 
1837 119.063   4.323   7.618 1 U         -1.281e+03  0.00e+00 m   0 3039 3042 3040 0 #N 293, HA 293, HN 293, 
1838 119.063   1.633   7.618 1 U         -1.869e+03  0.00e+00 m   0 3039 3044 3040 0 #N 293, HB2 293, HN 293, 
1839 119.063   1.497   7.618 1 U         -9.060e+02  0.00e+00 m   0 3039 3045 3040 0 #N 293, HB3 293, HN 293, 
1840 119.063   1.649   7.618 1 U         -1.576e+03  0.00e+00 m   0 3039 3048 3040 0 #N 293, HG 293, HN 293, 
1841 119.063   0.746   7.618 1 U         -2.807e+03  0.00e+00 m   0 3039 3049 3040 0 #N 293, QD1 293, HN 293, 
1842 119.063   0.735   7.618 1 U         -2.807e+03  0.00e+00 m   0 3039 3050 3040 0 #N 293, QD2 293, HN 293, 
1843 119.211   7.781   7.781 1 U         -3.763e+04  0.00e+00 m   0 3061 3062 3062 0 #N 294, HN 294, HN 294, 
1844 119.211   4.240   7.781 1 U         -1.220e+04  0.00e+00 m   0 3061 3064 3062 0 #N 294, HA 294, HN 294, 
1845 119.211   2.070   7.781 1 U         -1.366e+04  0.00e+00 m   0 3061 3066 3062 0 #N 294, HB2 294, HN 294, 
1846 119.211   2.070   7.781 1 U         -1.366e+04  0.00e+00 m   0 3061 3067 3062 0 #N 294, HB3 294, HN 294, 
1847 119.211   2.365   7.781 1 U         -7.373e+03  0.00e+00 m   0 3061 3070 3062 0 #N 294, HG2 294, HN 294, 
1848 119.211   2.365   7.781 1 U         -7.373e+03  0.00e+00 m   0 3061 3071 3062 0 #N 294, HG3 294, HN 294, 
1851 122.965   8.191   8.191 1 U         -1.454e+04  0.00e+00 m   0 3079 3080 3080 0 #N 295, HN 295, HN 295, 
1852 122.965   4.296   8.191 1 U         -5.969e+03  0.00e+00 m   0 3079 3082 3080 0 #N 295, HA 295, HN 295, 
1853 122.965   1.745   8.191 1 U         -3.329e+03  0.00e+00 m   0 3079 3084 3080 0 #N 295, HB2 295, HN 295, 
1854 122.965   1.835   8.191 1 U         -1.846e+03  0.00e+00 m   0 3079 3085 3080 0 #N 295, HB3 295, HN 295, 
1855 122.965   1.418   8.191 1 U         -1.823e+03  0.00e+00 m   0 3079 3090 3080 0 #N 295, QG 295, HN 295, 
1856 122.965   1.672   8.191 1 U         -2.960e+02  0.00e+00 m   0 3079 3094 3080 0 #N 295, QD 295, HN 295, 
1858 128.457   8.015   8.015 1 U         -4.559e+05  0.00e+00 m   0 3104 3105 3105 0 #N 296, HN 296, HN 296, 
1859 128.457   4.147   8.015 1 U         -1.959e+04  0.00e+00 m   0 3104 3107 3105 0 #N 296, HA 296, HN 296, 
1860 128.457   1.703   8.015 1 U         -2.095e+04  0.00e+00 m   0 3104 3109 3105 0 #N 296, HB2 296, HN 296, 
1861 128.457   1.815   8.015 1 U         -1.470e+04  0.00e+00 m   0 3104 3110 3105 0 #N 296, HB3 296, HN 296, 
1862 128.457   1.409   8.015 1 U         -1.486e+04  0.00e+00 m   0 3104 3113 3105 0 #N 296, HG2 296, HN 296, 
1863 128.457   1.409   8.015 1 U         -1.486e+04  0.00e+00 m   0 3104 3114 3105 0 #N 296, HG3 296, HN 296, 
1864 128.457   1.668   8.015 1 U         -1.203e+04  0.00e+00 m   0 3104 3119 3105 0 #N 296, QD 296, HN 296, 
1865 128.457   2.980   8.015 1 U         -1.429e+03  0.00e+00 m   0 3104 3123 3105 0 #N 296, QE 296, HN 296, 
1867 116.112  10.146   8.509 1 U         -1.021e+03  0.00e+00 m   0  103  114  104 0 #N 7, HN 8, HN 7, 
1868 125.205   8.950  10.146 1 U         -1.112e+03  0.00e+00 m   0  113  131  114 0 #N 8, HN 9, HN 8, 
1869 122.243   8.398   8.950 1 U         -1.070e+03  0.00e+00 m   0  130  149  131 0 #N 9, HN 10, HN 9, 
1870 120.888   9.045   8.398 1 U         -1.705e+03  0.00e+00 m   0  148  167  149 0 #N 10, HN 11, HN 10, 
1871 116.769   8.245   9.045 1 U         -3.494e+03  0.00e+00 m   0  166  174  167 0 #N 11, HN 12, HN 11, 
1872 122.309   8.585   8.245 1 U         -2.642e+03  0.00e+00 m   0  173  185  174 0 #N 12, HN 13, HN 12, 
1873 114.760   9.285   8.585 1 U         -1.528e+03  0.00e+00 m   0  184  198  185 0 #N 13, HN 14, HN 13, 
1875 121.563   9.618   9.233 1 U         -8.490e+02  0.00e+00 m   0  215  240  216 0 #N 15, HN 16, HN 15, 
1876 118.448   8.830   9.618 1 U         -5.140e+02  0.00e+00 m   0  239  258  240 0 #N 16, HN 17, HN 16, 
1877 129.147   8.402   8.830 1 U         -8.360e+02  0.00e+00 m   0  257  284  258 0 #N 17, HN 18, HN 17, 
1878 120.020   8.198   8.033 1 U         -1.524e+03  0.00e+00 m   0  396  419  397 0 #N 24, HN 25, HN 24, 
1879 123.334   8.113   9.789 1 U         -6.190e+02  0.00e+00 m   0  499  525  500 0 #N 29, HN 30, HN 29, 
1880 119.358   9.199   9.160 1 U         -7.248e+03  0.00e+00 m   0  531  555  532 0 #N 32, HN 33, HN 32, 
1881 118.079   9.033   9.199 1 U         -1.666e+03  0.00e+00 m   0  554  568  555 0 #N 33, HN 34, HN 33, 
1882 126.110   9.618   9.033 1 U         -5.450e+02  0.00e+00 m   0  567  586  568 0 #N 34, HN 35, HN 34, 
1883 130.353   7.601   9.618 1 U         -4.215e+03  0.00e+00 m   0  585  608  586 0 #N 35, HN 36, HN 35, 
1884 116.951   8.733   7.601 1 U         -1.666e+03  0.00e+00 m   0  607  630  608 0 #N 36, HN 37, HN 36, 
1885 110.485   9.020   8.733 1 U         -1.660e+03  0.00e+00 m   0  629  643  630 0 #N 37, HN 38, HN 37, 
1886 130.693   7.986   7.512 1 U         -5.230e+03  0.00e+00 m   0  671  685  672 0 #N 40, HN 41, HN 40, 
1887 126.151   9.373   7.986 1 U         -1.962e+03  0.00e+00 m   0  684  695  685 0 #N 41, HN 42, HN 41, 
1888 116.828   8.478   9.373 1 U         -8.460e+02  0.00e+00 m   0  694  717  695 0 #N 42, HN 43, HN 42, 
1889 120.408   9.829   8.478 1 U         -4.330e+02  0.00e+00 m   0  716  742  717 0 #N 43, HN 44, HN 43, 
1890 118.625   8.548   9.829 1 U         -8.320e+02  0.00e+00 m   0  741  760  742 0 #N 44, HN 45, HN 44, 
1891 120.987   8.291   8.548 1 U         -8.010e+02  0.00e+00 m   0  759  771  760 0 #N 45, HN 46, HN 45, 
1892 112.027   7.016   8.291 1 U         -5.600e+03  0.00e+00 m   0  770  778  771 0 #N 46, HN 47, HN 46, 
1893 120.136   8.253   7.312 1 U         -4.016e+03  0.00e+00 m   0  808  819  809 0 #N 49, HN 50, HN 49, 
1894 118.893   9.595   8.253 1 U         -1.917e+03  0.00e+00 m   0  818  843  819 0 #N 50, HN 51, HN 50, 
1895 124.675   9.031   9.595 1 U         -8.130e+02  0.00e+00 m   0  842  864  843 0 #N 51, HN 52, HN 51, 
1896 127.524   7.973   9.031 1 U         -1.594e+03  0.00e+00 m   0  863  881  864 0 #N 52, HN 53, HN 52, 
1897 126.220   9.546   7.973 1 U         -1.832e+03  0.00e+00 m   0  880  891  881 0 #N 53, HN 54, HN 53, 
1898 119.934   8.347   9.546 1 U         -2.723e+03  0.00e+00 m   0  890  901  891 0 #N 54, HN 55, HN 54, 
1899 116.990   7.591   8.347 1 U         -1.154e+04  0.00e+00 m   0  900  918  901 0 #N 55, HN 56, HN 55, 
1900 115.885   8.981   7.591 1 U         -1.301e+03  0.00e+00 m   0  917  936  918 0 #N 56, HN 57, HN 56, 
1901 123.532   8.959   8.981 1 U         -5.383e+03  0.00e+00 m   0  935  961  936 0 #N 57, HN 58, HN 57, 
1902 124.964   7.931   8.959 1 U         -1.289e+03  0.00e+00 m   0  960  971  961 0 #N 58, HN 59, HN 58, 
1903 108.630   8.142   8.526 1 U         -7.510e+02  0.00e+00 m   0 1007 1015 1008 0 #N 62, HN 63, HN 62, 
1904 108.700   8.230   8.142 1 U         -3.510e+02  0.00e+00 m   0 1014 1022 1015 0 #N 63, HN 64, HN 63, 
1905 116.093   8.220   8.403 1 U         -2.200e+01  0.00e+00 m   0 1044 1055 1045 0 #N 66, HN 67, HN 66, 
1906 116.979   8.089   8.220 1 U         -5.000e+00  0.00e+00 m   0 1054 1065 1055 0 #N 67, HN 68, HN 67, 
1907 120.079   7.992   8.089 1 U         -5.010e+02  0.00e+00 m   0 1064 1091 1065 0 #N 68, HN 69, HN 68, 
1908 121.919   8.200   7.992 1 U         -2.795e+03  0.00e+00 m   0 1090 1113 1091 0 #N 69, HN 70, HN 69, 
1909 115.904   8.105   8.200 1 U         -2.116e+03  0.00e+00 m   0 1112 1126 1113 0 #N 70, HN 71, HN 70, 
1912 122.126   9.321   8.829 1 U         -5.900e+02  0.00e+00 m   0 1175 1194 1176 0 #N 73, HN 74, HN 73, 
1914 125.323   8.643   8.904 1 U         -5.560e+02  0.00e+00 m   0 1211 1238 1212 0 #N 75, HN 76, HN 75, 
1916 115.336   7.705   8.128 1 U         -3.726e+03  0.00e+00 m   0 1295 1318 1296 0 #N 80, HN 81, HN 80, 
1917 119.997   8.628   7.705 1 U         -1.363e+03  0.00e+00 m   0 1317 1343 1318 0 #N 81, HN 82, HN 81, 
1918 118.802   8.741   8.628 1 U         -1.140e+03  0.00e+00 m   0 1342 1364 1343 0 #N 82, HN 83, HN 82, 
1919 122.168   9.109   8.741 1 U         -3.540e+02  0.00e+00 m   0 1363 1390 1364 0 #N 83, HN 84, HN 83, 
1920 125.993   9.128   9.109 1 U         -2.847e+03  0.00e+00 m   0 1389 1412 1390 0 #N 84, HN 85, HN 84, 
1922 125.379   8.285   8.319 1 U         -1.658e+03  0.00e+00 m   0 1424 1451 1425 0 #N 86, HN 87, HN 86, 
1923 123.730   8.440   8.285 1 U         -2.811e+03  0.00e+00 m   0 1450 1466 1451 0 #N 87, HN 88, HN 87, 
1925 121.114   8.454   8.217 1 U         -1.143e+03  0.00e+00 m   0 1645 1671 1646 0 #N 211, HN 212, HN 211, 
1926 121.704   8.379   8.454 1 U         -7.950e+02  0.00e+00 m   0 1670 1689 1671 0 #N 212, HN 213, HN 212, 
1927 125.602   8.247   8.379 1 U         -3.750e+02  0.00e+00 m   0 1688 1699 1689 0 #N 213, HN 214, HN 213, 
1928 115.008   8.294   8.247 1 U         -1.800e+02  0.00e+00 m   0 1698 1709 1699 0 #N 214, HN 215, HN 214, 
1929 125.960   8.180   8.294 1 U         -1.350e+02  0.00e+00 m   0 1708 1719 1709 0 #N 215, HN 216, HN 215, 
1930 114.796   8.117   8.180 1 U         -7.120e+02  0.00e+00 m   0 1718 1729 1719 0 #N 216, HN 217, HN 216, 
1931 121.991   8.293   8.117 1 U         -1.008e+03  0.00e+00 m   0 1728 1752 1729 0 #N 217, HN 218, HN 217, 
1932 122.317   8.178   8.293 1 U         -2.831e+03  0.00e+00 m   0 1751 1763 1752 0 #N 218, HN 219, HN 218, 
1933 116.367   8.508   8.178 1 U         -3.128e+03  0.00e+00 m   0 1762 1773 1763 0 #N 219, HN 220, HN 219, 
1934 122.816   8.319   8.508 1 U         -7.248e+03  0.00e+00 m   0 1772 1788 1773 0 #N 220, HN 221, HN 220, 
1935 121.263   8.493   8.319 1 U         -6.098e+03  0.00e+00 m   0 1787 1803 1788 0 #N 221, HN 222, HN 221, 
1936 122.698   8.405   8.493 1 U         -5.961e+03  0.00e+00 m   0 1802 1818 1803 0 #N 222, HN 223, HN 222, 
1937 122.477   8.374   8.405 1 U         -3.531e+04  0.00e+00 m   0 1817 1833 1818 0 #N 223, HN 224, HN 223, 
1938 122.084   8.420   8.374 1 U         -8.870e+04  0.00e+00 m   0 1832 1848 1833 0 #N 224, HN 225, HN 224, 
1939 109.364   8.242   8.420 1 U         -4.203e+03  0.00e+00 m   0 1847 1855 1848 0 #N 225, HN 226, HN 225, 
1940 122.394   9.216   8.651 1 U         -4.800e+02  0.00e+00 m   0 1892 1911 1893 0 #N 228, HN 229, HN 228, 
1941 120.008   9.161   9.216 1 U         -4.540e+02  0.00e+00 m   0 1910 1921 1911 0 #N 229, HN 230, HN 229, 
1942 122.559   8.481   9.161 1 U         -2.200e+01  0.00e+00 m   0 1920 1944 1921 0 #N 230, HN 231, HN 230, 
1943 116.981   7.803   8.481 1 U         -8.110e+02  0.00e+00 m   0 1943 1955 1944 0 #N 231, HN 232, HN 231, 
1944 120.477   8.095   7.803 1 U         -8.220e+02  0.00e+00 m   0 1954 1970 1955 0 #N 232, HN 233, HN 232, 
1945 121.501   8.430   8.095 1 U         -4.820e+02  0.00e+00 m   0 1969 1995 1970 0 #N 233, HN 234, HN 233, 
1946 119.003   8.012   8.430 1 U         -7.390e+02  0.00e+00 m   0 1994 2021 1995 0 #N 234, HN 235, HN 234, 
1947 119.207   7.665   8.012 1 U         -1.049e+03  0.00e+00 m   0 2020 2039 2021 0 #N 235, HN 236, HN 235, 
1948 120.376   7.517   7.665 1 U         -9.980e+02  0.00e+00 m   0 2038 2061 2039 0 #N 236, HN 237, HN 236, 
1949 111.872   7.885   7.517 1 U         -9.740e+02  0.00e+00 m   0 2060 2071 2061 0 #N 237, HN 238, HN 237, 
1950 121.053   8.752   7.885 1 U         -7.740e+02  0.00e+00 m   0 2070 2093 2071 0 #N 238, HN 239, HN 238, 
1951 121.753   8.457   8.752 1 U         -5.640e+02  0.00e+00 m   0 2092 2104 2093 0 #N 239, HN 240, HN 239, 
1952 120.696   7.641   8.457 1 U         -1.598e+03  0.00e+00 m   0 2103 2125 2104 0 #N 240, HN 241, HN 240, 
1954 116.229   7.397   7.610 1 U         -1.920e+03  0.00e+00 m   0 2138 2165 2139 0 #N 242, HN 243, HN 242, 
1955 111.270   9.578   8.977 1 U         -4.730e+02  0.00e+00 m   0 2202 2210 2203 0 #N 245, HN 246, HN 245, 
1957 116.604   7.871   8.070 1 U         -2.530e+02  0.00e+00 m   0 2224 2250 2225 0 #N 247, HN 248, HN 247, 
1958 120.351   8.229   7.871 1 U         -4.460e+02  0.00e+00 m   0 2249 2272 2250 0 #N 248, HN 249, HN 248, 
1959 107.946   7.729   8.229 1 U         -2.880e+02  0.00e+00 m   0 2271 2279 2272 0 #N 249, HN 250, HN 249, 
1960 120.812   6.962   7.729 1 U         -8.410e+02  0.00e+00 m   0 2278 2305 2279 0 #N 250, HN 251, HN 250, 
1962 117.482   7.618   6.930 1 U         -7.430e+02  0.00e+00 m   0 2322 2341 2323 0 #N 252, HN 253, HN 252, 
1963 117.756   8.489   7.618 1 U         -9.770e+02  0.00e+00 m   0 2340 2358 2341 0 #N 253, HN 254, HN 253, 
1964 121.653   7.596   8.489 1 U         -6.340e+02  0.00e+00 m   0 2357 2379 2358 0 #N 254, HN 255, HN 254, 
1965 117.245   8.687   7.596 1 U         -6.630e+02  0.00e+00 m   0 2378 2400 2379 0 #N 255, HN 256, HN 255, 
1966 116.201   8.023   8.687 1 U         -8.450e+02  0.00e+00 m   0 2399 2418 2400 0 #N 256, HN 257, HN 256, 
1967 111.753   7.392   8.023 1 U         -1.450e+03  0.00e+00 m   0 2417 2428 2418 0 #N 257, HN 258, HN 257, 
1968 118.578   7.877   7.392 1 U         -1.829e+03  0.00e+00 m   0 2427 2454 2428 0 #N 258, HN 259, HN 258, 
1969 113.310   8.008   8.408 1 U         -1.117e+03  0.00e+00 m   0 2484 2495 2485 0 #N 261, HN 262, HN 261, 
1970 122.736   7.831   8.008 1 U          6.186e+03  0.00e+00 m   0 2494 2517 2495 0 #N 262, HN 263, HN 262, 
1971 121.277   8.256   7.831 1 U         -1.289e+03  0.00e+00 m   0 2516 2543 2517 0 #N 263, HN 264, HN 263, 
1972 120.010   7.832   8.256 1 U         -2.891e+03  0.00e+00 m   0 2542 2554 2543 0 #N 264, HN 265, HN 264, 
1973 114.969   8.562   7.832 1 U         -7.240e+02  0.00e+00 m   0 2553 2564 2554 0 #N 265, HN 266, HN 265, 
1974 115.403   7.483   8.202 1 U         -4.925e+03  0.00e+00 m   0 2593 2605 2594 0 #N 268, HN 269, HN 268, 
1975 118.796   9.087   7.483 1 U         -1.235e+03  0.00e+00 m   0 2604 2620 2605 0 #N 269, HN 270, HN 269, 
1976 122.694   8.636   9.087 1 U         -5.980e+02  0.00e+00 m   0 2619 2641 2620 0 #N 270, HN 271, HN 270, 
1977 127.318   8.975   8.636 1 U         -6.090e+02  0.00e+00 m   0 2640 2656 2641 0 #N 271, HN 272, HN 271, 
1979 126.062   9.311   8.520 1 U         -4.450e+02  0.00e+00 m   0 2676 2688 2677 0 #N 273, HN 274, HN 273, 
1980 122.645   8.702   9.311 1 U         -9.940e+02  0.00e+00 m   0 2687 2711 2688 0 #N 274, HN 275, HN 274, 
1981 114.946   7.556   8.702 1 U         -2.073e+03  0.00e+00 m   0 2710 2726 2711 0 #N 275, HN 276, HN 275, 
1982 106.475   6.711   7.556 1 U         -3.112e+03  0.00e+00 m   0 2725 2739 2726 0 #N 276, HN 277, HN 276, 
1983 121.940  10.010   6.711 1 U         -4.110e+02  0.00e+00 m   0 2738 2761 2739 0 #N 277, HN 278, HN 277, 
1985 121.181   8.009   7.284 1 U         -1.043e+03  0.00e+00 m   0 2814 2828 2815 0 #N 281, HN 282, HN 281, 
1986 120.608   8.186   8.009 1 U         -2.910e+02  0.00e+00 m   0 2827 2850 2828 0 #N 282, HN 283, HN 282, 
1987 115.742   7.987   8.186 1 U         -2.578e+03  0.00e+00 m   0 2849 2876 2850 0 #N 283, HN 284, HN 283, 
1988 122.955   8.501   7.987 1 U         -1.124e+03  0.00e+00 m   0 2875 2891 2876 0 #N 284, HN 285, HN 284, 
1989 120.157   8.623   8.501 1 U         -5.120e+02  0.00e+00 m   0 2890 2913 2891 0 #N 285, HN 286, HN 285, 
1990 120.411   8.052   8.623 1 U         -5.820e+02  0.00e+00 m   0 2912 2928 2913 0 #N 286, HN 287, HN 286, 
1991 118.748   8.079   8.052 1 U         -2.153e+03  0.00e+00 m   0 2927 2954 2928 0 #N 287, HN 288, HN 287, 
1992 120.714   9.145   8.079 1 U         -3.130e+02  0.00e+00 m   0 2953 2977 2954 0 #N 288, HN 289, HN 288, 
1993 121.752   8.202   9.145 1 U         -4.040e+02  0.00e+00 m   0 2976 2995 2977 0 #N 289, HN 290, HN 289, 
1994 118.888   7.594   8.202 1 U         -6.810e+02  0.00e+00 m   0 2994 3020 2995 0 #N 290, HN 291, HN 290, 
1995 114.092   7.496   7.594 1 U         -8.110e+02  0.00e+00 m   0 3019 3030 3020 0 #N 291, HN 292, HN 291, 
1996 118.684   7.618   7.496 1 U         -1.823e+03  0.00e+00 m   0 3029 3040 3030 0 #N 292, HN 293, HN 292, 
1997 119.063   7.781   7.618 1 U         -1.758e+03  0.00e+00 m   0 3039 3062 3040 0 #N 293, HN 294, HN 293, 
1998 119.211   8.191   7.781 1 U         -1.190e+03  0.00e+00 m   0 3061 3080 3062 0 #N 294, HN 295, HN 294, 
1999 122.965   8.015   8.191 1 U         -8.770e+02  0.00e+00 m   0 3079 3105 3080 0 #N 295, HN 296, HN 295, 
2000 120.812   6.930   7.729 3 U         -8.930e+02  0.00e+00 m   0 2278 2323 2279 0 #N 250, HN 252, HN 250, 
2003 117.482   7.729   6.930 3 U         -3.290e+02  0.00e+00 m   0 2322 2279 2323 0 #N 252, HN 250, HN 252, 
2004 117.482   8.489   6.930 3 U         -3.140e+02  0.00e+00 m   0 2322 2358 2323 0 #N 252, HN 254, HN 252, 
2005 117.756   3.228   7.618 3 U         -6.050e+02  0.00e+00 m   0 2340 2307 2341 0 #N 253, HA 251, HN 253, 
2006 117.756   6.962   7.618 3 U         -9.910e+02  0.00e+00 m   0 2340 2305 2341 0 #N 253, HN 251, HN 253, 
2007 117.756   4.004   7.618 3 U         -6.870e+02  0.00e+00 m   0 2340 2281 2341 0 #N 253, HA 250, HN 253, 
2008 117.756   7.596   7.618 3 U         -3.052e+03  0.00e+00 m   0 2340 2379 2341 0 #N 253, HN 255, HN 253, 
2009 121.653   2.924   8.489 3 U         -2.690e+02  0.00e+00 m   0 2357 2325 2358 0 #N 254, HA 252, HN 254, 
2011 121.653   3.228   8.489 3 U         -8.000e+00  0.00e+00 m   0 2357 2307 2358 0 #N 254, HA 251, HN 254, 
2012 121.653   4.004   8.489 3 U         -3.230e+02  0.00e+00 m   0 2357 2281 2358 0 #N 254, HA 250, HN 254, 
2014 117.245   7.618   7.596 3 U         -1.282e+04  0.00e+00 m   0 2378 2341 2379 0 #N 255, HN 253, HN 255, 
2016 117.245   3.228   7.596 3 U         -4.140e+02  0.00e+00 m   0 2378 2307 2379 0 #N 255, HA 251, HN 255, 
2017 106.245   8.009   7.885 3 U          1.600e+01  0.00e+00 m   0 2801 2828 2802 0 #N 280, HN 282, HN 280, 
2018 121.181   4.214   7.284 3 U         -9.980e+02  0.00e+00 m   0 2814 2788 2815 0 #N 281, HA 279, HN 281, 
2019 121.181   8.186   7.284 3 U         -3.150e+02  0.00e+00 m   0 2814 2850 2815 0 #N 281, HN 283, HN 281, 
2020 120.608   4.008   8.009 3 U         -4.810e+02  0.00e+00 m   0 2827 2804 2828 0 #N 282, HA 280, HN 282, 
2021 120.608   7.885   8.009 3 U         -2.578e+03  0.00e+00 m   0 2827 2802 2828 0 #N 282, HN 280, HN 282, 
2022 120.608   4.214   8.009 3 U         -2.560e+02  0.00e+00 m   0 2827 2788 2828 0 #N 282, HA 279, HN 282, 
2023 120.608   7.987   8.009 3 U         -4.215e+03  0.00e+00 m   0 2827 2876 2828 0 #N 282, HN 284, HN 282, 
2024 115.742   3.745   8.186 3 U         -3.180e+02  0.00e+00 m   0 2849 2817 2850 0 #N 283, HA 281, HN 283, 
2025 115.742   7.284   8.186 3 U         -1.900e+02  0.00e+00 m   0 2849 2815 2850 0 #N 283, HN 281, HN 283, 
2026 115.742   4.008   8.186 3 U         -1.711e+03  0.00e+00 m   0 2849 2804 2850 0 #N 283, HA 280, HN 283, 
2027 115.742   4.214   8.186 3 U         -1.632e+03  0.00e+00 m   0 2849 2788 2850 0 #N 283, HA 279, HN 283, 
2029 122.955   8.009   7.987 3 U         -9.532e+03  0.00e+00 m   0 2875 2828 2876 0 #N 284, HN 282, HN 284, 
2031 122.955   4.008   7.987 3 U         -1.200e+02  0.00e+00 m   0 2875 2804 2876 0 #N 284, HA 280, HN 284, 
2032 120.411   8.079   8.623 3 U         -3.520e+02  0.00e+00 m   0 2912 2954 2913 0 #N 286, HN 288, HN 286, 
2036 120.714   8.202   8.079 3 U         -3.490e+02  0.00e+00 m   0 2953 2995 2954 0 #N 288, HN 290, HN 288, 
2038 121.752   8.052   9.145 3 U         -7.340e+02  0.00e+00 m   0 2976 2928 2977 0 #N 289, HN 287, HN 289, 
2041 118.888   4.356   8.202 3 U         -2.062e+03  0.00e+00 m   0 2994 2956 2995 0 #N 290, HA 288, HN 290, 
2042 118.888   8.079   8.202 3 U         -3.130e+02  0.00e+00 m   0 2994 2954 2995 0 #N 290, HN 288, HN 290, 
2043 118.888   3.994   8.202 3 U         -2.130e+02  0.00e+00 m   0 2994 2930 2995 0 #N 290, HA 287, HN 290, 
2046 114.092   9.145   7.594 3 U         -3.500e+02  0.00e+00 m   0 3019 2977 3020 0 #N 291, HN 289, HN 291, 
2047 114.092   4.356   7.594 3 U         -6.340e+02  0.00e+00 m   0 3019 2956 3020 0 #N 291, HA 288, HN 291, 
2048 114.092   3.994   7.594 3 U         -4.664e+03  0.00e+00 m   0 3019 2930 3020 0 #N 291, HA 287, HN 291, 
9005 118.447   1.237   7.723 1 U         -5.190e+02  0.00e+00 m   0   86    0   87 0 #N 6,  0, HN 6, 
9020 125.205   7.761  10.146 1 U         -1.086e+03  0.00e+00 m   0  113  128  114 0 #N 8, HE1 8, HN 8, 
9024 125.205   3.256  10.146 1 U         -1.049e+03  0.00e+00 m   0  113    0  114 0 #N 8,  0, HN 8, 
9026 125.205   1.253  10.146 1 U         -1.367e+03  0.00e+00 m   0  113    0  114 0 #N 8,  0, HN 8, 
9027 125.205   0.805  10.146 1 U         -5.340e+02  0.00e+00 m   0  113    0  114 0 #N 8,  0, HN 8, 
9028 125.205   0.566  10.146 1 U         -1.806e+03  0.00e+00 m   0  113    0  114 0 #N 8,  0, HN 8, 
9042 122.243   1.251   8.950 1 U         -4.030e+02  0.00e+00 m   0  130    0  131 0 #N 9,  0, HN 9, 
9043 122.243   0.837   8.950 1 U         -7.250e+02  0.00e+00 m   0  130    0  131 0 #N 9,  0, HN 9, 
9045 122.243   0.554   8.950 1 U         -7.340e+02  0.00e+00 m   0  130    0  131 0 #N 9,  0, HN 9, 
9046 122.243   0.387   8.950 1 U         -5.380e+02  0.00e+00 m   0  130    0  131 0 #N 9,  0, HN 9, 
9047 122.243   2.835   8.950 1 U         -9.110e+02  0.00e+00 m   0  130    0  131 0 #N 9,  0, HN 9, 
9048 122.243   3.003   8.950 1 U         -1.104e+03  0.00e+00 m   0  130    0  131 0 #N 9,  0, HN 9, 
9049 122.243   8.257   8.950 1 U         -9.620e+02  0.00e+00 m   0  130    0  131 0 #N 9,  0, HN 9, 
9068 120.888   0.770   8.398 1 U         -2.141e+03  0.00e+00 m   0  148    0  149 0 #N 10,  0, HN 10, 
9069 120.888   1.234   8.398 1 U         -3.908e+03  0.00e+00 m   0  148    0  149 0 #N 10,  0, HN 10, 
9071 120.888   2.343   8.398 1 U         -5.160e+02  0.00e+00 m   0  148    0  149 0 #N 10,  0, HN 10, 
9076 120.888   4.558   8.398 1 U         -5.020e+02  0.00e+00 m   0  148    0  149 0 #N 10,  0, HN 10, 
9105 116.769   2.339   9.045 1 U         -2.366e+03  0.00e+00 m   0  166    0  167 0 #N 11,  0, HN 11, 
9117 116.769   0.756   9.045 1 U         -3.675e+03  0.00e+00 m   0  166    0  167 0 #N 11,  0, HN 11, 
9118 116.769   0.850   9.045 1 U         -1.951e+03  0.00e+00 m   0  166    0  167 0 #N 11,  0, HN 11, 
9119 116.769   1.224   9.045 1 U         -6.470e+02  0.00e+00 m   0  166    0  167 0 #N 11,  0, HN 11, 
9122 122.309   8.402   8.245 1 U         -2.855e+03  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9126 114.760   9.034   8.585 1 U         -1.221e+03  0.00e+00 m   0  184    0  185 0 #N 13,  0, HN 13, 
9127 122.309   3.235   8.245 1 U         -2.266e+03  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9128 122.309   2.339   8.245 1 U         -4.487e+03  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9129 122.309   2.029   8.245 1 U         -8.900e+02  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9130 122.309   1.952   8.245 1 U         -8.830e+02  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9131 122.309   1.092   8.245 1 U         -3.505e+03  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9132 122.309   0.996   8.245 1 U         -2.522e+03  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9133 122.309   0.837   8.245 1 U         -5.415e+03  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9134 122.309   0.741   8.245 1 U         -3.265e+03  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9140 122.309   0.588   8.245 1 U         -1.029e+03  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9141 122.309   0.401   8.245 1 U         -2.144e+03  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
9144 114.760   0.847   8.585 1 U         -1.504e+03  0.00e+00 m   0  184    0  185 0 #N 13,  0, HN 13, 
9145 114.760   0.388   8.585 1 U         -2.113e+03  0.00e+00 m   0  184    0  185 0 #N 13,  0, HN 13, 
9161 114.760   4.891   8.585 1 U         -1.484e+03  0.00e+00 m   0  184    0  185 0 #N 13,  0, HN 13, 
9162 114.760   4.549   8.585 1 U         -7.980e+02  0.00e+00 m   0  184    0  185 0 #N 13,  0, HN 13, 
9170 117.334   9.162   9.285 1 U         -3.056e+03  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
9171 117.334   9.016   9.285 1 U         -9.720e+02  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
9182 121.563   8.988   9.233 1 U         -1.900e+03  0.00e+00 m   0  215  936  216 0 #N 15, HN 57, HN 15, 
9186 121.563   7.931   9.233 1 U         -9.820e+02  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9187 129.170   7.931  10.232 1 U         -7.540e+02  0.00e+00 m   0  228  971  233 0 #NE1 15, HN 59, HE1 15, 
9188 129.170   8.117  10.232 1 U         -1.574e+03  0.00e+00 m   0  228  525  233 0 #NE1 15, HN 30, HE1 15, 
9190 121.563   4.486   9.233 1 U         -7.260e+02  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9197 129.170   4.354  10.232 1 U         -4.476e+03  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9198 129.170   3.512  10.232 1 U         -5.850e+02  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9200 121.563   1.975   9.233 1 U         -7.300e+02  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9201 121.563   1.601   9.233 1 U         -7.930e+02  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9202 121.563   1.410   9.233 1 U         -7.670e+02  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9203 121.563   1.333   9.233 1 U         -4.170e+02  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9204 121.563   1.023   9.233 1 U         -1.564e+03  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9205 121.563   0.864   9.233 1 U         -1.891e+03  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9206 121.563   0.773   9.233 1 U         -1.484e+03  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9219 129.170   3.085  10.232 1 U         -6.540e+02  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9220 129.170   3.185  10.232 1 U         -6.020e+02  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9221 129.170   2.186  10.232 1 U         -7.610e+02  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9222 129.170   1.499  10.232 1 U         -7.290e+02  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9223 129.170   1.178  10.232 1 U         -9.890e+02  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9224 129.170   1.032  10.232 1 U         -7.158e+03  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9225 129.170   0.869  10.232 1 U         -5.250e+02  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9226 121.563   0.597   9.233 1 U         -2.558e+03  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
9237 129.170   5.086  10.232 1 U         -5.690e+02  0.00e+00 m   0  228    0  233 0 #NE1 15,  0, HE1 15, 
9239 118.448   9.803   9.618 1 U         -1.596e+03  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
9243 118.448   6.582   9.618 1 U         -1.181e+03  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
9259 129.147   5.541   8.830 1 U         -1.070e+03  0.00e+00 m   0  257    0  258 0 #N 17,  0, HN 17, 
9261 129.147   3.657   8.830 1 U         -7.360e+02  0.00e+00 m   0  257    0  258 0 #N 17,  0, HN 17, 
9262 129.147   3.257   8.830 1 U         -6.030e+02  0.00e+00 m   0  257    0  258 0 #N 17,  0, HN 17, 
9263 118.448   3.534   9.618 1 U         -5.040e+02  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
9264 118.448   5.054   9.618 1 U         -7.500e+02  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
9265 118.448   1.570   9.618 1 U         -4.410e+02  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
9275 118.448   0.665   9.618 1 U         -3.000e+00  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
9276 118.448   0.579   9.618 1 U         -2.980e+02  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
9277 118.448   0.419   9.618 1 U         -9.810e+02  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
9278 118.448   0.287   9.618 1 U         -5.220e+02  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
9306 129.147   7.306   8.830 1 U         -9.470e+02  0.00e+00 m   0  257    0  258 0 #N 17,  0, HN 17, 
9307 129.147   7.133   8.830 1 U         -7.420e+02  0.00e+00 m   0  257    0  258 0 #N 17,  0, HN 17, 
9308 129.147   7.015   8.830 1 U         -1.247e+03  0.00e+00 m   0  257    0  258 0 #N 17,  0, HN 17, 
9320 124.771   9.808   8.402 1 U         -9.230e+02  0.00e+00 m   0  283    0  284 0 #N 18,  0, HN 18, 
9324 124.771   5.009   8.402 1 U         -1.222e+03  0.00e+00 m   0  283    0  284 0 #N 18,  0, HN 18, 
9335 113.389   0.873   7.639 1 U         -7.010e+02  0.00e+00 m   0  391    0  392 0 #ND2 23,  0, HD21 23, 
9336 113.389   0.869   6.960 1 U         -9.850e+02  0.00e+00 m   0  391    0  393 0 #ND2 23,  0, HD22 23, 
9337 113.389   1.683   6.960 1 U         -5.340e+02  0.00e+00 m   0  391    0  393 0 #ND2 23,  0, HD22 23, 
9341 121.774   2.839   8.198 1 U         -8.250e+02  0.00e+00 m   0  418    0  419 0 #N 25,  0, HN 25, 
9342 121.774   3.641   8.198 1 U         -1.289e+03  0.00e+00 m   0  418    0  419 0 #N 25,  0, HN 25, 
9343 121.774   3.800   8.198 1 U         -1.130e+03  0.00e+00 m   0  418    0  419 0 #N 25,  0, HN 25, 
9373 129.346   3.187  10.190 1 U         -7.870e+02  0.00e+00 m   0  488    0  493 0 #NE1 28,  0, HE1 28, 
9379 123.334   9.625   9.789 1 U         -1.976e+03  0.00e+00 m   0  499    0  500 0 #N 29,  0, HN 29, 
9383 123.334   8.389   9.789 1 U         -1.353e+03  0.00e+00 m   0  499    0  500 0 #N 29,  0, HN 29, 
9396 123.334   3.911   9.789 1 U         -1.072e+03  0.00e+00 m   0  499    0  500 0 #N 29,  0, HN 29, 
9397 123.334   3.270   9.789 1 U         -5.160e+02  0.00e+00 m   0  499    0  500 0 #N 29,  0, HN 29, 
9402 123.334   0.918   9.789 1 U         -8.390e+02  0.00e+00 m   0  499    0  500 0 #N 29,  0, HN 29, 
9403 123.334   0.832   9.789 1 U         -1.139e+03  0.00e+00 m   0  499    0  500 0 #N 29,  0, HN 29, 
9408 109.451   7.292   8.113 1 U         -5.650e+02  0.00e+00 m   0  524    0  525 0 #N 30,  0, HN 30, 
9410 109.451   6.881   8.113 1 U         -5.780e+02  0.00e+00 m   0  524    0  525 0 #N 30,  0, HN 30, 
9412 109.451   6.574   8.113 1 U         -1.001e+03  0.00e+00 m   0  524    0  525 0 #N 30,  0, HN 30, 
9427 109.451   5.250   8.113 1 U         -6.290e+02  0.00e+00 m   0  524    0  525 0 #N 30,  0, HN 30, 
9447 119.358   5.211   9.160 1 U         -1.540e+03  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
9450 119.358   1.977   9.160 1 U         -7.120e+02  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
9460 119.358   1.023   9.160 1 U         -3.024e+03  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
9461 119.358   0.831   9.160 1 U         -1.046e+03  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
9462 119.358   0.429   9.160 1 U         -3.486e+03  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
9463 119.358   0.316   9.160 1 U         -1.022e+03  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
9483 118.079   0.314   9.199 1 U         -1.843e+03  0.00e+00 m   0  554    0  555 0 #N 33,  0, HN 33, 
9485 118.079   1.969   9.199 1 U         -1.628e+03  0.00e+00 m   0  554    0  555 0 #N 33,  0, HN 33, 
9486 118.079   2.478   9.199 1 U         -1.237e+03  0.00e+00 m   0  554    0  555 0 #N 33,  0, HN 33, 
9504 118.079   8.572   9.199 1 U         -1.445e+03  0.00e+00 m   0  554    0  555 0 #N 33,  0, HN 33, 
9515 126.110   0.593   9.033 1 U         -1.317e+03  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
9516 126.110   0.427   9.033 1 U         -3.233e+03  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
9518 126.110   2.992   9.033 1 U         -5.210e+02  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
9519 126.110   3.234   9.033 1 U         -7.960e+02  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
9520 126.110   3.517   9.033 1 U         -2.080e+02  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
9538 126.110   5.198   9.033 1 U         -2.096e+03  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
9543 126.110   8.593   9.033 1 U         -5.070e+02  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
9544 126.110   8.250   9.033 1 U         -1.747e+03  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
9545 126.110   9.284   9.033 1 U         -8.430e+02  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
9560 130.353   8.516   9.618 1 U         -1.151e+03  0.00e+00 m   0  585    0  586 0 #N 35,  0, HN 35, 
9569 130.353   5.096   9.618 1 U         -1.937e+03  0.00e+00 m   0  585    0  586 0 #N 35,  0, HN 35, 
9578 130.353   1.953   9.618 1 U         -5.870e+02  0.00e+00 m   0  585    0  586 0 #N 35,  0, HN 35, 
9579 130.353   1.043   9.618 1 U         -5.540e+02  0.00e+00 m   0  585    0  586 0 #N 35,  0, HN 35, 
9580 130.353   0.593   9.618 1 U         -9.230e+02  0.00e+00 m   0  585    0  586 0 #N 35,  0, HN 35, 
9581 130.353   0.437   9.618 1 U         -2.249e+03  0.00e+00 m   0  585    0  586 0 #N 35,  0, HN 35, 
9582 130.353   0.309   9.618 1 U         -7.620e+02  0.00e+00 m   0  585    0  586 0 #N 35,  0, HN 35, 
9589 116.951   0.593   7.601 1 U         -2.916e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9590 116.951   0.421   7.601 1 U         -1.959e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9591 116.951   0.320   7.601 1 U         -2.400e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9592 116.951   1.252   7.601 1 U         -4.698e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9614 116.951   1.819   7.601 1 U         -1.156e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9615 116.951   1.927   7.601 1 U         -6.400e+02  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9616 116.951   2.323   7.601 1 U         -3.720e+02  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9617 116.951   3.228   7.601 1 U         -5.040e+02  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9619 116.951   3.763   7.601 1 U         -2.795e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9620 116.951   5.086   7.601 1 U         -2.158e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9621 116.951   5.284   7.601 1 U         -1.073e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9622 116.951   5.375   7.601 1 U         -6.870e+02  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9653 116.951   8.491   7.601 1 U         -4.016e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9654 116.951   9.054   7.601 1 U         -9.880e+02  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
9659 110.485   9.601   8.733 1 U         -3.300e+02  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9660 110.485   8.470   8.733 1 U         -8.710e+02  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9661 110.485   6.992   8.733 1 U         -9.370e+02  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9662 110.485   6.745   8.733 1 U         -4.700e+02  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9676 110.485   5.279   8.733 1 U         -1.243e+03  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9683 110.485   0.770   8.733 1 U         -1.979e+03  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9684 110.485   0.588   8.733 1 U         -8.680e+02  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9685 110.485   0.309   8.733 1 U         -5.090e+02  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9686 110.485   1.541   8.733 1 U         -3.092e+03  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9688 110.485   1.863   8.733 1 U         -6.930e+02  0.00e+00 m   0  629    0  630 0 #N 37,  0, HN 37, 
9703 115.133   8.492   9.020 1 U         -1.143e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9704 115.133   7.999   9.020 1 U         -1.588e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9707 115.133   7.212   9.020 1 U         -5.900e+02  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9708 115.133   7.003   9.020 1 U         -5.790e+02  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9709 115.133   6.735   9.020 1 U         -1.772e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9721 115.133   5.252   9.020 1 U         -2.940e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9723 115.133   3.908   9.020 1 U         -3.770e+02  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9732 115.133   0.759   9.020 1 U         -1.055e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9733 115.133   0.577   9.020 1 U         -1.897e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9734 115.133   1.081   9.020 1 U         -1.257e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9735 115.133   1.564   9.020 1 U         -1.193e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9736 115.133   1.675   9.020 1 U         -1.335e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9737 115.133   1.825   9.020 1 U         -1.684e+03  0.00e+00 m   0  642    0  643 0 #N 38,  0, HN 38, 
9757 130.693   0.910   7.512 1 U         -1.131e+03  0.00e+00 m   0  671    0  672 0 #N 40,  0, HN 40, 
9758 130.693   1.285   7.512 1 U         -2.053e+03  0.00e+00 m   0  671    0  672 0 #N 40,  0, HN 40, 
9765 130.693   5.184   7.512 1 U         -8.440e+02  0.00e+00 m   0  671    0  672 0 #N 40,  0, HN 40, 
9770 130.693   9.050   7.512 1 U         -8.540e+02  0.00e+00 m   0  671    0  672 0 #N 40,  0, HN 40, 
9771 126.151   0.911   7.986 1 U         -1.251e+03  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
9772 126.220   0.772   7.973 1 U         -1.212e+03  0.00e+00 m   0  880    0  881 0 #N 53,  0, HN 53, 
9773 126.220   0.568   7.973 1 U         -2.602e+03  0.00e+00 m   0  880    0  881 0 #N 53,  0, HN 53, 
9774 126.151   1.821   7.986 1 U         -3.470e+02  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
9776 126.151   4.150   7.986 1 U         -5.230e+02  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
9778 126.151   3.909   7.986 1 U         -5.290e+02  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
9779 126.151   6.747   7.986 1 U         -1.174e+03  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
9781 126.151   7.202   7.986 1 U         -4.990e+02  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
9782 126.151   8.354   7.986 1 U         -4.450e+02  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
9806 116.828   0.772   9.373 1 U         -8.960e+02  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9807 116.828   1.044   9.373 1 U         -1.269e+03  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9829 116.828   2.892   9.373 1 U         -6.410e+02  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9830 116.828   2.972   9.373 1 U         -8.810e+02  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9831 116.828   4.306   9.373 1 U         -1.239e+03  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9832 116.828   4.456   9.373 1 U         -1.241e+03  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9833 116.828   6.720   9.373 1 U         -7.910e+02  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9834 116.828   7.197   9.373 1 U         -1.755e+03  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9849 116.828   9.056   9.373 1 U         -6.930e+02  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9850 116.828   9.592   9.373 1 U         -2.646e+03  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
9912 120.408   0.912   8.478 1 U         -3.931e+03  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9913 120.408   1.045   8.478 1 U         -2.167e+03  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9914 120.408   1.431   8.478 1 U         -2.646e+03  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9936 120.408   7.621   8.478 1 U         -3.313e+03  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9937 120.408   7.203   8.478 1 U         -1.048e+03  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9938 120.408   7.016   8.478 1 U         -5.790e+02  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9939 120.408   6.710   8.478 1 U         -2.292e+03  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9966 120.408   8.724   8.478 1 U         -6.110e+02  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9967 120.408   9.045   8.478 1 U         -9.840e+02  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9976 120.408   5.415   8.478 1 U         -1.688e+03  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
9995 118.625   1.517   9.829 1 U         -9.440e+02  0.00e+00 m   0  741    0  742 0 #N 44,  0, HN 44, 
10051 118.625   9.624   9.829 1 U         -7.290e+02  0.00e+00 m   0  741    0  742 0 #N 44,  0, HN 44, 
10065 120.987   9.212   8.548 1 U         -1.800e+03  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10066 120.987   9.628   8.548 1 U         -1.783e+03  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10072 120.987   7.186   8.548 1 U         -6.150e+02  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10073 120.987   7.628   8.548 1 U         -6.820e+02  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10080 120.987   3.899   8.548 1 U         -9.910e+02  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10081 120.987   3.761   8.548 1 U         -1.307e+03  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10082 120.987   2.280   8.548 1 U         -6.800e+02  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10084 120.987   1.542   8.548 1 U         -2.787e+03  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10085 120.987   1.387   8.548 1 U         -4.820e+02  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10095 120.987   1.109   8.548 1 U         -7.840e+02  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10096 120.987   0.758   8.548 1 U         -7.180e+03  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
10099 112.027   1.533   8.291 1 U         -1.053e+03  0.00e+00 m   0  770    0  771 0 #N 46,  0, HN 46, 
10100 120.119   1.374   7.016 1 U         -1.433e+03  0.00e+00 m   0  777    0  778 0 #N 47,  0, HN 47, 
10103 112.027   0.875   8.291 1 U         -9.890e+02  0.00e+00 m   0  770    0  771 0 #N 46,  0, HN 46, 
10104 112.027   0.752   8.291 1 U         -4.743e+03  0.00e+00 m   0  770    0  771 0 #N 46,  0, HN 46, 
10105 112.027   0.295   8.291 1 U         -1.680e+03  0.00e+00 m   0  770    0  771 0 #N 46,  0, HN 46, 
10116 120.119   6.629   7.016 1 U         -1.089e+03  0.00e+00 m   0  777    0  778 0 #N 47,  0, HN 47, 
10117 120.119   7.316   7.016 1 U         -1.534e+03  0.00e+00 m   0  777    0  778 0 #N 47,  0, HN 47, 
10119 120.119   8.569   7.016 1 U         -5.590e+02  0.00e+00 m   0  777    0  778 0 #N 47,  0, HN 47, 
10120 120.119   9.840   7.016 1 U         -5.160e+02  0.00e+00 m   0  777    0  778 0 #N 47,  0, HN 47, 
10152 120.119   0.422   7.016 1 U         -1.190e+03  0.00e+00 m   0  777    0  778 0 #N 47,  0, HN 47, 
10159 120.136   0.865   7.312 1 U         -2.143e+04  0.00e+00 m   0  808    0  809 0 #N 49,  0, HN 49, 
10160 120.136   0.689   7.312 1 U         -2.403e+03  0.00e+00 m   0  808    0  809 0 #N 49,  0, HN 49, 
10161 120.136   0.289   7.312 1 U         -3.233e+03  0.00e+00 m   0  808    0  809 0 #N 49,  0, HN 49, 
10175 120.136   2.146   7.312 1 U         -4.730e+02  0.00e+00 m   0  808    0  809 0 #N 49,  0, HN 49, 
10187 120.136   7.003   7.312 1 U         -3.110e+02  0.00e+00 m   0  808    0  809 0 #N 49,  0, HN 49, 
10206 129.857   2.154  10.223 1 U         -1.269e+03  0.00e+00 m   0  831    0  836 0 #NE1 50,  0, HE1 50, 
10207 129.857   1.779  10.223 1 U         -1.666e+03  0.00e+00 m   0  831    0  836 0 #NE1 50,  0, HE1 50, 
10208 129.857   1.345  10.223 1 U         -5.120e+02  0.00e+00 m   0  831    0  836 0 #NE1 50,  0, HE1 50, 
10219 118.893   1.727   8.253 1 U         -6.460e+02  0.00e+00 m   0  818    0  819 0 #N 50,  0, HN 50, 
10220 118.893   2.149   8.253 1 U         -8.640e+02  0.00e+00 m   0  818    0  819 0 #N 50,  0, HN 50, 
10221 118.893   0.850   8.253 1 U         -1.140e+03  0.00e+00 m   0  818    0  819 0 #N 50,  0, HN 50, 
10222 118.893   0.776   8.253 1 U         -9.780e+02  0.00e+00 m   0  818    0  819 0 #N 50,  0, HN 50, 
10223 118.893   0.612   8.253 1 U         -5.890e+02  0.00e+00 m   0  818    0  819 0 #N 50,  0, HN 50, 
10224 118.893   0.353   8.253 1 U         -3.070e+02  0.00e+00 m   0  818    0  819 0 #N 50,  0, HN 50, 
10231 129.857   0.919  10.223 1 U         -1.371e+03  0.00e+00 m   0  831    0  836 0 #NE1 50,  0, HE1 50, 
10232 129.857   0.803  10.223 1 U         -1.343e+03  0.00e+00 m   0  831    0  836 0 #NE1 50,  0, HE1 50, 
10247 124.675   0.602   9.595 1 U         -2.622e+03  0.00e+00 m   0  842    0  843 0 #N 51,  0, HN 51, 
10248 124.675   0.359   9.595 1 U         -1.139e+03  0.00e+00 m   0  842    0  843 0 #N 51,  0, HN 51, 
10253 124.675   0.300   9.595 1 U         -1.087e+03  0.00e+00 m   0  842    0  843 0 #N 51,  0, HN 51, 
10266 124.675   0.850   9.595 1 U         -1.349e+03  0.00e+00 m   0  842    0  843 0 #N 51,  0, HN 51, 
10267 124.675   1.294   9.595 1 U         -3.353e+03  0.00e+00 m   0  842    0  843 0 #N 51,  0, HN 51, 
10297 124.675   4.660   9.595 1 U         -1.116e+03  0.00e+00 m   0  842    0  843 0 #N 51,  0, HN 51, 
10298 124.675   5.178   9.595 1 U         -8.420e+02  0.00e+00 m   0  842    0  843 0 #N 51,  0, HN 51, 
10307 124.675   9.393   9.595 1 U         -2.936e+03  0.00e+00 m   0  842    0  843 0 #N 51,  0, HN 51, 
10328 127.524   8.349   9.031 1 U         -5.500e+02  0.00e+00 m   0  863    0  864 0 #N 52,  0, HN 52, 
10329 127.524   9.383   9.031 1 U         -2.440e+02  0.00e+00 m   0  863    0  864 0 #N 52,  0, HN 52, 
10333 127.524   6.932   9.031 1 U         -8.610e+02  0.00e+00 m   0  863    0  864 0 #N 52,  0, HN 52, 
10334 127.524   7.032   9.031 1 U         -8.270e+02  0.00e+00 m   0  863    0  864 0 #N 52,  0, HN 52, 
10342 127.524   1.288   9.031 1 U         -1.965e+03  0.00e+00 m   0  863    0  864 0 #N 52,  0, HN 52, 
10343 127.524   5.199   9.031 1 U         -6.120e+02  0.00e+00 m   0  863    0  864 0 #N 52,  0, HN 52, 
10344 126.220   4.962   7.973 1 U         -4.720e+02  0.00e+00 m   0  880    0  881 0 #N 53,  0, HN 53, 
10352 127.524   3.215   9.031 1 U         -5.690e+02  0.00e+00 m   0  863    0  864 0 #N 52,  0, HN 52, 
10376 119.934   3.010   9.546 1 U         -1.536e+03  0.00e+00 m   0  890    0  891 0 #N 54,  0, HN 54, 
10378 119.934   4.449   9.546 1 U         -7.240e+02  0.00e+00 m   0  890    0  891 0 #N 54,  0, HN 54, 
10391 126.220   6.755   7.973 1 U         -1.389e+03  0.00e+00 m   0  880    0  881 0 #N 53,  0, HN 53, 
10398 116.990   2.995   8.347 1 U         -2.542e+03  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10399 116.990   1.976   8.347 1 U         -1.271e+03  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10400 116.990   1.041   8.347 1 U         -3.800e+03  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10402 116.990   0.762   8.347 1 U         -3.936e+03  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10403 116.990   0.620   8.347 1 U         -2.823e+03  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10417 116.990   3.761   8.347 1 U         -2.363e+03  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10418 115.885   3.769   7.591 1 U         -2.124e+03  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
10419 116.990   5.535   8.347 1 U         -6.840e+02  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10420 116.990   7.977   8.347 1 U         -9.600e+02  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10421 116.990   8.841   8.347 1 U         -4.650e+02  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10422 116.990   9.004   8.347 1 U         -8.840e+02  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
10427 115.885   9.565   7.591 1 U         -9.870e+02  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
10428 115.885   8.836   7.591 1 U         -7.220e+02  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
10446 123.532   9.232   8.981 1 U         -1.249e+03  0.00e+00 m   0  935    0  936 0 #N 57,  0, HN 57, 
10459 123.532   7.301   8.981 1 U         -3.170e+02  0.00e+00 m   0  935    0  936 0 #N 57,  0, HN 57, 
10460 123.532   7.036   8.981 1 U         -8.010e+02  0.00e+00 m   0  935    0  936 0 #N 57,  0, HN 57, 
10461 123.532   5.406   8.981 1 U         -9.610e+02  0.00e+00 m   0  935    0  936 0 #N 57,  0, HN 57, 
10462 123.532   5.088   8.981 1 U         -4.870e+02  0.00e+00 m   0  935    0  936 0 #N 57,  0, HN 57, 
10468 115.885   4.306   7.591 1 U         -2.502e+03  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
10482 115.885   1.250   7.591 1 U         -3.880e+03  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
10487 115.885   1.064   7.591 1 U         -2.181e+03  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
10497 123.532   0.411   8.981 1 U         -1.178e+03  0.00e+00 m   0  935    0  936 0 #N 57,  0, HN 57, 
10527 121.813   9.230   7.931 1 U         -1.241e+03  0.00e+00 m   0  970    0  971 0 #N 59,  0, HN 59, 
10555 121.813   0.367   7.931 1 U         -2.896e+03  0.00e+00 m   0  970    0  971 0 #N 59,  0, HN 59, 
10557 121.919   1.201   7.992 1 U         -5.020e+02  0.00e+00 m   0 1090    0 1091 0 #N 69,  0, HN 69, 
10561 115.904   1.731   8.200 1 U         -7.290e+02  0.00e+00 m   0 1112    0 1113 0 #N 70,  0, HN 70, 
10564 124.063   1.012   8.105 1 U         -6.270e+02  0.00e+00 m   0 1125    0 1126 0 #N 71,  0, HN 71, 
10566 118.953   1.178   9.232 1 U         -1.077e+03  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
10567 118.953   0.995   9.232 1 U         -1.147e+03  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
10568 118.953   0.547   9.232 1 U         -4.700e+02  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
10578 127.607   8.750   9.321 1 U         -4.650e+02  0.00e+00 m   0 1193    0 1194 0 #N 74,  0, HN 74, 
10579 127.607   9.115   9.321 1 U         -4.270e+02  0.00e+00 m   0 1193    0 1194 0 #N 74,  0, HN 74, 
10581 127.607   1.785   9.321 1 U         -4.750e+02  0.00e+00 m   0 1193    0 1194 0 #N 74,  0, HN 74, 
10582 127.607   1.682   9.321 1 U         -5.190e+02  0.00e+00 m   0 1193    0 1194 0 #N 74,  0, HN 74, 
10583 127.607   1.524   9.321 1 U         -8.110e+02  0.00e+00 m   0 1193    0 1194 0 #N 74,  0, HN 74, 
10585 112.920   1.812   6.978 1 U         -9.430e+02  0.00e+00 m   0 1206    0 1207 0 #NE2 74,  0, HE21 74, 
10586 112.920   1.720   6.978 1 U         -8.940e+02  0.00e+00 m   0 1206    0 1207 0 #NE2 74,  0, HE21 74, 
10587 112.920   1.179   6.978 1 U         -2.984e+03  0.00e+00 m   0 1206    0 1207 0 #NE2 74,  0, HE21 74, 
10588 112.920   1.801   7.546 1 U         -1.160e+03  0.00e+00 m   0 1206    0 1208 0 #NE2 74,  0, HE22 74, 
10589 112.920   1.573   7.546 1 U         -4.600e+02  0.00e+00 m   0 1206    0 1208 0 #NE2 74,  0, HE22 74, 
10590 112.920   1.150   7.546 1 U         -2.403e+03  0.00e+00 m   0 1206    0 1208 0 #NE2 74,  0, HE22 74, 
10592 127.607   0.631   9.321 1 U         -9.070e+02  0.00e+00 m   0 1193    0 1194 0 #N 74,  0, HN 74, 
10593 125.323   0.946   8.904 1 U         -1.474e+03  0.00e+00 m   0 1211    0 1212 0 #N 75,  0, HN 75, 
10596 118.632   0.933   8.643 1 U         -4.675e+03  0.00e+00 m   0 1237    0 1238 0 #N 76,  0, HN 76, 
10597 113.749   1.591   7.793 1 U         -7.450e+02  0.00e+00 m   0 1274    0 1276 0 #ND2 78,  0, HD22 78, 
10601 119.693   1.876   8.294 1 U         -3.420e+02  0.00e+00 m   0 1265    0 1266 0 #N 78,  0, HN 78, 
10602 119.693   1.614   8.294 1 U         -5.920e+02  0.00e+00 m   0 1265    0 1266 0 #N 78,  0, HN 78, 
10655 118.802   4.421   8.628 1 U         -3.297e+03  0.00e+00 m   0 1342    0 1343 0 #N 82,  0, HN 82, 
10664 125.993   0.706   9.109 1 U         -1.160e+03  0.00e+00 m   0 1389    0 1390 0 #N 84,  0, HN 84, 
10684 114.993   0.961   9.128 1 U         -7.060e+02  0.00e+00 m   0 1411    0 1412 0 #N 85,  0, HN 85, 
10685 114.993   1.687   9.128 1 U         -3.700e+02  0.00e+00 m   0 1411    0 1412 0 #N 85,  0, HN 85, 
10700 114.993   7.158   9.128 1 U         -6.580e+02  0.00e+00 m   0 1411    0 1412 0 #N 85,  0, HN 85, 
10709 123.730   0.774   8.285 1 U         -9.350e+02  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
10710 123.730   1.166   8.285 1 U         -1.628e+03  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
10717 127.253   0.769   8.440 1 U         -3.382e+03  0.00e+00 m   0 1465    0 1466 0 #N 88,  0, HN 88, 
10726 127.253   3.711   8.440 1 U         -1.371e+03  0.00e+00 m   0 1465    0 1466 0 #N 88,  0, HN 88, 
10727 127.253   3.620   8.440 1 U         -1.917e+03  0.00e+00 m   0 1465    0 1466 0 #N 88,  0, HN 88, 
10744 112.593   1.700   6.864 1 U         -6.080e+02  0.00e+00 m   0 1683    0 1684 0 #NE2 212,  0, HE21 212, 
10745 112.593   1.768   7.555 1 U         -3.000e+02  0.00e+00 m   0 1683    0 1685 0 #NE2 212,  0, HE22 212, 
10746 112.593   1.586   7.555 1 U         -1.285e+03  0.00e+00 m   0 1683    0 1685 0 #NE2 212,  0, HE22 212, 
10747 112.593   0.894   7.555 1 U         -1.167e+03  0.00e+00 m   0 1683    0 1685 0 #NE2 212,  0, HE22 212, 
10748 112.593   1.586   6.864 1 U         -1.301e+03  0.00e+00 m   0 1683    0 1684 0 #NE2 212,  0, HE21 212, 
10756 121.991   1.354   8.117 1 U         -4.230e+02  0.00e+00 m   0 1728    0 1729 0 #N 217,  0, HN 217, 
10781 109.364   1.612   8.420 1 U         -1.210e+03  0.00e+00 m   0 1847    0 1848 0 #N 225,  0, HN 225, 
10782 109.364   1.296   8.420 1 U         -3.454e+03  0.00e+00 m   0 1847 2807 1848 0 #N 225, QG2 280, HN 225, 
10783 109.364   0.913   8.420 1 U         -1.945e+03  0.00e+00 m   0 1847    0 1848 0 #N 225,  0, HN 225, 
10799 123.720   1.951   8.242 1 U         -1.928e+03  0.00e+00 m   0 1854    0 1855 0 #N 226,  0, HN 226, 
10820 122.394   0.981   8.651 1 U         -1.291e+03  0.00e+00 m   0 1892    0 1893 0 #N 228,  0, HN 228, 
10822 119.003   0.862   8.430 1 U         -6.500e+02  0.00e+00 m   0 1994 1306 1995 0 #N 234, QD2 80, HN 234, 
10823 119.003   0.597   8.430 1 U         -9.010e+02  0.00e+00 m   0 1994 1305 1995 0 #N 234, QD1 80, HN 234, 
10835 119.207   3.959   8.012 1 U         -8.410e+02  0.00e+00 m   0 2020    0 2021 0 #N 235,  0, HN 235, 
10838 119.207   0.825   8.012 1 U         -1.443e+03  0.00e+00 m   0 2020    0 2021 0 #N 235,  0, HN 235, 
10846 116.693   1.815   6.786 1 U         -8.100e+02  0.00e+00 m   0 2033    0 2034 0 #NE2 235,  0, HE21 235, 
10847 116.693   1.708   6.786 1 U         -3.680e+02  0.00e+00 m   0 2033    0 2034 0 #NE2 235,  0, HE21 235, 
10848 116.693   0.812   6.786 1 U         -4.328e+03  0.00e+00 m   0 2033    0 2034 0 #NE2 235,  0, HE21 235, 
10849 116.693   1.872   7.890 1 U         -8.640e+02  0.00e+00 m   0 2033    0 2035 0 #NE2 235,  0, HE22 235, 
10850 116.693   0.829   7.890 1 U         -3.080e+03  0.00e+00 m   0 2033    0 2035 0 #NE2 235,  0, HE22 235, 
10863 121.053   7.681   7.885 1 U         -6.570e+02  0.00e+00 m   0 2070    0 2071 0 #N 238,  0, HN 238, 
10864 121.053   8.432   7.885 1 U         -6.110e+02  0.00e+00 m   0 2070    0 2071 0 #N 238,  0, HN 238, 
10865 121.753   2.034   8.752 1 U         -4.500e+02  0.00e+00 m   0 2092    0 2093 0 #N 239,  0, HN 239, 
10868 121.753   7.670   8.752 1 U         -4.300e+02  0.00e+00 m   0 2092    0 2093 0 #N 239,  0, HN 239, 
10875 120.696   7.196   8.457 1 U         -6.000e+01  0.00e+00 m   0 2103    0 2104 0 #N 240,  0, HN 240, 
10876 120.408   9.615   8.478 1 U         -1.048e+03  0.00e+00 m   0  716  586  717 0 #N 43, HN 35, HN 43, 
10888 111.743   4.010   6.561 1 U         -6.980e+02  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
10891 111.743   0.947   7.690 1 U         -2.048e+03  0.00e+00 m   0 2133    0 2135 0 #ND2 241,  0, HD22 241, 
10892 111.743   0.857   7.690 1 U         -1.640e+03  0.00e+00 m   0 2133    0 2135 0 #ND2 241,  0, HD22 241, 
10893 111.743   0.952   6.561 1 U         -2.671e+03  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
10894 111.743   0.841   6.561 1 U         -1.866e+03  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
10898 115.932   8.771   7.641 1 U         -3.350e+02  0.00e+00 m   0 2124    0 2125 0 #N 241,  0, HN 241, 
10899 116.229   5.539   7.610 1 U         -1.139e+03  0.00e+00 m   0 2138    0 2139 0 #N 242,  0, HN 242, 
10900 116.229   8.363   7.610 1 U         -3.880e+03  0.00e+00 m   0 2138    0 2139 0 #N 242,  0, HN 242, 
10901 116.229   4.323   7.610 1 U         -1.291e+03  0.00e+00 m   0 2138    0 2139 0 #N 242,  0, HN 242, 
10913 111.270   0.985   8.977 1 U         -7.300e+02  0.00e+00 m   0 2202    0 2203 0 #N 245,  0, HN 245, 
10915 111.270   2.199   8.977 1 U         -5.210e+02  0.00e+00 m   0 2202 2195 2203 0 #N 245, HG2 244, HN 245, 
10927 111.270   2.042   8.977 1 U         -5.970e+02  0.00e+00 m   0 2202    0 2203 0 #N 245,  0, HN 245, 
10943 116.604   1.781   8.070 1 U         -4.000e+02  0.00e+00 m   0 2224    0 2225 0 #N 247,  0, HN 247, 
10945 116.604   1.004   8.070 1 U         -1.730e+02  0.00e+00 m   0 2224    0 2225 0 #N 247,  0, HN 247, 
10946 116.604   0.827   8.070 1 U         -4.360e+02  0.00e+00 m   0 2224    0 2225 0 #N 247,  0, HN 247, 
10954 120.812   0.907   7.729 1 U         -6.050e+02  0.00e+00 m   0 2278    0 2279 0 #N 250,  0, HN 250, 
10960 120.812   3.055   7.729 1 U         -3.860e+02  0.00e+00 m   0 2278    0 2279 0 #N 250,  0, HN 250, 
10970 119.061   0.550   6.962 1 U         -1.360e+02  0.00e+00 m   0 2304    0 2305 0 #N 251,  0, HN 251, 
10971 119.061  -0.361   6.962 1 U         -2.100e+02  0.00e+00 m   0 2304    0 2305 0 #N 251,  0, HN 251, 
11043 117.245   0.917   7.596 1 U         -2.050e+03  0.00e+00 m   0 2378    0 2379 0 #N 255,  0, HN 255, 
11076 116.201   4.238   8.687 1 U         -3.920e+02  0.00e+00 m   0 2399    0 2400 0 #N 256,  0, HN 256, 
11077 116.201   1.796   8.687 1 U         -9.130e+02  0.00e+00 m   0 2399    0 2400 0 #N 256,  0, HN 256, 
11079 116.201   0.524   8.687 1 U         -6.890e+02  0.00e+00 m   0 2399    0 2400 0 #N 256,  0, HN 256, 
11080 116.201   0.726   8.687 1 U         -1.674e+03  0.00e+00 m   0 2399    0 2400 0 #N 256,  0, HN 256, 
11081 111.193   0.704   6.884 1 U         -1.846e+03  0.00e+00 m   0 2412    0 2413 0 #NE2 256,  0, HE21 256, 
11082 111.193   0.516   6.884 1 U         -1.421e+03  0.00e+00 m   0 2412    0 2413 0 #NE2 256,  0, HE21 256, 
11083 111.193   0.704   7.221 1 U         -2.215e+03  0.00e+00 m   0 2412    0 2414 0 #NE2 256,  0, HE22 256, 
11084 111.193   0.527   7.221 1 U         -1.544e+03  0.00e+00 m   0 2412    0 2414 0 #NE2 256,  0, HE22 256, 
11097 111.753   0.752   8.023 1 U         -1.164e+03  0.00e+00 m   0 2417    0 2418 0 #N 257,  0, HN 257, 
11101 118.578   0.756   7.392 1 U         -7.110e+02  0.00e+00 m   0 2427    0 2428 0 #N 258,  0, HN 258, 
11102 118.370   2.196   7.877 1 U         -1.157e+03  0.00e+00 m   0 2453    0 2454 0 #N 259,  0, HN 259, 
11103 118.370   0.861   7.877 1 U         -7.030e+02  0.00e+00 m   0 2453    0 2454 0 #N 259,  0, HN 259, 
11104 118.370   0.743   7.877 1 U         -1.576e+03  0.00e+00 m   0 2453    0 2454 0 #N 259,  0, HN 259, 
11105 118.370   3.835   7.877 1 U         -9.040e+02  0.00e+00 m   0 2453    0 2454 0 #N 259,  0, HN 259, 
11109 113.310   1.655   8.408 1 U         -8.720e+02  0.00e+00 m   0 2484    0 2485 0 #N 261,  0, HN 261, 
11110 113.310   2.027   8.408 1 U         -1.065e+03  0.00e+00 m   0 2484    0 2485 0 #N 261,  0, HN 261, 
11111 113.310   3.828   8.408 1 U         -6.010e+02  0.00e+00 m   0 2484    0 2485 0 #N 261,  0, HN 261, 
11123 122.736   0.762   8.008 1 U         -1.127e+03  0.00e+00 m   0 2494    0 2495 0 #N 262,  0, HN 262, 
11124 122.736   1.900   8.008 1 U         -2.062e+03  0.00e+00 m   0 2494    0 2495 0 #N 262,  0, HN 262, 
11125 122.736   1.983   8.008 1 U         -1.387e+03  0.00e+00 m   0 2494    0 2495 0 #N 262,  0, HN 262, 
11139 122.291   2.017   8.562 1 U         -4.450e+02  0.00e+00 m   0 2563    0 2564 0 #N 266,  0, HN 266, 
11149 113.293   2.141   7.732 1 U         -7.400e+02  0.00e+00 m   0 2572    0 2573 0 #ND2 266,  0, HD21 266, 
11150 113.293   1.995   7.732 1 U         -1.632e+03  0.00e+00 m   0 2572    0 2573 0 #ND2 266,  0, HD21 266, 
11151 113.293   2.113   7.134 1 U         -7.570e+02  0.00e+00 m   0 2572    0 2574 0 #ND2 266,  0, HD22 266, 
11152 113.293   1.986   7.134 1 U         -1.988e+03  0.00e+00 m   0 2572    0 2574 0 #ND2 266,  0, HD22 266, 
11163 115.403   1.941   8.202 1 U         -3.209e+03  0.00e+00 m   0 2593    0 2594 0 #N 268,  0, HN 268, 
11164 115.403   0.970   8.202 1 U         -4.960e+02  0.00e+00 m   0 2593    0 2594 0 #N 268,  0, HN 268, 
11165 115.403   0.764   8.202 1 U         -1.500e+02  0.00e+00 m   0 2593    0 2594 0 #N 268,  0, HN 268, 
11166 115.403   0.576   8.202 1 U         -6.090e+02  0.00e+00 m   0 2593    0 2594 0 #N 268,  0, HN 268, 
11168 118.796   1.591   7.483 1 U         -6.310e+02  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
11169 118.796   0.742   7.483 1 U         -1.676e+03  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
11170 118.796   0.882   7.483 1 U         -4.630e+02  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
11173 118.796   7.804   7.483 1 U         -1.147e+03  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
11174 118.796   7.148   7.483 1 U         -9.520e+02  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
11180 122.694   0.549   9.087 1 U         -7.900e+02  0.00e+00 m   0 2619    0 2620 0 #N 270,  0, HN 270, 
11186 122.694   1.184   9.087 1 U         -8.200e+02  0.00e+00 m   0 2619    0 2620 0 #N 270,  0, HN 270, 
11190 122.694   8.321   9.087 1 U         -7.060e+02  0.00e+00 m   0 2619    0 2620 0 #N 270,  0, HN 270, 
11191 122.694   7.126   9.087 1 U         -4.720e+02  0.00e+00 m   0 2619    0 2620 0 #N 270,  0, HN 270, 
11209 125.235   7.554   8.975 1 U         -1.454e+03  0.00e+00 m   0 2655    0 2656 0 #N 272,  0, HN 272, 
11210 124.964   7.532   8.959 1 U         -2.076e+03  0.00e+00 m   0  960    0  961 0 #N 58,  0, HN 58, 
11212 125.235   5.098   8.975 1 U         -4.920e+02  0.00e+00 m   0 2655    0 2656 0 #N 272,  0, HN 272, 
11213 125.235   5.255   8.975 1 U         -7.500e+02  0.00e+00 m   0 2655    0 2656 0 #N 272,  0, HN 272, 
11231 125.235   0.912   8.975 1 U         -1.143e+03  0.00e+00 m   0 2655    0 2656 0 #N 272,  0, HN 272, 
11232 125.235   0.751   8.975 1 U         -8.410e+02  0.00e+00 m   0 2655    0 2656 0 #N 272,  0, HN 272, 
11245 122.645   0.553   9.311 1 U         -1.300e+02  0.00e+00 m   0 2687    0 2688 0 #N 274,  0, HN 274, 
11246 122.645   0.865   9.311 1 U         -5.160e+02  0.00e+00 m   0 2687    0 2688 0 #N 274,  0, HN 274, 
11264 114.946   1.573   8.702 1 U         -4.960e+02  0.00e+00 m   0 2710    0 2711 0 #N 275,  0, HN 275, 
11265 114.946   1.091   8.702 1 U         -7.830e+02  0.00e+00 m   0 2710    0 2711 0 #N 275,  0, HN 275, 
11266 114.946   0.900   8.702 1 U         -6.480e+02  0.00e+00 m   0 2710    0 2711 0 #N 275,  0, HN 275, 
11267 114.946   0.605   8.702 1 U         -7.410e+02  0.00e+00 m   0 2710    0 2711 0 #N 275,  0, HN 275, 
11281 106.475   0.561   7.556 1 U         -1.097e+03  0.00e+00 m   0 2725    0 2726 0 #N 276,  0, HN 276, 
11282 114.946   6.722   8.702 1 U         -8.400e+02  0.00e+00 m   0 2710    0 2711 0 #N 275,  0, HN 275, 
11289 121.940   8.708   6.711 1 U         -9.270e+02  0.00e+00 m   0 2738    0 2739 0 #N 277,  0, HN 277, 
11291 106.475   1.845   7.556 1 U         -7.570e+02  0.00e+00 m   0 2725    0 2726 0 #N 276,  0, HN 276, 
11297 121.940   0.977   6.711 1 U         -1.624e+03  0.00e+00 m   0 2738    0 2739 0 #N 277,  0, HN 277, 
11305 121.940   2.210   6.711 1 U         -1.116e+03  0.00e+00 m   0 2738    0 2739 0 #N 277,  0, HN 277, 
11334 121.181   0.996   7.284 1 U         -5.470e+02  0.00e+00 m   0 2814    0 2815 0 #N 281,  0, HN 281, 
11336 121.181   1.838   7.284 1 U         -6.230e+02  0.00e+00 m   0 2814    0 2815 0 #N 281,  0, HN 281, 
11337 121.181   2.055   7.284 1 U         -1.060e+03  0.00e+00 m   0 2814    0 2815 0 #N 281,  0, HN 281, 
11349 120.608   1.613   8.009 1 U         -1.058e+03  0.00e+00 m   0 2827    0 2828 0 #N 282,  0, HN 282, 
11350 120.608   1.808   8.009 1 U         -1.024e+03  0.00e+00 m   0 2827 1904 2828 0 #N 282, QE 228, HN 282, 
11351 115.742   1.596   8.186 1 U         -2.743e+03  0.00e+00 m   0 2849    0 2850 0 #N 283,  0, HN 283, 
11352 115.742   1.826   8.186 1 U         -1.640e+03  0.00e+00 m   0 2849    0 2850 0 #N 283,  0, HN 283, 
11355 115.742   7.517   8.186 1 U         -1.049e+03  0.00e+00 m   0 2849    0 2850 0 #N 283,  0, HN 283, 
11356 122.955   8.416   7.987 1 U         -8.440e+02  0.00e+00 m   0 2875    0 2876 0 #N 284,  0, HN 284, 
11359 120.157   7.622   8.501 1 U         -1.624e+03  0.00e+00 m   0 2890    0 2891 0 #N 285,  0, HN 285, 
11365 120.411   1.050   8.623 1 U         -1.695e+03  0.00e+00 m   0 2912    0 2913 0 #N 286,  0, HN 286, 
11366 120.411   1.840   8.623 1 U         -9.350e+02  0.00e+00 m   0 2912    0 2913 0 #N 286,  0, HN 286, 
11367 120.411   2.088   8.623 1 U         -7.980e+02  0.00e+00 m   0 2912    0 2913 0 #N 286,  0, HN 286, 
11370 120.411   4.205   8.623 1 U         -5.120e+02  0.00e+00 m   0 2912    0 2913 0 #N 286,  0, HN 286, 
11373 118.748   0.781   8.052 1 U         -5.190e+02  0.00e+00 m   0 2927    0 2928 0 #N 287,  0, HN 287, 
11374 118.748   0.903   8.052 1 U         -6.730e+02  0.00e+00 m   0 2927    0 2928 0 #N 287,  0, HN 287, 
11379 118.748   4.179   8.052 1 U         -3.040e+02  0.00e+00 m   0 2927    0 2928 0 #N 287,  0, HN 287, 
11380 118.748   3.936   8.052 1 U         -1.133e+03  0.00e+00 m   0 2927    0 2928 0 #N 287,  0, HN 287, 
11381 118.748   8.231   8.052 1 U         -4.070e+02  0.00e+00 m   0 2927    0 2928 0 #N 287,  0, HN 287, 
11382 120.714   1.069   8.079 1 U         -2.270e+02  0.00e+00 m   0 2953    0 2954 0 #N 288,  0, HN 288, 
11383 120.714   0.913   8.079 1 U         -2.870e+02  0.00e+00 m   0 2953    0 2954 0 #N 288,  0, HN 288, 
11412 118.888   0.782   8.202 1 U         -1.590e+02  0.00e+00 m   0 2994    0 2995 0 #N 290,  0, HN 290, 
11415 114.092   0.928   7.594 1 U         -8.150e+02  0.00e+00 m   0 3019    0 3020 0 #N 291,  0, HN 291, 
11416 114.092   0.790   7.594 1 U         -5.560e+02  0.00e+00 m   0 3019    0 3020 0 #N 291,  0, HN 291, 
11417 119.063   3.880   7.618 1 U         -2.640e+02  0.00e+00 m   0 3039    0 3040 0 #N 293,  0, HN 293, 
11418 119.063   2.106   7.618 1 U         -3.930e+02  0.00e+00 m   0 3039    0 3040 0 #N 293,  0, HN 293, 
11429 119.211   1.814   7.781 1 U         -9.520e+02  0.00e+00 m   0 3061    0 3062 0 #N 294,  0, HN 294, 
11430 119.211   1.904   7.781 1 U         -1.097e+03  0.00e+00 m   0 3061    0 3062 0 #N 294,  0, HN 294, 
11432 112.793   0.871   6.866 1 U         -6.790e+02  0.00e+00 m   0 3074    0 3075 0 #NE2 294,  0, HE21 294, 
11450 128.457   2.370   8.015 1 U         -1.333e+03  0.00e+00 m   0 3104    0 3105 0 #N 296,  0, HN 296, 
11451 128.457   2.103   8.015 1 U         -1.331e+03  0.00e+00 m   0 3104    0 3105 0 #N 296,  0, HN 296, 
11458 125.205   3.002  10.146 1 U         -8.890e+02  0.00e+00 m   0  113    0  114 0 #N 8,  0, HN 8, 
11465 116.112   1.233   8.509 1 U         -6.760e+02  0.00e+00 m   0  103    0  104 0 #N 7,  0, HN 7, 
11472 130.693   6.730   7.512 1 U         -4.460e+02  0.00e+00 m   0  671    0  672 0 #N 40,  0, HN 40, 
11527 122.243   1.059   8.950 1 U         -3.790e+02  0.00e+00 m   0  130    0  131 0 #N 9,  0, HN 9, 
11539 116.769   3.738   9.045 1 U         -3.060e+02  0.00e+00 m   0  166    0  167 0 #N 11,  0, HN 11, 
11545 116.769   0.568   9.045 1 U         -3.510e+02  0.00e+00 m   0  166    0  167 0 #N 11,  0, HN 11, 
11546 116.769   0.417   9.045 1 U         -5.470e+02  0.00e+00 m   0  166    0  167 0 #N 11,  0, HN 11, 
11556 114.760   2.335   8.585 1 U         -6.590e+02  0.00e+00 m   0  184    0  185 0 #N 13,  0, HN 13, 
11557 114.760   0.767   8.585 1 U         -3.820e+02  0.00e+00 m   0  184    0  185 0 #N 13,  0, HN 13, 
11559 117.334   0.599   9.285 1 U         -1.253e+03  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
11560 117.334   0.864   9.285 1 U         -1.798e+03  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
11561 117.334   1.483   9.285 1 U         -8.200e+02  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
11562 117.334   2.292   9.285 1 U         -3.490e+02  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
11563 117.334   3.042   9.285 1 U         -1.380e+02  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
11564 117.334   3.493   9.285 1 U         -3.370e+02  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
11623 121.563  10.217   9.233 1 U         -3.780e+02  0.00e+00 m   0  215    0  216 0 #N 15,  0, HN 15, 
11643 118.448   7.169   9.618 1 U         -1.630e+03  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
11649 118.448   3.177   9.618 1 U         -1.880e+02  0.00e+00 m   0  239    0  240 0 #N 16,  0, HN 16, 
11705 120.020   6.916   8.033 1 U         -1.910e+02  0.00e+00 m   0  396    0  397 0 #N 24,  0, HN 24, 
11733 128.727   4.056  10.178 1 U         -1.039e+03  0.00e+00 m   0 1138 2274 1143 0 #NE1 71, HA1 249, HE1 71, 
11735 129.346   1.699  10.190 1 U         -1.389e+03  0.00e+00 m   0  488    0  493 0 #NE1 28,  0, HE1 28, 
11738 128.727   0.525  10.178 1 U         -1.766e+03  0.00e+00 m   0 1138    0 1143 0 #NE1 71,  0, HE1 71, 
11739 128.727  -0.360  10.178 1 U         -1.005e+03  0.00e+00 m   0 1138    0 1143 0 #NE1 71,  0, HE1 71, 
11743 129.346   6.718  10.190 1 U         -2.261e+03  0.00e+00 m   0  488    0  493 0 #NE1 28,  0, HE1 28, 
11757 129.857   7.426  10.223 1 U         -1.554e+04  0.00e+00 m   0  831  839  836 0 #NE1 50, HZ2 50, HE1 50, 
11761 121.813  10.232   7.931 1 U         -4.640e+02  0.00e+00 m   0  970    0  971 0 #N 59,  0, HN 59, 
11768 129.346   8.381  10.190 1 U         -4.420e+02  0.00e+00 m   0  488    0  493 0 #NE1 28,  0, HE1 28, 
11771 123.334   5.236   9.789 1 U         -9.160e+02  0.00e+00 m   0  499    0  500 0 #N 29,  0, HN 29, 
11772 123.334   5.401   9.789 1 U         -5.870e+02  0.00e+00 m   0  499    0  500 0 #N 29,  0, HN 29, 
11773 123.334   8.811   9.789 1 U         -4.040e+02  0.00e+00 m   0  499    0  500 0 #N 29,  0, HN 29, 
11817 119.358   3.411   9.160 1 U         -2.928e+03  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
11818 119.358   3.624   9.160 1 U         -6.700e+02  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
11819 119.358   2.331   9.160 1 U         -2.606e+03  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
11828 119.358   9.295   9.160 1 U         -3.068e+03  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
11829 119.358   9.624   9.160 1 U         -5.870e+02  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
11837 118.079   2.986   9.199 1 U         -3.036e+03  0.00e+00 m   0  554    0  555 0 #N 33,  0, HN 33, 
11841 118.079   0.438   9.199 1 U         -2.920e+03  0.00e+00 m   0  554    0  555 0 #N 33,  0, HN 33, 
11842 118.079   0.756   9.199 1 U         -1.786e+03  0.00e+00 m   0  554    0  555 0 #N 33,  0, HN 33, 
11843 118.079   0.828   9.199 1 U         -1.871e+03  0.00e+00 m   0  554    0  555 0 #N 33,  0, HN 33, 
11844 118.079   1.097   9.199 1 U         -3.361e+03  0.00e+00 m   0  554    0  555 0 #N 33,  0, HN 33, 
11851 126.110   5.041   9.033 1 U         -1.279e+03  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
11852 126.110   4.543   9.033 1 U         -4.970e+02  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
11869 126.110   4.714   9.033 1 U         -5.210e+02  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
11888 116.951   9.837   7.601 1 U         -1.410e+02  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
11894 116.951   4.697   7.601 1 U         -1.143e+03  0.00e+00 m   0  607    0  608 0 #N 36,  0, HN 36, 
11934 116.828   0.325   9.373 1 U         -1.850e+02  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
11936 120.408   4.553   8.478 1 U         -3.970e+02  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
11973 126.151   9.022   7.986 1 U         -2.400e+03  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
11974 126.220   9.366   7.973 1 U         -2.343e+03  0.00e+00 m   0  880    0  881 0 #N 53,  0, HN 53, 
11975 116.828   3.760   9.373 1 U         -5.030e+02  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
11978 116.828   1.413   9.373 1 U         -1.024e+03  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
11994 120.408   1.982   8.478 1 U         -6.910e+02  0.00e+00 m   0  716    0  717 0 #N 43,  0, HN 43, 
12039 116.112   6.478   8.509 1 U         -3.390e+02  0.00e+00 m   0  103    0  104 0 #N 7,  0, HN 7, 
12040 118.447   6.867   7.723 1 U         -4.670e+02  0.00e+00 m   0   86    0   87 0 #N 6,  0, HN 6, 
12043 122.243   7.811   8.950 1 U         -7.080e+02  0.00e+00 m   0  130    0  131 0 #N 9,  0, HN 9, 
12044 116.769   8.567   9.045 1 U         -2.700e+02  0.00e+00 m   0  166    0  167 0 #N 11,  0, HN 11, 
12046 116.769   2.999   9.045 1 U         -3.500e+02  0.00e+00 m   0  166    0  167 0 #N 11,  0, HN 11, 
12048 117.334   0.785   9.285 1 U         -1.144e+03  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
12049 117.334   1.190   9.285 1 U         -7.060e+02  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
12050 117.334   4.903   9.285 1 U         -2.138e+03  0.00e+00 m   0  197    0  198 0 #N 14,  0, HN 14, 
12058 113.389   2.289   7.639 1 U         -4.760e+02  0.00e+00 m   0  391    0  392 0 #ND2 23,  0, HD21 23, 
12059 113.389   1.975   7.639 1 U         -4.110e+02  0.00e+00 m   0  391    0  392 0 #ND2 23,  0, HD21 23, 
12061 113.389   1.649   7.639 1 U         -3.830e+02  0.00e+00 m   0  391    0  392 0 #ND2 23,  0, HD21 23, 
12062 113.389   1.401   7.639 1 U         -4.200e+02  0.00e+00 m   0  391    0  392 0 #ND2 23,  0, HD21 23, 
12063 113.389   1.942   6.960 1 U         -4.720e+02  0.00e+00 m   0  391    0  393 0 #ND2 23,  0, HD22 23, 
12064 113.389   1.777   6.960 1 U         -7.970e+02  0.00e+00 m   0  391    0  393 0 #ND2 23,  0, HD22 23, 
12065 113.389   1.579   6.960 1 U         -7.530e+02  0.00e+00 m   0  391    0  393 0 #ND2 23,  0, HD22 23, 
12066 113.389   1.430   6.960 1 U         -3.900e+02  0.00e+00 m   0  391    0  393 0 #ND2 23,  0, HD22 23, 
12067 120.020   1.918   8.033 1 U         -7.210e+02  0.00e+00 m   0  396    0  397 0 #N 24,  0, HN 24, 
12068 113.389   2.971   7.639 1 U         -6.970e+02  0.00e+00 m   0  391    0  392 0 #ND2 23,  0, HD21 23, 
12079 121.774   1.144   8.198 1 U         -4.290e+02  0.00e+00 m   0  418    0  419 0 #N 25,  0, HN 25, 
12083 129.346   0.768  10.190 1 U         -3.820e+02  0.00e+00 m   0  488    0  493 0 #NE1 28,  0, HE1 28, 
12087 109.451   0.804   8.113 1 U         -4.550e+02  0.00e+00 m   0  524    0  525 0 #N 30,  0, HN 30, 
12089 119.358   3.880   9.160 1 U         -8.300e+02  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
12090 119.358   3.211   9.160 1 U         -6.610e+02  0.00e+00 m   0  531    0  532 0 #N 32,  0, HN 32, 
12093 126.110   1.531   9.033 1 U         -5.120e+02  0.00e+00 m   0  567    0  568 0 #N 34,  0, HN 34, 
12098 126.220   1.690   7.973 1 U         -5.180e+02  0.00e+00 m   0  880    0  881 0 #N 53,  0, HN 53, 
12099 126.151   1.542   7.986 1 U         -6.880e+02  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
12100 116.828   0.735   9.373 1 U         -9.450e+02  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
12101 116.828   0.858   9.373 1 U         -5.480e+02  0.00e+00 m   0  694    0  695 0 #N 42,  0, HN 42, 
12103 118.625   0.881   9.829 1 U         -1.167e+03  0.00e+00 m   0  741    0  742 0 #N 44,  0, HN 44, 
12104 118.625   1.394   9.829 1 U         -4.630e+02  0.00e+00 m   0  741    0  742 0 #N 44,  0, HN 44, 
12105 120.987   1.313   8.548 1 U         -5.700e+02  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
12106 120.987   0.893   8.548 1 U         -8.590e+02  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
12107 120.987   0.576   8.548 1 U         -6.040e+02  0.00e+00 m   0  759    0  760 0 #N 45,  0, HN 45, 
12108 112.027   0.425   8.291 1 U         -6.400e+02  0.00e+00 m   0  770    0  771 0 #N 46,  0, HN 46, 
12109 112.027   6.606   8.291 1 U         -4.550e+02  0.00e+00 m   0  770    0  771 0 #N 46,  0, HN 46, 
12110 120.119   2.496   7.016 1 U         -5.140e+02  0.00e+00 m   0  777    0  778 0 #N 47,  0, HN 47, 
12111 112.027   5.099   8.291 1 U         -3.360e+02  0.00e+00 m   0  770    0  771 0 #N 46,  0, HN 46, 
12112 120.119   5.091   7.016 1 U         -7.260e+02  0.00e+00 m   0  777    0  778 0 #N 47,  0, HN 47, 
12113 120.119   6.511   7.016 1 U         -4.530e+02  0.00e+00 m   0  777    0  778 0 #N 47,  0, HN 47, 
12114 120.136   1.767   7.312 1 U         -5.180e+02  0.00e+00 m   0  808    0  809 0 #N 49,  0, HN 49, 
12115 120.136   1.499   7.312 1 U         -2.011e+03  0.00e+00 m   0  808    0  809 0 #N 49,  0, HN 49, 
12116 120.136   0.615   7.312 1 U         -1.194e+03  0.00e+00 m   0  808    0  809 0 #N 49,  0, HN 49, 
12117 120.136   3.825   7.312 1 U         -4.640e+02  0.00e+00 m   0  808    0  809 0 #N 49,  0, HN 49, 
12119 129.857   0.375  10.223 1 U         -4.150e+02  0.00e+00 m   0  831    0  836 0 #NE1 50,  0, HE1 50, 
12122 127.524   0.604   9.031 1 U         -7.940e+02  0.00e+00 m   0  863    0  864 0 #N 52,  0, HN 52, 
12123 127.524   0.873   9.031 1 U         -5.940e+02  0.00e+00 m   0  863    0  864 0 #N 52,  0, HN 52, 
12124 119.934   7.726   9.546 1 U         -1.195e+03  0.00e+00 m   0  890    0  891 0 #N 54,  0, HN 54, 
12125 119.934   7.579   9.546 1 U         -8.260e+02  0.00e+00 m   0  890    0  891 0 #N 54,  0, HN 54, 
12126 119.934   6.948   9.546 1 U         -4.710e+02  0.00e+00 m   0  890    0  891 0 #N 54,  0, HN 54, 
12127 116.990   7.738   8.347 1 U         -6.690e+02  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
12128 126.220   7.546   7.973 1 U         -5.391e+03  0.00e+00 m   0  880    0  881 0 #N 53,  0, HN 53, 
12129 126.151   7.021   7.986 1 U         -9.180e+02  0.00e+00 m   0  684    0  685 0 #N 41,  0, HN 41, 
12131 119.934   1.040   9.546 1 U         -4.500e+02  0.00e+00 m   0  890    0  891 0 #N 54,  0, HN 54, 
12132 119.934   0.775   9.546 1 U         -4.990e+02  0.00e+00 m   0  890    0  891 0 #N 54,  0, HN 54, 
12133 119.934   0.555   9.546 1 U         -4.290e+02  0.00e+00 m   0  890    0  891 0 #N 54,  0, HN 54, 
12134 116.990   0.547   8.347 1 U         -1.239e+03  0.00e+00 m   0  900    0  901 0 #N 55,  0, HN 55, 
12135 115.885   1.731   7.591 1 U         -5.230e+02  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
12137 115.885   0.403   7.591 1 U         -9.410e+02  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
12138 115.885   2.890   7.591 1 U         -3.422e+03  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
12139 115.885   4.405   7.591 1 U         -1.837e+03  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
12140 115.885   7.025   7.591 1 U         -9.280e+02  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
12141 115.885   7.111   7.591 1 U         -9.370e+02  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
12143 115.885   0.909   7.591 1 U         -3.732e+03  0.00e+00 m   0  917    0  918 0 #N 56,  0, HN 56, 
12144 123.532   1.032   8.981 1 U         -6.900e+02  0.00e+00 m   0  935    0  936 0 #N 57,  0, HN 57, 
12145 121.813   0.595   7.931 1 U         -5.450e+02  0.00e+00 m   0  970    0  971 0 #N 59,  0, HN 59, 
12146 121.813   0.819   7.931 1 U         -1.218e+03  0.00e+00 m   0  970    0  971 0 #N 59,  0, HN 59, 
12147 121.813   1.352   7.931 1 U         -8.310e+02  0.00e+00 m   0  970    0  971 0 #N 59,  0, HN 59, 
12148 121.813   2.154   7.931 1 U         -8.990e+02  0.00e+00 m   0  970    0  971 0 #N 59,  0, HN 59, 
12151 121.813   5.099   7.931 1 U         -2.775e+03  0.00e+00 m   0  970    0  971 0 #N 59,  0, HN 59, 
12154 108.630   1.743   8.526 1 U         -8.430e+02  0.00e+00 m   0 1007    0 1008 0 #N 62,  0, HN 62, 
12156 108.700   8.531   8.142 1 U         -1.361e+03  0.00e+00 m   0 1014    0 1015 0 #N 63,  0, HN 63, 
12157 108.700   8.689   8.142 1 U         -5.240e+02  0.00e+00 m   0 1014    0 1015 0 #N 63,  0, HN 63, 
12158 109.030   3.607   8.230 1 U         -1.079e+03  0.00e+00 m   0 1021    0 1022 0 #N 64,  0, HN 64, 
12159 109.030   3.452   8.230 1 U         -1.016e+03  0.00e+00 m   0 1021    0 1022 0 #N 64,  0, HN 64, 
12160 108.700   4.323   8.142 1 U         -8.040e+02  0.00e+00 m   0 1014    0 1015 0 #N 63,  0, HN 63, 
12161 108.630   3.529   8.526 1 U         -9.310e+02  0.00e+00 m   0 1007    0 1008 0 #N 62,  0, HN 62, 
12162 108.630   3.659   8.526 1 U         -4.110e+02  0.00e+00 m   0 1007    0 1008 0 #N 62,  0, HN 62, 
12163 108.630   2.509   8.526 1 U         -5.240e+02  0.00e+00 m   0 1007    0 1008 0 #N 62,  0, HN 62, 
12165 121.919   1.022   7.992 1 U         -1.979e+03  0.00e+00 m   0 1090    0 1091 0 #N 69,  0, HN 69, 
12166 121.919   3.892   7.992 1 U         -4.760e+02  0.00e+00 m   0 1090    0 1091 0 #N 69,  0, HN 69, 
12167 121.919   3.155   7.992 1 U         -5.360e+02  0.00e+00 m   0 1090    0 1091 0 #N 69,  0, HN 69, 
12168 121.919   2.499   7.992 1 U         -4.530e+02  0.00e+00 m   0 1090    0 1091 0 #N 69,  0, HN 69, 
12169 115.742   8.491   8.186 1 U         -4.470e+02  0.00e+00 m   0 2849    0 2850 0 #N 283,  0, HN 283, 
12171 115.904   0.559   8.200 1 U         -8.040e+02  0.00e+00 m   0 1112    0 1113 0 #N 70,  0, HN 70, 
12173 124.063   0.559   8.105 1 U         -5.780e+02  0.00e+00 m   0 1125    0 1126 0 #N 71,  0, HN 71, 
12175 124.063   2.139   8.105 1 U         -3.820e+02  0.00e+00 m   0 1125    0 1126 0 #N 71,  0, HN 71, 
12176 124.063   7.876   8.105 1 U         -6.600e+02  0.00e+00 m   0 1125    0 1126 0 #N 71,  0, HN 71, 
12179 128.727   2.109  10.178 1 U         -4.840e+02  0.00e+00 m   0 1138    0 1143 0 #NE1 71,  0, HE1 71, 
12180 128.727   1.547  10.178 1 U         -5.480e+02  0.00e+00 m   0 1138    0 1143 0 #NE1 71,  0, HE1 71, 
12182 128.727   0.797  10.178 1 U         -8.220e+02  0.00e+00 m   0 1138    0 1143 0 #NE1 71,  0, HE1 71, 
12183 128.727   0.992  10.178 1 U         -3.900e+02  0.00e+00 m   0 1138    0 1143 0 #NE1 71,  0, HE1 71, 
12186 118.953   0.661   9.232 1 U         -5.460e+02  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
12187 118.953   2.123   9.232 1 U         -5.670e+02  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
12188 118.953   3.192   9.232 1 U         -6.750e+02  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
12189 118.953   4.254   9.232 1 U         -4.180e+02  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
12190 118.953   9.129   9.232 1 U         -1.441e+03  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
12191 118.953   8.832   9.232 1 U         -8.090e+02  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
12192 118.953   8.303   9.232 1 U         -6.460e+02  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
12194 118.953   8.111   9.232 1 U         -4.750e+02  0.00e+00 m   0 1149    0 1150 0 #N 72,  0, HN 72, 
12196 122.126   0.851   8.829 1 U         -1.096e+03  0.00e+00 m   0 1175    0 1176 0 #N 73,  0, HN 73, 
12197 122.126   0.652   8.829 1 U         -8.230e+02  0.00e+00 m   0 1175    0 1176 0 #N 73,  0, HN 73, 
12198 122.126   1.149   8.829 1 U         -5.970e+02  0.00e+00 m   0 1175    0 1176 0 #N 73,  0, HN 73, 
12199 122.126   1.963   8.829 1 U         -5.470e+02  0.00e+00 m   0 1175    0 1176 0 #N 73,  0, HN 73, 
12203 127.607   8.905   9.321 1 U         -3.580e+02  0.00e+00 m   0 1193    0 1194 0 #N 74,  0, HN 74, 
12205 127.607   5.549   9.321 1 U         -4.530e+02  0.00e+00 m   0 1193 1392 1194 0 #N 74, HA 84, HN 74, 
12206 112.920   1.537   6.978 1 U         -6.480e+02  0.00e+00 m   0 1206    0 1207 0 #NE2 74,  0, HE21 74, 
12207 112.920   1.724   7.546 1 U         -1.217e+03  0.00e+00 m   0 1206    0 1208 0 #NE2 74,  0, HE22 74, 
12209 112.920   3.152   6.978 1 U         -1.534e+03  0.00e+00 m   0 1206    0 1207 0 #NE2 74,  0, HE21 74, 
12210 112.920   3.180   7.546 1 U         -1.271e+03  0.00e+00 m   0 1206    0 1208 0 #NE2 74,  0, HE22 74, 
12211 112.920   4.109   7.546 1 U         -6.450e+02  0.00e+00 m   0 1206    0 1208 0 #NE2 74,  0, HE22 74, 
12212 112.920   4.137   6.978 1 U         -4.800e+02  0.00e+00 m   0 1206    0 1207 0 #NE2 74,  0, HE21 74, 
12214 125.323   9.293   8.904 1 U         -3.660e+02  0.00e+00 m   0 1211    0 1212 0 #N 75,  0, HN 75, 
12215 125.323   7.550   8.904 1 U         -3.460e+02  0.00e+00 m   0 1211    0 1212 0 #N 75,  0, HN 75, 
12216 125.323   6.919   8.904 1 U         -4.060e+02  0.00e+00 m   0 1211    0 1212 0 #N 75,  0, HN 75, 
12217 125.323   3.217   8.904 1 U         -9.430e+02  0.00e+00 m   0 1211    0 1212 0 #N 75,  0, HN 75, 
12220 118.632   8.930   8.643 1 U         -1.150e+03  0.00e+00 m   0 1237    0 1238 0 #N 76,  0, HN 76, 
12222 118.802   8.987   8.628 1 U         -8.590e+02  0.00e+00 m   0 1342    0 1343 0 #N 82,  0, HN 82, 
12223 118.802   9.324   8.628 1 U         -6.350e+02  0.00e+00 m   0 1342    0 1343 0 #N 82,  0, HN 82, 
12224 118.802   7.016   8.628 1 U         -4.060e+02  0.00e+00 m   0 1342    0 1343 0 #N 82,  0, HN 82, 
12226 113.749   1.605   7.492 1 U         -7.550e+02  0.00e+00 m   0 1274    0 1275 0 #ND2 78,  0, HD21 78, 
12227 113.749   1.254   7.492 1 U         -4.010e+02  0.00e+00 m   0 1274    0 1275 0 #ND2 78,  0, HD21 78, 
12228 113.749   1.788   7.492 1 U         -5.400e+01  0.00e+00 m   0 1274    0 1275 0 #ND2 78,  0, HD21 78, 
12229 115.336   2.837   8.128 1 U         -8.000e+02  0.00e+00 m   0 1295    0 1296 0 #N 80,  0, HN 80, 
12230 115.336   5.099   8.128 1 U         -1.008e+03  0.00e+00 m   0 1295    0 1296 0 #N 80,  0, HN 80, 
12231 115.336   5.547   8.128 1 U         -5.570e+02  0.00e+00 m   0 1295    0 1296 0 #N 80,  0, HN 80, 
12232 115.336   7.500   8.128 1 U         -8.640e+02  0.00e+00 m   0 1295    0 1296 0 #N 80,  0, HN 80, 
12233 115.336   7.171   8.128 1 U         -2.820e+02  0.00e+00 m   0 1295 2695 1296 0 #N 80, QD 274, HN 80, 
12244 119.997   9.337   7.705 1 U         -4.630e+02  0.00e+00 m   0 1317    0 1318 0 #N 81,  0, HN 81, 
12251 119.997   2.123   7.705 1 U         -6.580e+02  0.00e+00 m   0 1317    0 1318 0 #N 81,  0, HN 81, 
12252 119.997   2.404   7.705 1 U         -5.780e+02  0.00e+00 m   0 1317    0 1318 0 #N 81,  0, HN 81, 
12253 119.997   2.981   7.705 1 U         -5.950e+02  0.00e+00 m   0 1317    0 1318 0 #N 81,  0, HN 81, 
12254 119.997   3.974   7.705 1 U         -5.970e+02  0.00e+00 m   0 1317    0 1318 0 #N 81,  0, HN 81, 
12260 119.997   5.219   7.705 1 U         -3.060e+02  0.00e+00 m   0 1317    0 1318 0 #N 81,  0, HN 81, 
12261 119.997   7.506   7.705 1 U         -7.560e+02  0.00e+00 m   0 1317    0 1318 0 #N 81,  0, HN 81, 
12276 122.168   9.330   8.741 1 U         -7.120e+02  0.00e+00 m   0 1363    0 1364 0 #N 83,  0, HN 83, 
12286 118.802   5.236   8.628 1 U         -9.840e+02  0.00e+00 m   0 1342    0 1343 0 #N 82,  0, HN 82, 
12293 118.802   0.499   8.628 1 U         -3.730e+02  0.00e+00 m   0 1342 2670 1343 0 #N 82, QD1 272, HN 82, 
12304 122.168   1.966   8.741 1 U         -9.540e+02  0.00e+00 m   0 1363    0 1364 0 #N 83,  0, HN 83, 
12305 122.168   2.115   8.741 1 U         -9.570e+02  0.00e+00 m   0 1363    0 1364 0 #N 83,  0, HN 83, 
12306 122.168   2.342   8.741 1 U         -5.410e+02  0.00e+00 m   0 1363    0 1364 0 #N 83,  0, HN 83, 
12323 122.168   4.391   8.741 1 U         -7.920e+02  0.00e+00 m   0 1363    0 1364 0 #N 83,  0, HN 83, 
12327 122.168   7.879   8.741 1 U         -9.710e+02  0.00e+00 m   0 1363    0 1364 0 #N 83,  0, HN 83, 
12328 125.993   8.982   9.109 1 U         -7.330e+02  0.00e+00 m   0 1389    0 1390 0 #N 84,  0, HN 84, 
12341 125.993   4.573   9.109 1 U         -5.240e+02  0.00e+00 m   0 1389    0 1390 0 #N 84,  0, HN 84, 
12350 125.993   1.962   9.109 1 U         -6.260e+02  0.00e+00 m   0 1389    0 1390 0 #N 84,  0, HN 84, 
12358 125.993   1.001   9.109 1 U         -5.040e+02  0.00e+00 m   0 1389    0 1390 0 #N 84,  0, HN 84, 
12359 114.993   1.801   9.128 1 U         -6.170e+02  0.00e+00 m   0 1411    0 1412 0 #N 85,  0, HN 85, 
12360 125.379   1.987   8.319 1 U         -8.160e+02  0.00e+00 m   0 1424    0 1425 0 #N 86,  0, HN 86, 
12361 125.379   2.120   8.319 1 U         -7.920e+02  0.00e+00 m   0 1424    0 1425 0 #N 86,  0, HN 86, 
12366 114.993   3.155   9.128 1 U         -3.930e+02  0.00e+00 m   0 1411    0 1412 0 #N 85,  0, HN 85, 
12367 114.993   2.132   9.128 1 U         -3.070e+02  0.00e+00 m   0 1411    0 1412 0 #N 85,  0, HN 85, 
12368 114.993   4.650   9.128 1 U         -4.080e+02  0.00e+00 m   0 1411 1178 1412 0 #N 85, HA 73, HN 85, 
12378 114.993   9.246   9.128 1 U         -9.340e+02  0.00e+00 m   0 1411    0 1412 0 #N 85,  0, HN 85, 
12381 125.379   9.217   8.319 1 U         -3.440e+02  0.00e+00 m   0 1424    0 1425 0 #N 86,  0, HN 86, 
12384 125.379   6.707   8.319 1 U         -4.220e+02  0.00e+00 m   0 1424    0 1425 0 #N 86,  0, HN 86, 
12397 123.730   0.936   8.285 1 U         -1.837e+03  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
12398 123.730   1.332   8.285 1 U         -1.131e+03  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
12399 123.730   1.587   8.285 1 U         -2.457e+03  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
12405 123.730   4.949   8.285 1 U         -1.119e+03  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
12406 123.730   5.463   8.285 1 U         -5.080e+02  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
12408 123.730   7.193   8.285 1 U         -4.250e+02  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
12409 123.730   9.133   8.285 1 U         -5.230e+02  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
12410 123.730   9.242   8.285 1 U         -9.300e+02  0.00e+00 m   0 1450    0 1451 0 #N 87,  0, HN 87, 
12412 127.253   8.703   8.440 1 U         -4.240e+02  0.00e+00 m   0 1465    0 1466 0 #N 88,  0, HN 88, 
12418 127.253   1.160   8.440 1 U         -8.060e+02  0.00e+00 m   0 1465    0 1466 0 #N 88,  0, HN 88, 
12419 127.253   1.573   8.440 1 U         -7.330e+02  0.00e+00 m   0 1465    0 1466 0 #N 88,  0, HN 88, 
12425 109.973   4.249   8.389 1 U         -4.070e+02  0.00e+00 m   0 1638    0 1639 0 #N 210,  0, HN 210, 
12426 121.114   7.888   8.217 1 U         -8.270e+02  0.00e+00 m   0 1645    0 1646 0 #N 211,  0, HN 211, 
12427 121.114   3.182   8.217 1 U         -6.050e+02  0.00e+00 m   0 1645    0 1646 0 #N 211,  0, HN 211, 
12428 121.114   1.432   8.217 1 U         -7.640e+02  0.00e+00 m   0 1645    0 1646 0 #N 211,  0, HN 211, 
12429 121.114   1.966   8.217 1 U         -1.857e+03  0.00e+00 m   0 1645    0 1646 0 #N 211,  0, HN 211, 
12430 121.704   1.428   8.454 1 U         -4.310e+02  0.00e+00 m   0 1670    0 1671 0 #N 212,  0, HN 212, 
12431 121.704   1.007   8.454 1 U         -1.800e+03  0.00e+00 m   0 1670    0 1671 0 #N 212,  0, HN 212, 
12432 121.704   0.879   8.454 1 U         -6.810e+02  0.00e+00 m   0 1670    0 1671 0 #N 212,  0, HN 212, 
12433 121.704   0.510   8.454 1 U         -6.040e+02  0.00e+00 m   0 1670    0 1671 0 #N 212,  0, HN 212, 
12457 121.991   6.753   8.117 1 U         -6.200e+02  0.00e+00 m   0 1728    0 1729 0 #N 217,  0, HN 217, 
12462 122.317   2.058   8.293 1 U         -7.940e+02  0.00e+00 m   0 1751    0 1752 0 #N 218,  0, HN 218, 
12464 122.317   3.783   8.293 1 U         -1.200e+03  0.00e+00 m   0 1751    0 1752 0 #N 218,  0, HN 218, 
12468 122.317   6.796   8.293 1 U         -6.280e+02  0.00e+00 m   0 1751    0 1752 0 #N 218,  0, HN 218, 
12469 122.317   6.941   8.293 1 U         -6.210e+02  0.00e+00 m   0 1751    0 1752 0 #N 218,  0, HN 218, 
12472 116.367   7.073   8.178 1 U         -8.570e+02  0.00e+00 m   0 1762    0 1763 0 #N 219,  0, HN 219, 
12473 116.367   6.772   8.178 1 U         -3.200e+02  0.00e+00 m   0 1762    0 1763 0 #N 219,  0, HN 219, 
12474 116.367   4.252   8.178 1 U         -1.871e+03  0.00e+00 m   0 1762    0 1763 0 #N 219,  0, HN 219, 
12475 116.367   4.092   8.178 1 U         -1.409e+03  0.00e+00 m   0 1762    0 1763 0 #N 219,  0, HN 219, 
12480 116.367   3.061   8.178 1 U         -7.090e+02  0.00e+00 m   0 1762    0 1763 0 #N 219,  0, HN 219, 
12481 116.367   2.266   8.178 1 U         -1.056e+03  0.00e+00 m   0 1762    0 1763 0 #N 219,  0, HN 219, 
12482 116.367   1.917   8.178 1 U         -7.180e+02  0.00e+00 m   0 1762    0 1763 0 #N 219,  0, HN 219, 
12489 121.263   7.892   8.319 1 U         -4.570e+02  0.00e+00 m   0 1787    0 1788 0 #N 221,  0, HN 221, 
12490 121.263   4.080   8.319 1 U         -6.790e+02  0.00e+00 m   0 1787    0 1788 0 #N 221,  0, HN 221, 
12491 121.263   3.919   8.319 1 U         -1.852e+03  0.00e+00 m   0 1787    0 1788 0 #N 221,  0, HN 221, 
12492 121.263   3.819   8.319 1 U         -1.369e+03  0.00e+00 m   0 1787    0 1788 0 #N 221,  0, HN 221, 
12496 122.698   1.652   8.493 1 U         -7.140e+02  0.00e+00 m   0 1802    0 1803 0 #N 222,  0, HN 222, 
12497 122.698   1.311   8.493 1 U         -9.700e+02  0.00e+00 m   0 1802    0 1803 0 #N 222,  0, HN 222, 
12498 122.698   0.918   8.493 1 U         -1.443e+03  0.00e+00 m   0 1802    0 1803 0 #N 222,  0, HN 222, 
12499 122.477   1.307   8.405 1 U         -5.460e+02  0.00e+00 m   0 1817    0 1818 0 #N 223,  0, HN 223, 
12500 122.477   0.938   8.405 1 U         -1.016e+03  0.00e+00 m   0 1817    0 1818 0 #N 223,  0, HN 223, 
12506 122.698   2.551   8.493 1 U         -6.490e+02  0.00e+00 m   0 1802    0 1803 0 #N 222,  0, HN 222, 
12507 122.084   0.923   8.374 1 U         -5.670e+02  0.00e+00 m   0 1832    0 1833 0 #N 224,  0, HN 224, 
12508 109.364   1.545   8.420 1 U         -1.239e+03  0.00e+00 m   0 1847    0 1848 0 #N 225,  0, HN 225, 
12509 109.364   1.689   8.420 1 U         -7.560e+02  0.00e+00 m   0 1847    0 1848 0 #N 225,  0, HN 225, 
12511 122.084   3.860   8.374 1 U         -5.900e+02  0.00e+00 m   0 1832    0 1833 0 #N 224,  0, HN 224, 
12512 122.084   4.389   8.374 1 U         -1.175e+03  0.00e+00 m   0 1832    0 1833 0 #N 224,  0, HN 224, 
12513 122.084   4.606   8.374 1 U         -1.365e+03  0.00e+00 m   0 1832    0 1833 0 #N 224,  0, HN 224, 
12515 109.364   7.917   8.420 1 U         -4.250e+02  0.00e+00 m   0 1847    0 1848 0 #N 225,  0, HN 225, 
12520 123.720   7.467   8.242 1 U         -4.540e+02  0.00e+00 m   0 1854    0 1855 0 #N 226,  0, HN 226, 
12523 123.720   4.253   8.242 1 U         -3.157e+03  0.00e+00 m   0 1854    0 1855 0 #N 226,  0, HN 226, 
12531 123.720   2.251   8.242 1 U         -5.800e+02  0.00e+00 m   0 1854    0 1855 0 #N 226,  0, HN 226, 
12532 123.720   1.830   8.242 1 U         -1.144e+03  0.00e+00 m   0 1854    0 1855 0 #N 226,  0, HN 226, 
12533 123.720   1.304   8.242 1 U         -5.900e+02  0.00e+00 m   0 1854    0 1855 0 #N 226,  0, HN 226, 
12534 123.720   2.118   8.242 1 U         -9.330e+02  0.00e+00 m   0 1854    0 1855 0 #N 226,  0, HN 226, 
12535 123.720   3.122   8.242 1 U         -3.640e+02  0.00e+00 m   0 1854    0 1855 0 #N 226,  0, HN 226, 
12560 122.394   1.552   8.651 1 U         -7.000e+02  0.00e+00 m   0 1892    0 1893 0 #N 228,  0, HN 228, 
12561 122.394   2.595   8.651 1 U         -5.710e+02  0.00e+00 m   0 1892    0 1893 0 #N 228,  0, HN 228, 
12562 120.008   1.993   9.216 1 U         -5.070e+02  0.00e+00 m   0 1910    0 1911 0 #N 229,  0, HN 229, 
12563 120.008   1.797   9.216 1 U         -4.980e+02  0.00e+00 m   0 1910    0 1911 0 #N 229,  0, HN 229, 
12582 122.394   7.851   8.651 1 U         -3.100e+02  0.00e+00 m   0 1892    0 1893 0 #N 228,  0, HN 228, 
12590 120.008   8.121   9.216 1 U         -3.360e+02  0.00e+00 m   0 1910    0 1911 0 #N 229,  0, HN 229, 
12591 120.008   7.768   9.216 1 U         -3.530e+02  0.00e+00 m   0 1910    0 1911 0 #N 229,  0, HN 229, 
12594 120.008   4.064   9.216 1 U         -5.980e+02  0.00e+00 m   0 1910    0 1911 0 #N 229,  0, HN 229, 
12615 116.981   4.533   8.481 1 U         -1.437e+03  0.00e+00 m   0 1943    0 1944 0 #N 231,  0, HN 231, 
12618 120.477   1.781   7.803 1 U         -8.450e+02  0.00e+00 m   0 1954    0 1955 0 #N 232,  0, HN 232, 
12619 121.501   1.022   8.095 1 U         -2.650e+03  0.00e+00 m   0 1969    0 1970 0 #N 233,  0, HN 233, 
12620 119.003   7.847   8.430 1 U         -4.450e+02  0.00e+00 m   0 1994    0 1995 0 #N 234,  0, HN 234, 
12622 119.003   3.093   8.430 1 U         -3.920e+02  0.00e+00 m   0 1994    0 1995 0 #N 234,  0, HN 234, 
12623 119.003   4.008   8.430 1 U         -3.240e+02  0.00e+00 m   0 1994    0 1995 0 #N 234,  0, HN 234, 
12624 119.003   4.216   8.430 1 U         -2.890e+02  0.00e+00 m   0 1994    0 1995 0 #N 234,  0, HN 234, 
12628 119.207   1.463   8.012 1 U         -7.950e+02  0.00e+00 m   0 2020    0 2021 0 #N 235,  0, HN 235, 
12629 119.207   1.840   8.012 1 U         -9.210e+02  0.00e+00 m   0 2020    0 2021 0 #N 235,  0, HN 235, 
12630 116.693   1.467   6.786 1 U         -7.700e+02  0.00e+00 m   0 2033    0 2034 0 #NE2 235,  0, HE21 235, 
12631 116.693   1.475   7.890 1 U         -6.370e+02  0.00e+00 m   0 2033    0 2035 0 #NE2 235,  0, HE22 235, 
12633 116.693   3.983   6.786 1 U         -2.740e+02  0.00e+00 m   0 2033    0 2034 0 #NE2 235,  0, HE21 235, 
12634 116.693   4.256   6.786 1 U         -4.330e+02  0.00e+00 m   0 2033    0 2034 0 #NE2 235,  0, HE21 235, 
12635 116.693   4.528   6.786 1 U         -4.350e+02  0.00e+00 m   0 2033    0 2034 0 #NE2 235,  0, HE21 235, 
12637 120.376   3.951   7.665 1 U         -4.440e+02  0.00e+00 m   0 2038    0 2039 0 #N 236,  0, HN 236, 
12638 119.207   7.482   8.012 1 U         -3.380e+02  0.00e+00 m   0 2020    0 2021 0 #N 235,  0, HN 235, 
12641 116.693   8.757   6.786 1 U         -6.810e+02  0.00e+00 m   0 2033    0 2034 0 #NE2 235,  0, HE21 235, 
12643 116.693   8.782   7.890 1 U         -4.110e+02  0.00e+00 m   0 2033    0 2035 0 #NE2 235,  0, HE22 235, 
12644 120.376   8.144   7.665 1 U         -8.250e+02  0.00e+00 m   0 2038    0 2039 0 #N 236,  0, HN 236, 
12645 120.376   8.457   7.665 1 U         -5.120e+02  0.00e+00 m   0 2038    0 2039 0 #N 236,  0, HN 236, 
12670 121.753   7.526   8.752 1 U         -7.300e+02  0.00e+00 m   0 2092    0 2093 0 #N 239,  0, HN 239, 
12672 120.696   7.863   8.457 1 U         -9.540e+02  0.00e+00 m   0 2103    0 2104 0 #N 240,  0, HN 240, 
12674 120.696   6.719   8.457 1 U         -3.620e+02  0.00e+00 m   0 2103    0 2104 0 #N 240,  0, HN 240, 
12676 120.696   4.460   8.457 1 U         -1.604e+03  0.00e+00 m   0 2103    0 2104 0 #N 240,  0, HN 240, 
12677 120.696   4.151   8.457 1 U         -7.860e+02  0.00e+00 m   0 2103    0 2104 0 #N 240,  0, HN 240, 
12678 121.753   4.260   8.752 1 U         -5.180e+02  0.00e+00 m   0 2092    0 2093 0 #N 239,  0, HN 239, 
12679 121.753   3.742   8.752 1 U         -4.300e+02  0.00e+00 m   0 2092    0 2093 0 #N 239,  0, HN 239, 
12680 120.696   2.911   8.457 1 U         -8.770e+02  0.00e+00 m   0 2103    0 2104 0 #N 240,  0, HN 240, 
12681 121.753   0.929   8.752 1 U         -3.153e+03  0.00e+00 m   0 2092    0 2093 0 #N 239,  0, HN 239, 
12682 120.696   0.781   8.457 1 U         -2.908e+03  0.00e+00 m   0 2103    0 2104 0 #N 240,  0, HN 240, 
12683 120.696   0.568   8.457 1 U         -9.170e+02  0.00e+00 m   0 2103    0 2104 0 #N 240,  0, HN 240, 
12704 111.743   8.468   6.561 1 U         -4.680e+02  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
12705 111.743   8.729   6.561 1 U         -3.250e+02  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
12707 111.743   7.565   6.561 1 U         -1.809e+03  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
12708 111.743   6.911   6.561 1 U         -8.270e+02  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
12710 111.743   3.208   6.561 1 U         -4.070e+02  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
12711 111.743   2.040   6.561 1 U         -3.350e+02  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
12712 111.743   1.888   6.561 1 U         -3.320e+02  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
12713 111.743   1.775   6.561 1 U         -3.810e+02  0.00e+00 m   0 2133    0 2134 0 #ND2 241,  0, HD21 241, 
12719 111.270   1.169   8.977 1 U         -7.550e+02  0.00e+00 m   0 2202    0 2203 0 #N 245,  0, HN 245, 
12726 119.458   1.995   9.578 1 U         -6.020e+02  0.00e+00 m   0 2209    0 2210 0 #N 246,  0, HN 246, 
12732 119.458   8.117   9.578 1 U         -4.740e+02  0.00e+00 m   0 2209    0 2210 0 #N 246,  0, HN 246, 
12733 119.458   7.884   9.578 1 U         -3.330e+02  0.00e+00 m   0 2209    0 2210 0 #N 246,  0, HN 246, 
12736 120.351   4.478   7.871 1 U         -5.510e+02  0.00e+00 m   0 2249    0 2250 0 #N 248,  0, HN 248, 
12738 120.812   6.805   7.729 1 U         -6.480e+02  0.00e+00 m   0 2278    0 2279 0 #N 250,  0, HN 250, 
12742 117.756   0.733   7.618 1 U         -1.311e+03  0.00e+00 m   0 2340    0 2341 0 #N 253,  0, HN 253, 
12743 117.756   0.902   7.618 1 U         -5.280e+02  0.00e+00 m   0 2340    0 2341 0 #N 253,  0, HN 253, 
12766 121.653   8.762   8.489 1 U         -3.830e+02  0.00e+00 m   0 2357    0 2358 0 #N 254,  0, HN 254, 
12768 117.245   9.039   7.596 1 U         -3.580e+02  0.00e+00 m   0 2378    0 2379 0 #N 255,  0, HN 255, 
12769 117.245   8.734   7.596 1 U         -1.043e+03  0.00e+00 m   0 2378    0 2379 0 #N 255,  0, HN 255, 
12782 111.193   1.712   6.884 1 U         -5.770e+02  0.00e+00 m   0 2412    0 2413 0 #NE2 256,  0, HE21 256, 
12783 111.193   1.668   7.221 1 U         -5.650e+02  0.00e+00 m   0 2412    0 2414 0 #NE2 256,  0, HE22 256, 
12785 111.193   4.228   7.221 1 U         -2.670e+02  0.00e+00 m   0 2412    0 2414 0 #NE2 256,  0, HE22 256, 
12787 111.193   6.539   6.884 1 U         -5.950e+02  0.00e+00 m   0 2412    0 2413 0 #NE2 256,  0, HE21 256, 
12788 111.193   6.511   7.221 1 U         -5.000e+02  0.00e+00 m   0 2412    0 2414 0 #NE2 256,  0, HE22 256, 
12796 111.753   3.426   8.023 1 U         -4.090e+02  0.00e+00 m   0 2417    0 2418 0 #N 257,  0, HN 257, 
12797 111.753   4.357   8.023 1 U         -7.110e+02  0.00e+00 m   0 2417    0 2418 0 #N 257,  0, HN 257, 
12798 111.753   1.644   8.023 1 U         -6.280e+02  0.00e+00 m   0 2417    0 2418 0 #N 257,  0, HN 257, 
12799 111.753   0.569   8.023 1 U         -4.470e+02  0.00e+00 m   0 2417    0 2418 0 #N 257,  0, HN 257, 
12800 118.578   2.154   7.392 1 U         -4.780e+02  0.00e+00 m   0 2427    0 2428 0 #N 258,  0, HN 258, 
12801 118.578   8.513   7.392 1 U         -3.770e+02  0.00e+00 m   0 2427    0 2428 0 #N 258,  0, HN 258, 
12802 118.578   8.678   7.392 1 U         -2.010e+02  0.00e+00 m   0 2427    0 2428 0 #N 258,  0, HN 258, 
12803 118.578   7.707   7.392 1 U         -4.800e+02  0.00e+00 m   0 2427    0 2428 0 #N 258,  0, HN 258, 
12814 118.370   8.044   7.877 1 U         -1.018e+03  0.00e+00 m   0 2453    0 2454 0 #N 259,  0, HN 259, 
12815 113.310   7.880   8.408 1 U         -6.280e+02  0.00e+00 m   0 2484    0 2485 0 #N 261,  0, HN 261, 
12817 118.370   4.405   7.877 1 U         -9.130e+02  0.00e+00 m   0 2453    0 2454 0 #N 259,  0, HN 259, 
12818 118.370   4.176   7.877 1 U         -2.620e+02  0.00e+00 m   0 2453    0 2454 0 #N 259,  0, HN 259, 
12819 113.310   0.866   8.408 1 U         -6.920e+02  0.00e+00 m   0 2484    0 2485 0 #N 261,  0, HN 261, 
12823 122.736   1.412   8.008 1 U         -8.350e+02  0.00e+00 m   0 2494    0 2495 0 #N 262,  0, HN 262, 
12824 121.277   2.070   7.831 1 U         -7.870e+02  0.00e+00 m   0 2516    0 2517 0 #N 263,  0, HN 263, 
12826 121.277   8.409   7.831 1 U         -8.160e+02  0.00e+00 m   0 2516    0 2517 0 #N 263,  0, HN 263, 
12827 121.277   7.169   7.831 1 U         -4.890e+02  0.00e+00 m   0 2516    0 2517 0 #N 263,  0, HN 263, 
12828 121.277   6.917   7.831 1 U         -5.080e+02  0.00e+00 m   0 2516    0 2517 0 #N 263,  0, HN 263, 
12830 120.010   8.008   8.256 1 U         -4.230e+02  0.00e+00 m   0 2542    0 2543 0 #N 264,  0, HN 264, 
12832 114.969   1.672   7.832 1 U         -4.970e+02  0.00e+00 m   0 2553    0 2554 0 #N 265,  0, HN 265, 
12833 120.010   2.021   8.256 1 U         -5.560e+02  0.00e+00 m   0 2542    0 2543 0 #N 264,  0, HN 264, 
12834 120.010   2.527   8.256 1 U         -4.580e+02  0.00e+00 m   0 2542    0 2543 0 #N 264,  0, HN 264, 
12835 120.010   3.911   8.256 1 U         -4.380e+02  0.00e+00 m   0 2542    0 2543 0 #N 264,  0, HN 264, 
12836 120.010   0.870   8.256 1 U         -6.640e+02  0.00e+00 m   0 2542    0 2543 0 #N 264,  0, HN 264, 
12837 113.293   3.810   7.732 1 U         -3.490e+02  0.00e+00 m   0 2572    0 2573 0 #ND2 266,  0, HD21 266, 
12838 122.291   3.790   8.562 1 U         -5.620e+02  0.00e+00 m   0 2563    0 2564 0 #N 266,  0, HN 266, 
12840 115.403   7.124   8.202 1 U         -5.390e+02  0.00e+00 m   0 2593    0 2594 0 #N 268,  0, HN 268, 
12841 115.403   2.117   8.202 1 U         -1.006e+03  0.00e+00 m   0 2593    0 2594 0 #N 268,  0, HN 268, 
12842 118.796   0.568   7.483 1 U         -4.960e+02  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
12843 118.796   2.269   7.483 1 U         -6.960e+02  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
12844 118.796   3.224   7.483 1 U         -5.430e+02  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
12845 118.796   4.464   7.483 1 U         -1.038e+03  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
12846 115.403   3.802   8.202 1 U         -1.153e+03  0.00e+00 m   0 2593    0 2594 0 #N 268,  0, HN 268, 
12850 118.796   8.320   7.483 1 U         -7.440e+02  0.00e+00 m   0 2604    0 2605 0 #N 269,  0, HN 269, 
12884 127.318   5.248   8.636 1 U         -3.940e+02  0.00e+00 m   0 2640    0 2641 0 #N 271,  0, HN 271, 
12885 127.318   5.437   8.636 1 U         -4.930e+02  0.00e+00 m   0 2640    0 2641 0 #N 271,  0, HN 271, 
12888 125.235   5.565   8.975 1 U         -5.130e+02  0.00e+00 m   0 2655    0 2656 0 #N 272,  0, HN 272, 
12892 126.062   8.695   8.520 1 U         -4.970e+02  0.00e+00 m   0 2676    0 2677 0 #N 273,  0, HN 273, 
12893 126.062   0.722   8.520 1 U         -7.910e+02  0.00e+00 m   0 2676    0 2677 0 #N 273,  0, HN 273, 
12894 126.062   0.883   8.520 1 U         -5.170e+02  0.00e+00 m   0 2676    0 2677 0 #N 273,  0, HN 273, 
12895 122.645   1.565   9.311 1 U         -2.520e+02  0.00e+00 m   0 2687    0 2688 0 #N 274,  0, HN 274, 
12896 122.645   1.224   9.311 1 U         -3.580e+02  0.00e+00 m   0 2687    0 2688 0 #N 274,  0, HN 274, 
12906 114.946   1.969   8.702 1 U         -7.620e+02  0.00e+00 m   0 2710    0 2711 0 #N 275,  0, HN 275, 
12907 114.946   5.227   8.702 1 U         -4.100e+02  0.00e+00 m   0 2710    0 2711 0 #N 275,  0, HN 275, 
12908 114.946   4.501   8.702 1 U         -5.070e+02  0.00e+00 m   0 2710    0 2711 0 #N 275,  0, HN 275, 
12919 114.946   8.534   8.702 1 U         -4.060e+02  0.00e+00 m   0 2710    0 2711 0 #N 275,  0, HN 275, 
12922 121.940   7.874   6.711 1 U         -4.080e+02  0.00e+00 m   0 2738    0 2739 0 #N 277,  0, HN 277, 
12923 106.475   9.316   7.556 1 U         -3.260e+02  0.00e+00 m   0 2725    0 2726 0 #N 276,  0, HN 276, 
12924 106.475   3.992   7.556 1 U         -5.070e+02  0.00e+00 m   0 2725    0 2726 0 #N 276,  0, HN 276, 
12925 106.475   3.025   7.556 1 U         -5.640e+02  0.00e+00 m   0 2725    0 2726 0 #N 276,  0, HN 276, 
12926 106.475   0.729   7.556 1 U         -4.390e+02  0.00e+00 m   0 2725    0 2726 0 #N 276,  0, HN 276, 
12928 106.475   1.568   7.556 1 U         -3.860e+02  0.00e+00 m   0 2725    0 2726 0 #N 276,  0, HN 276, 
12937 123.454   2.198  10.010 1 U         -4.720e+02  0.00e+00 m   0 2760    0 2761 0 #N 278,  0, HN 278, 
12945 106.245   1.684   7.885 1 U         -4.090e+02  0.00e+00 m   0 2801    0 2802 0 #N 280,  0, HN 280, 
12946 121.181   1.717   7.284 1 U         -7.880e+02  0.00e+00 m   0 2814    0 2815 0 #N 281,  0, HN 281, 
12947 121.181   0.752   7.284 1 U         -5.460e+02  0.00e+00 m   0 2814    0 2815 0 #N 281,  0, HN 281, 
12951 120.411   1.604   8.623 1 U         -4.800e+02  0.00e+00 m   0 2912    0 2913 0 #N 286,  0, HN 286, 
12952 120.411   2.384   8.623 1 U         -6.610e+02  0.00e+00 m   0 2912    0 2913 0 #N 286,  0, HN 286, 
12953 120.411   7.996   8.623 1 U         -1.130e+03  0.00e+00 m   0 2912    0 2913 0 #N 286,  0, HN 286, 
12954 120.411   8.187   8.623 1 U         -7.860e+02  0.00e+00 m   0 2912    0 2913 0 #N 286,  0, HN 286, 
12955 118.748   7.709   8.052 1 U         -6.550e+02  0.00e+00 m   0 2927    0 2928 0 #N 287,  0, HN 287, 
12956 120.411   4.011   8.623 1 U         -5.260e+02  0.00e+00 m   0 2912    0 2913 0 #N 286,  0, HN 286, 
12961 118.888   7.838   8.202 1 U         -2.520e+02  0.00e+00 m   0 2994    0 2995 0 #N 290,  0, HN 290, 
12962 114.092   2.089   7.594 1 U         -6.610e+02  0.00e+00 m   0 3019    0 3020 0 #N 291,  0, HN 291, 
12963 114.092   7.763   7.594 1 U         -1.880e+03  0.00e+00 m   0 3019    0 3020 0 #N 291,  0, HN 291, 
12969 114.092   8.245   7.594 1 U         -1.795e+03  0.00e+00 m   0 3019    0 3020 0 #N 291,  0, HN 291, 
12970 114.092   1.061   7.594 1 U         -5.770e+02  0.00e+00 m   0 3019    0 3020 0 #N 291,  0, HN 291, 
12971 119.063   2.030   7.618 1 U         -4.700e+02  0.00e+00 m   0 3039    0 3040 0 #N 293,  0, HN 293, 
12972 119.063   0.863   7.618 1 U         -4.050e+02  0.00e+00 m   0 3039    0 3040 0 #N 293,  0, HN 293, 
12973 119.211   0.899   7.781 1 U         -8.110e+02  0.00e+00 m   0 3061    0 3062 0 #N 294,  0, HN 294, 
12975 119.211   2.547   7.781 1 U         -3.440e+02  0.00e+00 m   0 3061    0 3062 0 #N 294,  0, HN 294, 
12976 119.211   2.642   7.781 1 U         -6.160e+02  0.00e+00 m   0 3061    0 3062 0 #N 294,  0, HN 294, 
12977 119.211   2.887   7.781 1 U         -7.250e+02  0.00e+00 m   0 3061    0 3062 0 #N 294,  0, HN 294, 
12981 122.309   2.692   8.245 1 U         -7.170e+02  0.00e+00 m   0  173    0  174 0 #N 12,  0, HN 12, 
12986 124.771   2.976   8.402 1 U         -4.630e+02  0.00e+00 m   0  283    0  284 0 #N 18,  0, HN 18, 
13004 121.799   4.300   8.088 1 U         -1.678e+03  0.00e+00 m   0  980  983  981 0 #N 60, HA 60, HN 60, 
13005 121.799   2.523   8.088 1 U         -1.917e+03  0.00e+00 m   0  980    0  981 0 #N 60,  0, HN 60, 
13006 121.799   2.183   8.088 1 U         -1.854e+03  0.00e+00 m   0  980    0  981 0 #N 60,  0, HN 60, 
13007 121.799   8.088   8.088 1 U         -4.482e+03  0.00e+00 m   0  980  981  981 0 #N 60, HN 60, HN 60, 
13054 112.758   2.044   7.619 1 U         -6.690e+02  0.00e+00 m   0 1260    0 1262 0 #NE2 77,  0, HE22 77, 
13055 112.758   2.060   6.910 1 U         -5.210e+02  0.00e+00 m   0 1260    0 1261 0 #NE2 77,  0, HE21 77, 
13056 119.693   3.957   8.294 1 U         -3.580e+02  0.00e+00 m   0 1265    0 1266 0 #N 78,  0, HN 78, 
13057 113.749   5.124   7.793 1 U         -4.410e+02  0.00e+00 m   0 1274    0 1276 0 #ND2 78,  0, HD22 78, 
13102 116.229   0.925   7.610 1 U         -2.454e+03  0.00e+00 m   0 2138    0 2139 0 #N 242,  0, HN 242, 
13136 129.857   4.351  10.223 1 U         -8.870e+02  0.00e+00 m   0  831    0  836 0 #NE1 50,  0, HE1 50, 
13144 129.147   1.034   8.830 1 U         -1.201e+03  0.00e+00 m   0  257    0  258 0 #N 17,  0, HN 17, 
13145 111.193   0.759   6.884 1 U         -9.640e+02  0.00e+00 m   0 2412    0 2413 0 #NE2 256,  0, HE21 256, 
13146 111.193   0.771   7.221 1 U         -1.217e+03  0.00e+00 m   0 2412    0 2414 0 #NE2 256,  0, HE22 256, 
13147 121.181   2.002   7.284 1 U         -7.470e+02  0.00e+00 m   0 2814    0 2815 0 #N 281,  0, HN 281, 
13148 106.245   2.031   7.885 1 U         -6.340e+02  0.00e+00 m   0 2801    0 2802 0 #N 280,  0, HN 280, 
13149 118.625   0.693   9.829 1 U         -1.293e+03  0.00e+00 m   0  741    0  742 0 #N 44,  0, HN 44, 
13150 121.799   4.347   8.088 1 U         -3.533e+03  0.00e+00 m   0  980    0  981 0 #N 60,  0, HN 60, 
13154 121.799   1.018   8.088 1 U         -1.925e+03  0.00e+00 m   0  980    0  981 0 #N 60,  0, HN 60, 
13155 121.799   1.611   8.088 1 U         -8.520e+02  0.00e+00 m   0  980    0  981 0 #N 60,  0, HN 60, 
13235 120.157   3.742   8.501 1 U         -5.500e+02  0.00e+00 m   0 2890    0 2891 0 #N 285,  0, HN 285, 
13240 120.714   4.159   8.079 1 U         -8.760e+02  0.00e+00 m   0 2953    0 2954 0 #N 288,  0, HN 288, 
13290 109.973   7.845   8.389 1 U         -3.390e+02  0.00e+00 m   0 1638    0 1639 0 #N 210,  0, HN 210, 
13303 122.317   4.425   8.293 1 U         -2.002e+03  0.00e+00 m   0 1751    0 1752 0 #N 218,  0, HN 218, 
13304 122.317   4.245   8.293 1 U         -1.502e+03  0.00e+00 m   0 1751    0 1752 0 #N 218,  0, HN 218, 
13305 122.317   8.581   8.293 1 U         -6.600e+02  0.00e+00 m   0 1751    0 1752 0 #N 218,  0, HN 218, 
13321 116.229   0.795   7.610 1 U         -4.834e+03  0.00e+00 m   0 2138    0 2139 0 #N 242,  0, HN 242, 
13329 117.756   1.052   7.618 1 U         -5.290e+02  0.00e+00 m   0 2340    0 2341 0 #N 253,  0, HN 253, 
13392 127.318   8.355   8.636 1 U         -4.720e+02  0.00e+00 m   0 2640    0 2641 0 #N 271,  0, HN 271, 
13430 114.092   3.085   7.594 1 U         -4.790e+02  0.00e+00 m   0 3019    0 3020 0 #N 291,  0, HN 291, 
13436 112.793   1.586   6.866 1 U         -8.280e+02  0.00e+00 m   0 3074    0 3075 0 #NE2 294,  0, HE21 294, 
13437 112.793   1.753   6.866 1 U         -6.400e+02  0.00e+00 m   0 3074    0 3075 0 #NE2 294,  0, HE21 294, 
13472 115.336   3.045   8.128 1 U         -3.500e+02  0.00e+00 m   0 1295    0 1296 0 #N 80,  0, HN 80, 
13473 115.336   3.987   8.128 1 U         -1.241e+03  0.00e+00 m   0 1295    0 1296 0 #N 80,  0, HN 80, 
13477 121.752   0.875   9.145 1 U         -8.140e+02  0.00e+00 m   0 2976    0 2977 0 #N 289,  0, HN 289, 
13478 121.891   1.066   7.397 1 U         -8.000e+02  0.00e+00 m   0 2164    0 2165 0 #N 243,  0, HN 243, 
13481 115.336   9.311   8.128 1 U         -1.770e+02  0.00e+00 m   0 1295    0 1296 0 #N 80,  0, HN 80, 
13509 109.451   1.764   8.113 1 U          0.000e+00  0.00e+00 -   0  524    0  525 0 #N 30,  0, HN 30, 
13510 119.997   2.848   7.705 1 U          0.000e+00  0.00e+00 -   0 1317    0 1318 0 #N 81,  0, HN 81,
;

   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   .   .   H   1    H    .   .   11160.7   Hz   .   .   .   4.70    .   .   30791   2
      2   .   .   N   15   N    3   .   2500      Hz   .   .   .   118.0   .   .   30791   2
      3   .   .   H   1    HN   2   .   11160.7   Hz   .   .   .   4.7     .   .   30791   2
   stop_
save_