Content for NMR-STAR saveframe, spectral_peak_list_1

    save_spectral_peak_list_1
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_1
   _Spectral_peak_list.Entry_ID                         52587
   _Spectral_peak_list.ID                               1
   _Spectral_peak_list.Name                             15N-edited-NOESY
   _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                    11
   _Spectral_peak_list.Experiment_name                  '3D 1H-15N NOESY'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    3
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      1
   _Spectral_peak_list.Assigned_chem_shift_list_label   $assigned_chemical_shifts_1
   _Spectral_peak_list.Details                          'Peaklist with assignments from CYANA. NUS reconstruction applied to raw data'
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
label dataset sw sf
HN 15N 1Hz
15Ne-NOESY-corrected.nv
{4915.50976562} {3242.54199219} {11210.7617187} 
{800.133972168} {81.0859985352} {800.133972168} 
HN.L  HN.P  HN.W  HN.B  15N.L  15N.P  15N.W  15N.B  1Hz.L  1Hz.P  1Hz.W  1Hz.B  vol  int  stat  flag0
      0 {?}    9.570  0.024  0.019 {?}  134.684  0.067  0.045 {?}   11.717  0.907  0.607       2.725     29.835  0  0
      1 {?}    9.523  0.024  0.019 {?}  134.708  0.067  0.045 {?}    0.920  0.907  0.607      79.820     29.835  0  0
      2 {?}    9.575  0.024  0.019 {?}  134.634  0.067  0.045 {?}   -0.395  0.907  0.607      46.214     29.835  0  0
      3 {?}    9.575  0.024  0.019 {?}  134.565  0.067  0.045 {?}    9.583  0.907  0.607    2546.353     29.835  0  0
      4 {?}    9.575  0.022  0.045 {?}  134.529  0.126  0.181 {?}    9.256  0.785  1.828     209.545     14.625  0  0
      5 {?}    9.577  0.046  0.112 {?}  134.605  0.053  0.228 {?}    8.678  0.983  1.952     207.424     40.052  0  0
      6 {?}    9.575  0.046  0.112 {?}  134.570  0.053  0.228 {?}    8.359  0.983  1.952     854.257     40.052  0  0
      7 {?}    9.577  0.046  0.112 {?}  134.516  0.053  0.228 {?}    8.183  0.983  1.952     194.582     40.052  0  0
      8 {?}    9.578  0.032  0.081 {?}  134.569  0.211  0.301 {?}    8.067  1.199  1.713     336.139     41.012  0  0
      9 {?}    9.575  0.032  0.081 {?}  134.522  0.211  0.301 {?}    7.496  1.199  1.713     662.339     10.535  0  0
     10 {?}    9.581  0.032  0.081 {?}  134.615  0.211  0.301 {?}    7.213  1.199  1.713      84.053      2.938  0  0
     11 {?}    9.576  0.032  0.081 {?}  134.532  0.211  0.301 {?}    7.010  1.199  1.713     638.203      3.111  0  0
     12 {?}    9.523  0.033  0.051 {?}  134.581  0.087  0.344 {?}    7.007  0.696  1.017      41.970      9.085  0  0
     13 {?}    9.577  0.054  0.109 {?}  134.523  0.149  0.274 {?}    6.821  1.101  2.003     180.519      2.338  0  0
     14 {?}    9.576  0.048  0.088 {?}  134.581  0.126  0.181 {?}    4.862  1.115  1.650      75.654      9.790  0  0
     15 {?}    9.580  0.022  0.026 {?}  134.513  0.172  0.199 {?}    4.685  0.762  0.950      97.091     12.122  0  0
     16 {?}    9.574  0.022  0.026 {?}  134.582  0.172  0.199 {?}    4.444  0.762  0.950     176.509      8.274  0  0
     17 {?}    9.570  0.031  0.085 {?}  134.606  0.100  0.314 {?}    4.313  0.935  1.336     140.990     37.365  0  0
     18 {?}    9.574  0.046  0.051 {?}  134.566  0.120  0.171 {?}    3.776  1.081  1.216     804.232      3.655  0  0
     19 {?}    9.575  0.046  0.051 {?}  134.567  0.120  0.171 {?}    3.180  1.081  1.216     908.935      3.655  0  0
     20 {?}    9.574  0.035  0.088 {?}  134.578  0.190  0.272 {?}    3.008  0.812  2.082     160.561      2.533  0  0
     21 {?}    9.575  0.029  0.063 {?}  134.557  0.085  0.266 {?}    2.343  0.868  1.987     439.606      5.135  0  0
     22 {?}    9.576  0.029  0.063 {?}  134.566  0.085  0.266 {?}    2.030  0.868  1.987    1534.445      6.375  0  0
     23 {?}    9.576  0.023  0.051 {?}  134.572  0.085  0.181 {?}    1.805  0.816  2.313     658.992     21.353  0  0
     24 {?}    9.575  0.037  0.052 {?}  134.566  0.079  0.165 {?}    1.490  0.646  0.568    4090.210     23.933  0  0
     25 {?}    9.574  0.051  0.084 {?}  134.563  0.116  0.227 {?}    1.160  1.087  1.886      21.299      7.163  0  0
     26 {?}    9.575  0.051  0.084 {?}  134.565  0.116  0.227 {?}    0.924  1.087  1.886    1296.299      4.709  0  0
     27 {?}    9.575  0.051  0.084 {?}  134.577  0.116  0.227 {?}    0.760  1.087  1.886    1896.523      3.110  0  0
     28 {?}    9.523  0.049  0.078 {?}  134.586  0.164  0.234 {?}    0.751  0.701  1.203     124.088     17.234  0  0
     29 {?}    9.570  0.049  0.078 {?}  134.574  0.164  0.234 {?}    0.511  0.701  1.203      30.127      2.419  0  0
     30 {?}    9.663  0.049  0.078 {?}  134.393  0.164  0.234 {?}   -2.200  0.701  1.203     108.220      7.464  0  0
     31 {?}    9.519  0.031  0.044 {?}  134.510  0.108  0.154 {?}   -2.181  0.940  1.344      20.902     11.830  0  0
     32 {?}    5.443  0.031  0.044 {?}  132.388  0.108  0.154 {?}    0.644  0.940  1.344       5.230      2.271  0  0
     33 {?}    8.766  0.031  0.044 {?}  131.994  0.108  0.154 {?}    8.765  0.940  1.344       2.697     11.763  0  0
     34 {?}    8.107  0.031  0.044 {?}  131.904  0.108  0.154 {?}    8.094  0.940  1.344      20.655     11.264  0  0
     35 {21.H 21.H}    9.299  0.031  0.044 {21.N 21.N}  131.689  0.108  0.154 {138.H 139.H}    9.500  0.940  1.344     434.549     14.479  0  0
     36 {21.H}    9.299  0.031  0.044 {21.N}  131.671  0.108  0.154 {21.H}    9.300  0.940  1.344    4122.891     15.802  0  0
     37 {?}    9.298  0.059  0.078 {?}  131.659  0.072  0.243 {?}    9.171  0.847  1.385    2040.107      6.422  0  0
     38 {21.H}    9.293  0.030  0.075 {21.N}  131.600  0.195  0.279 {20.H}    8.748  1.266  1.808     147.233      3.572  0  0
     39 {21.H}    9.300  0.029  0.068 {21.N}  131.658  0.122  0.174 {22.H}    8.550  0.842  1.805     481.809     15.039  0  0
     40 {?}    7.973  0.029  0.068 {?}  131.569  0.122  0.174 {?}    7.719  0.842  1.805      33.093      7.965  0  0
     41 {?}    9.298  0.029  0.068 {?}  131.688  0.122  0.174 {?}    7.293  0.842  1.805     307.178      3.673  0  0
     42 {?}    9.299  0.029  0.068 {?}  131.640  0.122  0.174 {?}    6.635  0.842  1.805      57.786      2.123  0  0
     43 {21.H}    9.298  0.026  0.037 {21.N}  131.697  0.131  0.203 {138.HA}    5.333  1.233  1.841     306.100      3.030  0  0
     44 {?}    9.299  0.031  0.085 {?}  131.674  0.084  0.181 {?}    5.185  1.246  1.780    1018.470      3.061  0  0
     45 {?}    9.299  0.058  0.075 {?}  131.674  0.100  0.139 {?}    5.059  1.079  1.438     700.423      2.818  0  0
     46 {?}    9.298  0.058  0.075 {?}  131.686  0.100  0.139 {?}    4.757  1.079  1.438     730.588      8.548  0  0
     47 {?}    9.297  0.058  0.075 {?}  131.677  0.100  0.139 {?}    4.627  1.079  1.438     354.788      6.589  0  0
     48 {21.H}    9.298  0.057  0.084 {21.N}  131.678  0.115  0.179 {137.HB}    4.224  1.330  1.850     294.166      3.597  0  0
     49 {21.H}    9.297  0.025  0.048 {21.N}  131.674  0.154  0.234 {20.HB}    3.853  0.816  1.863     398.222      2.870  0  0
     50 {?}    9.305  0.030  0.091 {?}  131.614  0.083  0.235 {?}    3.134  1.149  2.109     187.592      9.243  0  0
     51 {21.H}    9.302  0.030  0.091 {21.N}  131.622  0.083  0.235 {23.HB3}    2.979  1.149  2.109     123.662      9.243  0  0
     52 {?}    9.296  0.030  0.091 {?}  131.749  0.083  0.235 {?}    2.677  1.149  2.109      79.503      9.243  0  0
     53 {?}    9.297  0.030  0.091 {?}  131.676  0.083  0.235 {?}    2.444  1.149  2.109     314.546      7.098  0  0
     54 {21.H}    9.298  0.030  0.091 {21.N}  131.667  0.083  0.235 {21.HB2}    2.124  1.149  2.109    3024.342      7.098  0  0
     55 {21.H}    9.299  0.030  0.091 {21.N}  131.667  0.083  0.235 {21.HB3}    1.757  1.149  2.109    1988.643      7.098  0  0
     56 {?}    9.297  0.030  0.091 {?}  131.677  0.083  0.235 {?}    1.347  1.149  2.109    1432.905      1.959  0  0
     57 {?}    9.298  0.032  0.054 {?}  131.673  0.146  0.227 {?}    1.187  0.839  1.441    4068.719     13.850  0  0
     58 {?}    7.973  0.032  0.054 {?}  131.466  0.146  0.227 {?}    7.972  0.839  1.441    2827.978     13.850  0  0
     59 {?}    7.976  0.032  0.054 {?}  131.454  0.146  0.227 {?}    7.833  0.839  1.441     170.859     13.850  0  0
     60 {116.H}    9.191  0.028  0.050 {116.N}  131.084  0.166  0.283 {116.H}    9.190  1.054  2.264    4003.501      4.863  0  0
     61 {?}    9.190  0.010  0.009 {?}  131.084  0.126  0.039 {?}    8.817  0.513  0.343    1571.854     10.183  0  0
     62 {116.H}    9.193  0.010  0.009 {116.N}  131.160  0.126  0.039 {157.H}    8.409  0.513  0.343     254.823     10.183  0  0
     63 {?}    9.192  0.010  0.009 {?}  131.134  0.126  0.039 {?}    7.501  0.513  0.343     505.232     10.183  0  0
     64 {116.H}    9.191  0.016  0.022 {116.N}  131.087  0.131  0.105 {115.HD1}    7.112  0.863  0.671    2094.947     10.180  0  0
     65 {?}    9.191  0.016  0.022 {?}  131.093  0.131  0.105 {?}    5.880  0.863  0.671    1811.297     10.180  0  0
     66 {?}    9.192  0.016  0.022 {?}  131.127  0.131  0.105 {?}    5.133  0.863  0.671      81.098     10.180  0  0
     67 {?}    9.191  0.016  0.022 {?}  130.996  0.131  0.105 {?}    5.036  0.863  0.671     187.027      7.847  0  0
     68 {116.H}    9.194  0.013  0.030 {116.N}  131.033  0.082  0.085 {117.HA}    4.875  0.795  0.818     132.166     14.388  0  0
     69 {116.H}    9.185  0.031  0.044 {116.N}  131.077  0.126  0.181 {156.HA}    4.705  1.048  1.498      71.352     13.339  0  0
     70 {?}    9.199  0.024  0.031 {?}  131.121  0.125  0.158 {?}    4.306  0.759  0.953      32.169     41.705  0  0
     71 {?}    9.188  0.037  0.052 {?}  131.070  0.169  0.263 {?}    3.882  1.055  1.973     100.960     27.963  0  0
     72 {?}    9.189  0.037  0.052 {?}  131.075  0.169  0.263 {?}    3.003  1.055  1.973     987.397     27.963  0  0
     73 {116.H}    9.189  0.032  0.059 {116.N}  131.102  0.188  0.273 {115.HB3}    2.841  1.025  1.848     445.049     33.901  0  0
     74 {?}    9.191  0.031  0.015 {?}  131.106  0.097  0.143 {?}    2.123  1.154  0.476    1863.247     26.933  0  0
     75 {?}    9.189  0.031  0.015 {?}  131.142  0.097  0.143 {?}    1.926  1.154  0.476     237.726     26.933  0  0
     76 {?}    9.191  0.031  0.015 {?}  131.083  0.097  0.143 {?}    1.801  1.154  0.476     561.368     26.933  0  0
     77 {?}    9.191  0.028  0.018 {?}  131.081  0.133  0.067 {?}    1.566  1.529  0.727     479.601     39.247  0  0
     78 {116.H}    9.190  0.046  0.070 {116.N}  131.129  0.143  0.274 {58.HB3}    1.411  0.779  1.117     236.169     10.294  0  0
     79 {?}    9.191  0.046  0.070 {?}  131.093  0.143  0.274 {?}    1.196  0.779  1.117    2308.967     10.294  0  0
     80 {116.H}    9.191  0.046  0.070 {116.N}  131.084  0.143  0.274 {116.HG21}    0.885  0.779  1.117    3578.320     10.294  0  0
     81 {?}    9.191  0.046  0.070 {?}  131.102  0.143  0.274 {?}    0.777  0.779  1.117    1897.258     10.294  0  0
     82 {?}    9.191  0.046  0.070 {?}  131.069  0.143  0.274 {?}    0.514  0.779  1.117     305.741     10.294  0  0
     83 {?}    7.890  0.046  0.070 {?}  130.486  0.143  0.274 {?}    7.884  0.779  1.117     197.121     10.294  0  0
     84 {?}    8.000  0.031  0.095 {?}  130.044  0.154  0.267 {?}    8.002  1.428  2.039     245.267     29.908  0  0
     85 {?}    9.482  0.031  0.095 {?}  129.973  0.154  0.267 {?}    3.346  1.428  2.039      43.149     29.908  0  0
     86 {102.H}    5.894  0.031  0.095 {102.N}  129.689  0.154  0.267 {130.H}    9.687  1.428  2.039     227.398     29.908  0  0
     87 {139.H}    9.483  0.031  0.095 {139.N}  129.810  0.154  0.267 {139.H}    9.491  1.428  2.039    6498.025     29.908  0  0
     88 {?}    9.481  0.031  0.095 {?}  129.806  0.154  0.267 {?}    9.305  1.428  2.039    1195.737     29.908  0  0
     89 {?}    9.487  0.025  0.026 {?}  129.835  0.103  0.105 {?}    9.169  0.898  0.919     383.083     17.884  0  0
     90 {139.H}    9.484  0.020  0.009 {139.N}  129.796  0.140  0.053 {140.H}    8.993  1.323  0.560     437.399     19.082  0  0
     91 {139.H}    9.485  0.020  0.009 {139.N}  129.788  0.140  0.053 {20.H}    8.768  1.323  0.560      81.324     19.082  0  0
     92 {139.H}    9.484  0.020  0.009 {139.N}  129.822  0.140  0.053 {19.H}    8.133  1.323  0.560     955.180     19.082  0  0
     93 {?}    7.940  0.027  0.044 {?}  129.797  0.142  0.218 {?}    7.939  0.804  1.434    1023.378      2.333  0  0
     94 {?}    7.826  0.029  0.077 {?}  129.669  0.159  0.227 {?}    7.822  1.228  1.755     184.792      4.701  0  0
     95 {102.H}    5.893  0.033  0.048 {102.N}  129.686  0.090  0.068 {104.H}    7.809  0.547  0.913      42.399      5.101  0  0
     96 {102.H}    5.894  0.033  0.048 {102.N}  129.676  0.090  0.068 {103.H}    7.530  0.547  0.913    1725.661      9.857  0  0
     97 {?}    5.894  0.016  0.017 {?}  129.676  0.098  0.040 {?}    7.418  1.476  0.655    1274.149      7.643  0  0
     98 {?}    9.483  0.016  0.017 {?}  129.805  0.098  0.040 {?}    7.270  1.476  0.655     227.526      7.643  0  0
     99 {?}    5.894  0.016  0.017 {?}  129.671  0.098  0.040 {?}    7.050  1.476  0.655    2197.136      7.643  0  0
    100 {?}    5.895  0.016  0.017 {?}  129.667  0.098  0.040 {?}    6.563  1.476  0.655     516.430      6.585  0  0
    101 {102.H}    5.892  0.025  0.025 {102.N}  129.687  0.148  0.152 {101.H}    6.069  0.590  0.605     382.107     13.902  0  0
    102 {102.H}    5.894  0.025  0.025 {102.N}  129.674  0.148  0.152 {102.H}    5.904  0.590  0.605    2966.142     13.902  0  0
    103 {?}    5.894  0.025  0.025 {?}  129.683  0.148  0.152 {?}    5.303  0.590  0.605     218.219     13.902  0  0
    104 {?}    9.483  0.031  0.064 {?}  129.811  0.146  0.225 {?}    5.183  0.895  1.593    1128.921     13.448  0  0
    105 {?}    5.893  0.054  0.164 {?}  129.716  0.306  0.438 {?}    5.096  1.096  1.566     220.384     12.079  0  0
    106 {?}    5.892  0.054  0.164 {?}  129.643  0.306  0.438 {?}    4.986  1.096  1.566     181.435     13.156  0  0
    107 {?}    9.482  0.054  0.164 {?}  129.841  0.306  0.438 {?}    4.959  1.096  1.566     655.477     37.778  0  0
    108 {?}    5.890  0.054  0.164 {?}  129.732  0.306  0.438 {?}    4.856  1.096  1.566      56.880     37.778  0  0
    109 {?}    9.482  0.044  0.029 {?}  129.792  0.130  0.084 {?}    4.705  0.766  0.512     581.929     39.943  0  0
    110 {102.H 102.H}    5.894  0.027  0.002 {102.N 102.N}  129.696  0.201  0.016 {101.HA 103.HA}    4.707  1.401  0.073     131.964      9.352  0  0
    111 {139.H}    9.481  0.027  0.002 {139.N}  129.792  0.201  0.016 {138.HB}    4.200  1.401  0.073     372.959     39.482  0  0
    112 {?}    5.891  0.027  0.002 {?}  129.665  0.201  0.016 {?}    4.110  1.401  0.073     353.734     28.819  0  0
    113 {?}    9.486  0.024  0.034 {?}  129.830  0.103  0.108 {?}    3.845  1.557  1.611     209.439     30.711  0  0
    114 {102.H 102.H}    5.895  0.022  0.009 {102.N 102.N}  129.677  0.141  0.060 {99.HB3 102.HA}    3.803  1.355  0.535     927.787     29.595  0  0
    115 {?}    5.891  0.022  0.009 {?}  129.740  0.141  0.060 {?}    3.504  1.355  0.535      41.279     29.595  0  0
    116 {102.H}    5.895  0.022  0.009 {102.N}  129.671  0.141  0.060 {103.HB2}    3.327  1.355  0.535     307.478     29.595  0  0
    117 {?}    9.480  0.022  0.009 {?}  129.850  0.141  0.060 {?}    3.157  1.355  0.535     148.055     56.881  0  0
    118 {102.H}    5.894  0.022  0.009 {102.N}  129.673  0.141  0.060 {129.HB2}    3.127  1.355  0.535     270.960     56.881  0  0
    119 {?}    9.484  0.022  0.009 {?}  129.752  0.141  0.060 {?}    3.005  1.355  0.535     179.848     56.881  0  0
    120 {?}    5.894  0.022  0.009 {?}  129.683  0.141  0.060 {?}    2.736  1.355  0.535     100.899     21.656  0  0
    121 {?}    9.486  0.022  0.009 {?}  129.801  0.141  0.060 {?}    2.598  1.355  0.535     295.495     21.656  0  0
    122 {?}    9.482  0.022  0.009 {?}  129.820  0.141  0.060 {?}    2.411  1.355  0.535     681.386     21.656  0  0
    123 {?}    9.484  0.033  0.052 {?}  129.805  0.183  0.261 {?}    2.151  1.207  2.240    1784.749    731.064  0  0
    124 {?}    5.894  0.033  0.052 {?}  129.663  0.183  0.261 {?}    2.123  1.207  2.240     508.514    731.064  0  0
    125 {?}    9.483  0.033  0.052 {?}  129.806  0.183  0.261 {?}    2.000  1.207  2.240     661.248    731.064  0  0
    126 {?}    5.894  0.033  0.052 {?}  129.639  0.183  0.261 {?}    1.965  1.207  2.240     563.047    731.064  0  0
    127 {?}    9.484  0.033  0.052 {?}  129.811  0.183  0.261 {?}    1.784  1.207  2.240    1529.950    731.064  0  0
    128 {?}    5.894  0.033  0.052 {?}  129.659  0.183  0.261 {?}    1.753  1.207  2.240     160.514    731.064  0  0
    129 {?}    5.895  0.033  0.052 {?}  129.681  0.183  0.261 {?}    1.450  1.207  2.240     882.876    731.064  0  0
    130 {139.H 139.H}    9.483  0.033  0.052 {139.N 139.N}  129.806  0.183  0.261 {139.HB2 139.HB3}    1.355  1.207  2.240    6547.503    731.064  0  0
    131 {?}    9.484  0.033  0.052 {?}  129.796  0.183  0.261 {?}    1.172  1.207  2.240    1013.343    731.064  0  0
    132 {?}    5.898  0.025  0.021 {?}  129.660  0.083  0.152 {?}    1.159  0.738  0.618     337.246     94.309  0  0
    133 {139.H 139.H}    9.489  0.025  0.021 {139.N 139.N}  129.914  0.083  0.152 {140.HG22 140.HG23}    0.930  0.738  0.618      64.561     94.309  0  0
    134 {?}    5.894  0.050  0.040 {?}  129.680  0.116  0.166 {?}    0.873  0.738  0.633    2162.644     60.172  0  0
    135 {?}    9.486  0.035  0.126 {?}  129.825  0.055  0.173 {?}    0.765  1.071  2.266     156.454   1043.606  0  0
    136 {102.H 102.H}    5.894  0.035  0.126 {102.N 102.N}  129.673  0.055  0.173 {102.HB2 102.HB3}    0.483  1.071  2.266    2931.771   1043.606  0  0
    137 {?}    8.775  0.035  0.126 {?}  129.367  0.055  0.173 {?}    6.041  1.071  2.266     112.820   1043.606  0  0
    138 {?}    8.774  0.036  0.034 {?}  129.338  0.116  0.240 {?}    4.894  0.939  0.889      77.982     20.492  0  0
    139 {?}    9.029  0.014  0.034 {?}  129.438  0.065  0.171 {?}    4.425  0.831  2.086      28.809     22.740  0  0
    140 {?}    5.893  0.037  0.052 {?}  129.601  0.185  0.269 {?}    2.553  1.263  1.805     402.249      7.180  0  0
    141 {158.H}    9.032  0.016  0.008 {158.N}  129.329  0.077  0.036 {116.HG11}    1.157  0.792  0.374      95.666      3.821  0  0
    142 {?}    8.784  0.052  0.044 {?}  129.339  0.147  0.133 {?}    0.526  0.669  0.497      32.826      4.176  0  0
    143 {?}    9.026  0.052  0.044 {?}  129.348  0.147  0.133 {?}    0.498  0.669  0.497     208.601      7.212  0  0
    144 {158.H}    9.026  0.052  0.044 {158.N}  129.265  0.147  0.133 {158.H}    9.024  0.669  0.497    6669.138      2.245  0  0
    145 {49.H}    9.411  0.052  0.044 {49.N}  129.042  0.147  0.133 {57.H}    8.982  0.669  0.497     604.743      1.854  0  0
    146 {?}    9.150  0.021  0.033 {?}  129.136  0.134  0.257 {?}    8.899  1.153  1.860     253.020      1.466  0  0
    147 {155.H}    8.778  0.051  0.091 {155.N}  129.246  0.093  0.233 {155.H}    8.782  1.064  1.773    7315.579      1.512  0  0
    148 {158.H}    9.025  0.047  0.067 {158.N}  129.254  0.134  0.192 {167.H}    8.710  0.886  1.265    1185.880      5.773  0  0
    149 {49.H}    9.408  0.026  0.037 {49.N}  129.004  0.094  0.155 {50.H}    8.680  0.959  1.507     342.681     16.288  0  0
    150 {?}    9.024  0.051  0.086 {?}  129.214  0.105  0.196 {?}    8.535  0.905  1.591     211.502     16.714  0  0
    151 {158.H}    9.025  0.051  0.086 {158.N}  129.281  0.105  0.196 {157.H}    8.401  0.905  1.591     609.444      4.510  0  0
    152 {?}    8.779  0.051  0.086 {?}  129.092  0.105  0.196 {?}    8.298  0.905  1.591     105.875     10.074  0  0
    153 {43.H}    9.154  0.033  0.052 {43.N}  129.015  0.147  0.229 {44.H}    8.226  0.892  1.275     439.610      1.951  0  0
    154 {?}    8.777  0.059  0.071 {?}  129.256  0.128  0.168 {?}    8.166  0.778  0.991      33.802     14.289  0  0
    155 {158.H}    9.025  0.047  0.067 {158.N}  129.301  0.037  0.161 {159.H}    8.068  1.207  2.123     475.121      3.985  0  0
    156 {155.H}    8.779  0.047  0.067 {155.N}  129.227  0.037  0.161 {154.H}    7.981  1.207  2.123     777.063      3.964  0  0
    157 {?}    9.025  0.047  0.067 {?}  129.291  0.037  0.161 {?}    7.936  1.207  2.123     702.084      7.697  0  0
    158 {?}    9.031  0.027  0.020 {?}  129.202  0.090  0.062 {?}    7.771  1.106  0.754      64.339      2.226  0  0
    159 {?}    8.778  0.027  0.020 {?}  129.247  0.090  0.062 {?}    7.716  1.106  0.754     144.295      2.226  0  0
    160 {?}    8.785  0.027  0.020 {?}  129.144  0.090  0.062 {?}    7.626  1.106  0.754     191.282      2.226  0  0
    161 {?}    9.025  0.023  0.039 {?}  129.270  0.094  0.301 {?}    7.502  1.204  1.975      43.797      3.833  0  0
    162 {?}    8.777  0.060  0.106 {?}  129.200  0.080  0.236 {?}    7.463  1.083  2.016     290.922     12.862  0  0
    163 {?}    8.779  0.020  0.048 {?}  129.294  0.104  0.206 {?}    7.112  1.067  2.036     181.977      3.779  0  0
    164 {?}    9.153  0.024  0.014 {?}  129.058  0.152  0.078 {?}    6.925  1.319  0.586     128.995      7.790  0  0
    165 {?}    9.410  0.024  0.016 {?}  129.022  0.043  0.043 {?}    6.702  1.058  0.481      10.593      2.036  0  0
    166 {?}    9.148  0.027  0.045 {?}  128.998  0.134  0.237 {?}    6.539  0.962  1.790      42.315      3.114  0  0
    167 {?}    8.779  0.027  0.045 {?}  129.227  0.134  0.237 {?}    5.880  0.962  1.790     276.009      3.114  0  0
    168 {?}    9.155  0.018  0.010 {?}  129.034  0.095  0.091 {?}    5.787  1.252  0.640     121.951      1.964  0  0
    169 {?}    8.773  0.030  0.036 {?}  129.242  0.119  0.140 {?}    5.571  0.836  0.960     254.971      9.766  0  0
    170 {?}    8.780  0.015  0.009 {?}  129.216  0.113  0.069 {?}    5.412  0.781  0.477     275.801     27.971  0  0
    171 {?}    8.774  0.025  0.032 {?}  129.272  0.149  0.200 {?}    5.301  1.143  1.553      98.007     11.693  0  0
    172 {?}    9.408  0.021  0.008 {?}  129.036  0.105  0.044 {?}    5.145  0.663  0.280     212.862     16.259  0  0
    173 {?}    8.777  0.021  0.008 {?}  129.222  0.105  0.044 {?}    5.135  0.663  0.280     188.832     16.259  0  0
    174 {?}    9.146  0.021  0.008 {?}  129.061  0.105  0.044 {?}    5.008  0.663  0.280     213.305     16.259  0  0
    175 {?}    9.409  0.036  0.081 {?}  129.055  0.106  0.113 {?}    4.926  1.121  1.194     366.008     13.131  0  0
    176 {?}    9.026  0.057  0.082 {?}  129.269  0.104  0.114 {?}    4.913  1.309  1.456     131.037     11.870  0  0
    177 {?}    9.411  0.047  0.094 {?}  129.045  0.143  0.280 {?}    4.757  0.884  1.880     295.364      3.117  0  0
    178 {158.H}    9.027  0.031  0.018 {158.N}  129.214  0.075  0.038 {116.HA}    4.747  1.173  0.598     144.733      2.562  0  0
    179 {?}    8.777  0.026  0.024 {?}  129.245  0.096  0.086 {?}    4.626  1.309  1.220     513.249      4.014  0  0
    180 {?}    9.410  0.023  0.011 {?}  129.056  0.097  0.027 {?}    4.586  1.321  0.355     212.338      5.080  0  0
    181 {?}    8.778  0.027  0.053 {?}  129.240  0.103  0.147 {?}    4.512  1.130  1.716     729.934      1.797  0  0
    182 {?}    8.776  0.024  0.041 {?}  129.252  0.093  0.174 {?}    4.384  1.050  1.771     492.032      1.692  0  0
    183 {155.H}    8.778  0.024  0.042 {155.N}  129.240  0.080  0.131 {156.HD3}    4.254  0.857  1.499     989.118      4.246  0  0
    184 {155.H}    8.778  0.024  0.045 {155.N}  129.245  0.098  0.220 {154.HA}    4.024  1.198  1.907    4360.208      1.851  0  0
    185 {?}    9.026  0.022  0.022 {?}  129.193  0.126  0.181 {?}    3.888  0.854  0.858     100.275      7.152  0  0
    186 {?}    9.405  0.022  0.022 {?}  129.042  0.126  0.181 {?}    3.786  0.854  0.858     227.769      7.152  0  0
    187 {?}    9.024  0.032  0.074 {?}  129.228  0.139  0.210 {?}    3.736  1.004  1.989     257.510      2.063  0  0
    188 {?}    9.154  0.026  0.037 {?}  129.031  0.120  0.172 {?}    3.672  1.035  1.551     179.219     26.349  0  0
    189 {?}    9.416  0.026  0.037 {?}  129.030  0.120  0.172 {?}    3.451  1.035  1.551     432.458     26.349  0  0
    190 {?}    9.411  0.026  0.037 {?}  129.001  0.120  0.172 {?}    3.305  1.035  1.551    1024.890     26.349  0  0
    191 {?}    9.026  0.027  0.049 {?}  129.185  0.188  0.277 {?}    3.001  0.990  1.779     133.022      4.399  0  0
    192 {?}    9.411  0.032  0.118 {?}  129.001  0.238  0.340 {?}    2.983  1.144  1.635     721.235      8.113  0  0
    193 {158.H}    9.026  0.026  0.037 {158.N}  129.262  0.178  0.303 {157.HG2}    2.688  0.976  1.680    1119.265      5.997  0  0
    194 {158.H}    9.025  0.027  0.070 {158.N}  129.267  0.131  0.238 {157.HG3}    2.270  0.967  2.015    3449.095     10.037  0  0
    195 {?}    8.778  0.015  0.045 {?}  129.241  0.192  0.274 {?}    2.215  0.887  1.260    3170.057     15.001  0  0
    196 {?}    9.025  0.015  0.045 {?}  129.272  0.192  0.274 {?}    2.149  0.887  1.260    1878.990     15.001  0  0
    197 {155.H}    8.778  0.028  0.030 {155.N}  129.243  0.193  0.201 {155.HB2}    2.014  1.532  1.659    5346.575      6.781  0  0
    198 {?}    9.025  0.037  0.052 {?}  129.269  0.126  0.142 {?}    1.983  0.982  1.117     726.712     21.607  0  0
    199 {158.H}    9.025  0.037  0.052 {158.N}  129.263  0.126  0.142 {158.HB}    1.826  0.982  1.117    2379.334     21.607  0  0
    200 {155.H}    8.779  0.037  0.052 {155.N}  129.224  0.126  0.142 {149.HB3}    1.819  0.982  1.117     425.312     21.607  0  0
    201 {?}    9.411  0.026  0.037 {?}  129.014  0.133  0.133 {?}    1.767  0.901  0.902     704.798      5.591  0  0
    202 {?}    9.148  0.045  0.088 {?}  128.999  0.130  0.115 {?}    1.720  0.970  0.862      64.363     12.140  0  0
    203 {158.H}    9.025  0.036  0.063 {158.N}  129.257  0.177  0.281 {158.HG12}    1.599  0.957  1.873    1829.186     53.865  0  0
    204 {?}    9.162  0.028  0.048 {?}  129.049  0.167  0.238 {?}    1.563  1.055  1.757      48.752      2.505  0  0
    205 {49.H 49.H}    9.408  0.051  0.029 {49.N 49.N}  129.044  0.131  0.092 {56.HB2 59.HG13}    1.176  1.031  0.699     508.515      9.836  0  0
    206 {158.H}    9.026  0.051  0.029 {158.N}  129.266  0.131  0.092 {158.HG13}    0.965  1.031  0.699    4367.120      9.836  0  0
    207 {?}    8.778  0.051  0.029 {?}  129.248  0.131  0.092 {?}    0.867  1.031  0.699    4619.303      9.836  0  0
    208 {?}    9.026  0.021  0.020 {?}  129.264  0.086  0.081 {?}    0.790  1.198  1.118    4307.340     20.003  0  0
    209 {43.H}    9.151  0.021  0.020 {43.N}  129.073  0.086  0.081 {44.HG23}    0.576  1.198  1.118     215.844     20.003  0  0
    210 {49.H}    9.411  0.021  0.020 {49.N}  128.991  0.086  0.081 {49.H}    9.415  1.198  1.118    6144.291     20.003  0  0
    211 {43.H}    9.152  0.028  0.016 {43.N}  128.984  0.097  0.041 {43.H}    9.148  1.045  0.448    3969.263     13.843  0  0
    212 {43.H}    9.152  0.028  0.016 {43.N}  128.986  0.097  0.041 {42.H}    8.692  1.045  0.448     958.896     13.843  0  0
    213 {?}    9.149  0.028  0.016 {?}  128.936  0.097  0.041 {?}    7.480  1.045  0.448      41.504     13.843  0  0
    214 {?}    9.411  0.025  0.030 {?}  128.974  0.052  0.168 {?}    7.128  0.908  1.129    1153.410      2.420  0  0
    215 {?}    9.151  0.039  0.043 {?}  128.985  0.104  0.112 {?}    7.126  0.995  1.073     934.558      5.378  0  0
    216 {?}    9.410  0.039  0.043 {?}  128.992  0.104  0.112 {?}    5.390  0.995  1.073     957.469      5.378  0  0
    217 {?}    9.410  0.022  0.024 {?}  128.973  0.131  0.142 {?}    5.280  1.065  1.191     627.852      3.405  0  0
    218 {?}    9.150  0.028  0.058 {?}  128.980  0.109  0.220 {?}    5.281  1.210  2.018     100.470      4.842  0  0
    219 {43.H}    9.153  0.026  0.029 {43.N}  128.991  0.109  0.123 {43.HA}    4.741  0.966  1.082      78.245      5.582  0  0
    220 {?}    9.148  0.026  0.037 {?}  128.922  0.132  0.176 {?}    4.594  1.026  2.243     149.896      6.564  0  0
    221 {?}    9.407  0.018  0.005 {?}  128.906  0.186  0.054 {?}    4.498  1.209  0.356     450.478      9.508  0  0
    222 {?}    9.152  0.018  0.005 {?}  128.978  0.186  0.054 {?}    4.368  1.209  0.356     845.299      9.508  0  0
    223 {?}    9.416  0.018  0.005 {?}  128.954  0.186  0.054 {?}    4.344  1.209  0.356     117.258      9.508  0  0
    224 {43.H}    9.151  0.018  0.005 {43.N}  128.977  0.186  0.054 {42.HA2}    4.267  1.209  0.356    1067.648      9.508  0  0
    225 {?}    9.407  0.018  0.005 {?}  128.974  0.186  0.054 {?}    3.969  1.209  0.356     182.669      9.508  0  0
    226 {?}    9.412  0.021  0.008 {?}  128.964  0.090  0.036 {?}    3.163  1.387  0.540     146.583     17.977  0  0
    227 {43.H}    9.152  0.021  0.008 {43.N}  128.981  0.090  0.036 {43.HB2}    3.127  1.387  0.540    3581.990     17.977  0  0
    228 {43.H}    9.152  0.021  0.008 {43.N}  128.971  0.090  0.036 {43.HB3}    2.959  1.387  0.540     755.572     17.977  0  0
    229 {49.H}    9.412  0.027  0.061 {49.N}  128.963  0.202  0.288 {48.HB3}    2.739  1.371  1.959     812.196     30.504  0  0
    230 {?}    9.412  0.027  0.061 {?}  128.971  0.202  0.288 {?}    2.616  1.371  1.959     446.054     30.504  0  0
    231 {?}    9.412  0.027  0.061 {?}  128.974  0.202  0.288 {?}    2.091  1.371  1.959     589.258     24.981  0  0
    232 {?}    9.411  0.027  0.061 {?}  128.979  0.202  0.288 {?}    1.934  1.371  1.959     871.841     24.981  0  0
    233 {49.H}    9.411  0.027  0.061 {49.N}  128.987  0.202  0.288 {49.HB3}    1.634  1.371  1.959    1591.116     48.067  0  0
    234 {49.H}    9.410  0.017  0.013 {49.N}  128.983  0.116  0.165 {49.HG}    1.458  1.261  1.020    2579.191     87.316  0  0
    235 {?}    9.154  0.017  0.013 {?}  128.973  0.116  0.165 {?}    1.136  1.261  1.020      35.457     14.676  0  0
    236 {?}    9.153  0.017  0.013 {?}  128.962  0.116  0.165 {?}    0.908  1.261  1.020    2818.916     14.676  0  0
    237 {?}    9.411  0.025  0.025 {?}  128.964  0.141  0.308 {?}    0.875  1.408  1.375    2212.741      2.984  0  0
    238 {?}    9.412  0.064  0.109 {?}  128.982  0.110  0.201 {?}    0.767  1.310  2.003    1560.353     33.692  0  0
    239 {49.H 49.H 49.H}    9.410  0.027  0.033 {49.N 49.N 49.N}  128.989  0.159  0.194 {49.HD11 49.HD12 49.HD13}    0.625  1.068  1.336    1393.618     23.349  0  0
    240 {49.H 49.H}    9.411  0.027  0.033 {49.N 49.N}  128.986  0.159  0.194 {49.HD21 49.HD22}    0.399  1.068  1.336    1089.891     23.349  0  0
    241 {?}    8.137  0.049  0.185 {?}  128.590  0.130  0.185 {?}    8.145  0.824  2.118      80.646     13.302  0  0
    242 {?}    7.745  0.024  0.040 {?}  128.487  0.135  0.193 {?}    7.742  1.052  1.646     118.333     20.144  0  0
    243 {68.H}    8.752  0.059  0.069 {68.N}  128.143  0.107  0.119 {161.HE1}    7.024  0.799  0.888      42.035    280.803  0  0
    244 {?}    8.756  0.059  0.069 {?}  128.137  0.107  0.119 {?}    3.304  0.799  0.888      20.467    280.803  0  0
    245 {?}    8.752  0.059  0.069 {?}  128.099  0.107  0.119 {?}    2.935  0.799  0.888    1312.127    280.803  0  0
    246 {?}    8.751  0.033  0.004 {?}  128.092  0.079  0.011 {?}    2.500  0.708  0.100    1196.490     22.266  0  0
    247 {?}    8.752  0.053  0.075 {?}  128.180  0.086  0.148 {?}    1.716  0.945  1.724     163.797    928.362  0  0
    248 {68.H}    8.752  0.053  0.075 {68.N}  128.115  0.086  0.148 {67.HB}    1.548  0.945  1.724     596.113    928.362  0  0
    249 {?}    8.753  0.053  0.075 {?}  128.071  0.086  0.148 {?}    1.133  0.945  1.724     231.352    928.362  0  0
    250 {68.H}    8.750  0.058  0.082 {68.N}  128.209  0.096  0.183 {69.HD22}    0.702  1.173  1.968     260.286    768.238  0  0
    251 {68.H 68.H}    8.753  0.058  0.082 {68.N 68.N}  128.098  0.096  0.183 {67.HG21 67.HG23}    0.507  1.173  1.968     949.594    768.238  0  0
    252 {?}    8.750  0.058  0.082 {?}  128.125  0.096  0.183 {?}    0.060  1.173  1.968     199.504    768.238  0  0
    253 {68.H}    8.750  0.058  0.082 {68.N}  128.094  0.096  0.183 {67.HG13}   -0.052  1.173  1.968     157.017    768.238  0  0
    254 {?}    8.360  0.058  0.082 {?}  127.944  0.096  0.183 {?}    9.337  1.173  1.968      90.537    768.238  0  0
    255 {?}    8.363  0.058  0.082 {?}  127.926  0.096  0.183 {?}    8.952  1.173  1.968     458.440    768.238  0  0
    256 {17.H}    8.364  0.058  0.082 {17.N}  127.910  0.096  0.183 {16.H}    8.715  1.173  1.968     616.031     63.761  0  0
    257 {?}    8.016  0.022  0.015 {?}  127.760  0.096  0.161 {?}    8.016  0.824  0.525    2054.788     24.377  0  0
    258 {?}    7.885  0.027  0.058 {?}  127.981  0.143  0.204 {?}    7.884  1.024  2.041    1337.001     46.910  0  0
    259 {?}    7.816  0.027  0.058 {?}  127.979  0.143  0.204 {?}    7.810  1.024  2.041     186.757     50.007  0  0
    260 {17.H}    8.364  0.027  0.058 {17.N}  127.908  0.143  0.204 {18.H}    7.728  1.024  2.041     745.686      5.398  0  0
    261 {68.H}    8.751  0.027  0.058 {68.N}  128.053  0.143  0.204 {161.HD1}    7.502  1.024  2.041      61.587    106.806  0  0
    262 {?}    8.361  0.027  0.058 {?}  127.909  0.143  0.204 {?}    7.406  1.024  2.041     299.779    197.558  0  0
    263 {?}    8.363  0.027  0.058 {?}  127.925  0.143  0.204 {?}    6.501  1.024  2.041     170.630    197.558  0  0
    264 {?}    8.364  0.027  0.058 {?}  127.922  0.143  0.204 {?}    5.184  1.024  2.041     170.044    197.558  0  0
    265 {?}    8.365  0.027  0.058 {?}  127.851  0.143  0.204 {?}    5.024  1.024  2.041     226.820    197.558  0  0
    266 {?}    8.366  0.027  0.058 {?}  127.939  0.143  0.204 {?}    4.610  1.024  2.041     228.391    197.558  0  0
    267 {?}    8.753  0.027  0.058 {?}  127.979  0.143  0.204 {?}    4.444  1.024  2.041     115.034    197.558  0  0
    268 {?}    8.364  0.037  0.052 {?}  127.877  0.192  0.275 {?}    4.158  1.358  1.940     387.338     25.117  0  0
    269 {?}    8.363  0.013  0.082 {?}  127.919  0.167  0.244 {?}    3.988  1.269  2.000    1286.620     14.317  0  0
    270 {17.H}    8.363  0.013  0.082 {17.N}  127.912  0.167  0.244 {16.HA}    3.757  1.269  2.000    4300.297     25.802  0  0
    271 {17.H}    8.362  0.013  0.082 {17.N}  128.007  0.167  0.244 {147.HD2}    3.232  1.269  2.000      41.258     25.802  0  0
    272 {17.H}    8.363  0.013  0.082 {17.N}  127.906  0.167  0.244 {17.HB2}    2.626  1.269  2.000    2848.435     25.802  0  0
    273 {?}    8.364  0.013  0.082 {?}  127.910  0.167  0.244 {?}    2.495  1.269  2.000    2549.726     25.802  0  0
    274 {?}    8.364  0.013  0.082 {?}  127.913  0.167  0.244 {?}    2.079  1.269  2.000     468.940     23.513  0  0
    275 {17.H}    8.363  0.013  0.082 {17.N}  127.933  0.167  0.244 {16.HB}    1.885  1.269  2.000     453.135      8.490  0  0
    276 {?}    8.363  0.013  0.082 {?}  127.913  0.167  0.244 {?}    1.030  1.269  2.000    1277.478      8.490  0  0
    277 {17.H 17.H}    8.364  0.032  0.064 {17.N 17.N}  127.921  0.125  0.179 {140.HG11 140.HG13}    0.762  0.945  1.836     200.573     19.162  0  0
    278 {67.H 67.H 67.H}    8.649  0.021  0.022 {67.N 67.N 67.N}  127.972  0.211  0.301 {67.HG21 67.HG22 67.HG23}    0.495  1.228  1.394      72.316     11.092  0  0
    279 {17.H 17.H}    8.364  0.027  0.061 {17.N 17.N}  127.914  0.116  0.166 {16.HG21 16.HG23}    0.189  0.904  1.704    2116.784      4.132  0  0
    280 {138.H}    9.538  0.014  0.040 {138.N}  127.227  0.075  0.206 {138.H}    9.542  0.742  0.986    5914.164      7.955  0  0
    281 {?}    9.539  0.024  0.044 {?}  127.225  0.135  0.274 {?}    9.177  1.082  1.828    1148.390     13.647  0  0
    282 {?}    9.536  0.029  0.054 {?}  127.295  0.112  0.236 {?}    9.040  1.033  1.643     231.990     15.075  0  0
    283 {?}    9.480  0.029  0.054 {?}  127.200  0.112  0.236 {?}    8.661  1.033  1.643       5.658     15.075  0  0
    284 {?}    7.991  0.029  0.054 {?}  127.292  0.112  0.236 {?}    7.993  1.033  1.643    3036.382     15.075  0  0
    285 {?}    7.954  0.047  0.052 {?}  127.280  0.182  0.206 {?}    7.957  0.922  1.030    1214.909     27.711  0  0
    286 {?}    9.539  0.065  0.107 {?}  127.240  0.098  0.143 {?}    7.259  1.479  2.013     519.827      4.779  0  0
    287 {?}    9.539  0.065  0.107 {?}  127.197  0.098  0.143 {?}    7.082  1.479  2.013     407.929      4.779  0  0
    288 {?}    9.537  0.050  0.072 {?}  127.238  0.085  0.110 {?}    6.925  1.051  1.342    1041.469      5.585  0  0
    289 {?}    9.537  0.027  0.067 {?}  127.186  0.099  0.215 {?}    6.534  1.039  1.694     166.854     11.756  0  0
    290 {?}    9.475  0.027  0.067 {?}  127.139  0.099  0.215 {?}    6.458  1.039  1.694     211.312     15.919  0  0
    291 {?}    9.537  0.027  0.067 {?}  127.165  0.099  0.215 {?}    5.799  1.039  1.694     204.763     29.156  0  0
    292 {?}    9.540  0.037  0.070 {?}  127.223  0.164  0.239 {?}    5.393  1.063  1.838     272.416     22.031  0  0
    293 {?}    9.539  0.030  0.029 {?}  127.218  0.117  0.167 {?}    5.170  1.001  0.962     895.542     20.929  0  0
    294 {?}    9.539  0.058  0.082 {?}  127.223  0.116  0.194 {?}    4.620  1.159  1.655     623.702      6.732  0  0
    295 {?}    9.538  0.035  0.040 {?}  127.198  0.112  0.142 {?}    4.288  1.566  1.769     381.872     20.397  0  0
    296 {138.H 138.H}    9.537  0.048  0.127 {138.N 138.N}  127.229  0.104  0.221 {137.HB 138.HB}    4.192  1.695  2.422     789.794     11.140  0  0
    297 {?}    9.538  0.074  0.105 {?}  127.154  0.117  0.194 {?}    2.729  1.291  2.217      22.241     16.888  0  0
    298 {?}    9.527  0.024  0.021 {?}  127.256  0.068  0.054 {?}    2.434  1.240  1.040     192.867     19.212  0  0
    299 {?}    9.536  0.024  0.021 {?}  127.216  0.068  0.054 {?}    2.145  1.240  1.040    1215.498     19.212  0  0
    300 {138.H}    9.537  0.024  0.021 {138.N}  127.232  0.068  0.054 {128.HB3}    1.991  1.240  1.040     803.407     19.212  0  0
    301 {?}    9.539  0.031  0.049 {?}  127.238  0.069  0.220 {?}    1.757  1.065  1.810     304.772     20.663  0  0
    302 {138.H}    9.538  0.025  0.018 {138.N}  127.219  0.117  0.207 {138.HG21}    1.361  1.328  0.999    2290.600     15.385  0  0
    303 {?}    9.538  0.051  0.109 {?}  127.227  0.102  0.189 {?}    1.126  1.249  1.966    3234.986     12.959  0  0
    304 {?}    9.533  0.051  0.109 {?}  127.152  0.102  0.189 {?}    0.961  1.249  1.966      63.925      2.539  0  0
    305 {?}    9.535  0.051  0.094 {?}  127.200  0.125  0.220 {?}    0.759  1.048  1.927     137.899      8.575  0  0
    306 {?}    9.469  0.032  0.047 {?}  127.188  0.060  0.206 {?}   -0.488  0.947  1.486     163.606      4.020  0  0
    307 {?}    8.887  0.024  0.059 {?}  127.366  0.192  0.274 {?}   -1.719  1.239  2.020      29.574      5.939  0  0
    308 {114.H}    7.684  0.023  0.026 {114.N}  126.863  0.140  0.175 {113.H}    9.899  0.985  1.160     221.796      4.098  0  0
    309 {159.H}    8.059  0.023  0.026 {159.N}  126.890  0.140  0.175 {119.H}    9.584  0.985  1.160     395.091      7.551  0  0
    310 {?}    9.474  0.031  0.042 {?}  127.084  0.136  0.182 {?}    9.480  1.035  1.413    7329.143     29.191  0  0
    311 {114.H}    7.685  0.027  0.053 {114.N}  126.891  0.134  0.298 {58.H}    9.286  0.968  1.870     466.393     15.005  0  0
    312 {138.H}    9.474  0.031  0.048 {138.N}  127.032  0.192  0.274 {137.H}    9.119  1.131  1.615     445.556      3.138  0  0
    313 {159.H}    8.061  0.031  0.048 {159.N}  126.855  0.192  0.274 {158.H}    9.024  1.131  1.615     334.943     15.011  0  0
    314 {114.H}    7.688  0.045  0.058 {114.N}  126.967  0.038  0.112 {57.H}    8.992  1.123  1.509     113.226      7.001  0  0
    315 {?}    9.469  0.045  0.058 {?}  127.077  0.038  0.112 {?}    8.987  1.123  1.509     138.188      3.656  0  0
    316 {114.H}    7.686  0.031  0.079 {114.N}  126.882  0.102  0.145 {115.H}    8.818  1.099  1.997     351.706     28.138  0  0
    317 {159.H}    8.060  0.031  0.079 {159.N}  126.883  0.102  0.145 {117.H}    8.788  1.099  1.997     783.130     44.861  0  0
    318 {159.H 159.H}    8.060  0.031  0.079 {159.N 159.N}  126.862  0.102  0.145 {160.H 167.H}    8.689  1.099  1.997     641.082     44.861  0  0
    319 {?}    9.474  0.031  0.079 {?}  127.103  0.102  0.145 {?}    8.269  1.099  1.997     926.872     44.861  0  0
    320 {114.H}    7.687  0.031  0.079 {114.N}  126.930  0.102  0.145 {55.HE22}    8.216  1.099  1.997     732.449     44.861  0  0
    321 {?}    9.475  0.047  0.067 {?}  127.081  0.039  0.175 {?}    8.149  1.066  2.043     969.583      9.139  0  0
    322 {?}    8.789  0.057  0.082 {?}  126.922  0.042  0.201 {?}    7.919  1.095  2.133      22.501     23.464  0  0
    323 {?}    8.060  0.057  0.082 {?}  126.869  0.042  0.201 {?}    7.833  1.095  2.133     186.691     36.193  0  0
    324 {?}    9.475  0.026  0.037 {?}  127.112  0.211  0.301 {?}    7.700  0.793  0.963     243.616     53.786  0  0
    325 {114.H}    7.687  0.026  0.037 {114.N}  126.915  0.211  0.301 {114.H}    7.685  0.793  0.963    3059.897     53.786  0  0
    326 {?}    8.060  0.026  0.037 {?}  126.853  0.211  0.301 {?}    7.489  0.793  0.963     329.634     53.786  0  0
    327 {?}    7.683  0.014  0.031 {?}  126.942  0.200  0.286 {?}    7.468  0.890  0.900     167.335      7.509  0  0
    328 {?}    7.688  0.014  0.031 {?}  126.915  0.200  0.286 {?}    7.276  0.890  0.900     328.606      7.509  0  0
    329 {?}    9.475  0.014  0.031 {?}  127.080  0.200  0.286 {?}    7.141  0.890  0.900    1287.069      7.509  0  0
    330 {?}    7.687  0.014  0.031 {?}  126.903  0.200  0.286 {?}    7.140  0.890  0.900     387.285      7.509  0  0
    331 {?}    8.794  0.051  0.127 {?}  126.828  0.063  0.301 {?}    7.032  0.824  2.589     281.948     32.356  0  0
    332 {?}    8.059  0.047  0.067 {?}  126.851  0.115  0.164 {?}    7.014  0.980  2.089     414.030      9.007  0  0
    333 {114.H}    7.686  0.047  0.067 {114.N}  126.915  0.115  0.164 {55.HE21}    6.947  0.980  2.089    1087.044      9.007  0  0
    334 {?}    8.065  0.047  0.067 {?}  126.912  0.115  0.164 {?}    6.791  0.980  2.089      75.801      9.007  0  0
    335 {?}    9.474  0.047  0.067 {?}  127.098  0.115  0.164 {?}    6.699  0.980  2.089    1743.796      9.007  0  0
    336 {?}    7.687  0.057  0.082 {?}  126.884  0.126  0.181 {?}    6.700  1.085  2.116     199.787     13.331  0  0
    337 {138.H 138.H}    9.474  0.057  0.082 {138.N 138.N}  127.069  0.126  0.181 {20.HA 139.HA}    5.473  1.085  2.116     235.193      6.008  0  0
    338 {?}    7.688  0.050  0.109 {?}  126.885  0.164  0.268 {?}    5.245  1.065  1.961     339.058      6.623  0  0
    339 {?}    9.478  0.028  0.035 {?}  127.083  0.088  0.278 {?}    5.084  1.128  1.546      92.511      6.122  0  0
    340 {?}    7.686  0.028  0.035 {?}  126.863  0.088  0.278 {?}    5.075  1.128  1.546     348.280     21.660  0  0
    341 {?}    8.059  0.031  0.055 {?}  126.859  0.106  0.274 {?}    4.987  0.904  1.522     266.932     19.765  0  0
    342 {?}    9.478  0.057  0.082 {?}  127.040  0.093  0.274 {?}    4.944  1.376  1.966     285.922      9.470  0  0
    343 {117.H}    8.789  0.057  0.082 {117.N}  126.900  0.093  0.274 {117.HA}    4.890  1.376  1.966      56.603      9.470  0  0
    344 {?}    7.691  0.057  0.082 {?}  126.945  0.093  0.274 {?}    4.874  1.376  1.966     358.554      9.470  0  0
    345 {?}    8.063  0.039  0.067 {?}  126.871  0.076  0.238 {?}    4.845  1.180  1.686     168.433     15.875  0  0
    346 {?}    9.474  0.039  0.067 {?}  127.119  0.076  0.238 {?}    4.726  1.180  1.686     192.384     16.815  0  0
    347 {?}    8.052  0.050  0.172 {?}  126.917  0.125  0.178 {?}    4.710  1.071  1.530      96.934      6.998  0  0
    348 {?}    7.689  0.028  0.074 {?}  126.867  0.109  0.156 {?}    4.684  0.958  2.159     319.202     11.013  0  0
    349 {?}    7.688  0.028  0.074 {?}  126.956  0.109  0.156 {?}    4.560  0.958  2.159     334.508     11.013  0  0
    350 {138.H}    9.463  0.028  0.074 {138.N}  127.090  0.109  0.156 {137.HA}    4.533  0.958  2.159      33.897      5.473  0  0
    351 {?}    8.064  0.028  0.074 {?}  126.857  0.109  0.156 {?}    4.433  0.958  2.159     204.763      5.473  0  0
    352 {?}    9.480  0.028  0.074 {?}  127.073  0.109  0.156 {?}    4.373  0.958  2.159      21.048     20.576  0  0
    353 {159.H}    8.060  0.028  0.074 {159.N}  126.826  0.109  0.156 {159.HA}    4.311  0.958  2.159     266.771     20.576  0  0
    354 {114.H}    7.686  0.027  0.067 {114.N}  126.892  0.187  0.267 {114.HA}    4.309  0.978  1.985     521.716     11.610  0  0
    355 {?}    8.675  0.027  0.067 {?}  127.047  0.187  0.267 {?}    4.113  0.978  1.985     322.230     11.610  0  0
    356 {?}    8.671  0.027  0.067 {?}  127.035  0.187  0.267 {?}    3.922  0.978  1.985     118.666     11.610  0  0
    357 {114.H}    7.687  0.030  0.024 {114.N}  126.904  0.103  0.069 {113.HA}    3.836  0.736  0.489    1725.212     77.759  0  0
    358 {159.H}    8.060  0.030  0.024 {159.N}  126.910  0.103  0.069 {119.HA}    3.774  0.736  0.489     159.199     77.759  0  0
    359 {?}    9.471  0.030  0.024 {?}  127.037  0.103  0.069 {?}    3.422  0.736  0.489     310.883     77.759  0  0
    360 {159.H}    8.063  0.031  0.034 {159.N}  127.019  0.114  0.141 {118.HB2}    3.191  0.347  0.950      57.267     40.773  0  0
    361 {?}    9.473  0.031  0.034 {?}  127.097  0.114  0.141 {?}    3.035  0.347  0.950    1514.040     40.773  0  0
    362 {?}    7.683  0.031  0.034 {?}  126.928  0.114  0.141 {?}    2.986  0.347  0.950     258.582     40.773  0  0
    363 {?}    8.053  0.029  0.054 {?}  126.886  0.127  0.301 {?}    2.682  0.883  2.053      43.091     29.495  0  0
    364 {114.H}    7.685  0.058  0.082 {114.N}  126.929  0.146  0.259 {114.HD2}    2.660  0.482  1.514     480.814     28.029  0  0
    365 {?}    9.474  0.058  0.082 {?}  127.103  0.146  0.259 {?}    2.594  0.482  1.514     976.777     28.029  0  0
    366 {?}    8.053  0.058  0.082 {?}  126.932  0.146  0.259 {?}    2.526  0.482  1.514      10.808     28.029  0  0
    367 {114.H}    7.682  0.058  0.082 {114.N}  126.910  0.146  0.259 {55.HB2}    2.427  0.482  1.514      29.931     28.029  0  0
    368 {?}    9.475  0.058  0.082 {?}  127.078  0.146  0.259 {?}    2.412  0.482  1.514    1043.915     28.029  0  0
    369 {?}    8.061  0.058  0.082 {?}  126.839  0.146  0.259 {?}    2.279  0.482  1.514     936.335     28.029  0  0
    370 {114.H}    7.687  0.058  0.082 {114.N}  126.898  0.146  0.259 {114.HD3}    2.247  0.482  1.514     744.718     28.029  0  0
    371 {?}    8.060  0.027  0.083 {?}  126.837  0.128  0.300 {?}    2.129  0.511  1.605     746.679     51.462  0  0
    372 {?}    7.686  0.027  0.083 {?}  126.901  0.128  0.300 {?}    2.073  0.511  1.605    1648.811     51.462  0  0
    373 {?}    9.474  0.040  0.067 {?}  127.101  0.211  0.301 {?}    2.049  1.086  1.552    2361.578     64.455  0  0
    374 {?}    8.062  0.040  0.067 {?}  126.872  0.211  0.301 {?}    2.019  1.086  1.552    1041.458     64.455  0  0
    375 {?}    9.474  0.040  0.067 {?}  127.071  0.211  0.301 {?}    1.798  1.086  1.552    1396.586     64.455  0  0
    376 {159.H}    8.059  0.040  0.067 {159.N}  126.862  0.211  0.301 {158.HB}    1.819  1.086  1.552    1498.295     64.455  0  0
    377 {?}    7.687  0.040  0.067 {?}  126.890  0.211  0.301 {?}    1.803  1.086  1.552     459.150     64.455  0  0
    378 {?}    8.060  0.040  0.067 {?}  126.872  0.211  0.301 {?}    1.607  1.086  1.552    2122.898     64.455  0  0
    379 {?}    9.474  0.040  0.067 {?}  127.092  0.211  0.301 {?}    1.256  1.086  1.552    1147.798      7.194  0  0
    380 {114.H}    7.686  0.040  0.067 {114.N}  126.903  0.211  0.301 {114.HB2}    1.250  1.086  1.552    3116.447     26.195  0  0
    381 {159.H}    8.060  0.040  0.067 {159.N}  126.816  0.211  0.301 {116.HG11}    1.172  1.086  1.552     409.982     14.871  0  0
    382 {?}    7.687  0.040  0.067 {?}  126.912  0.211  0.301 {?}    1.147  1.086  1.552    2765.505     14.871  0  0
    383 {?}    8.676  0.040  0.067 {?}  127.021  0.211  0.301 {?}    1.131  1.086  1.552     502.716     14.871  0  0
    384 {?}    8.060  0.033  0.082 {?}  126.854  0.102  0.146 {?}    0.953  1.532  2.188    5679.173     21.148  0  0
    385 {114.H}    7.687  0.058  0.082 {114.N}  126.906  0.191  0.272 {113.HG13}    0.810  1.182  2.122    3489.525     24.185  0  0
    386 {?}    9.474  0.031  0.052 {?}  127.080  0.126  0.181 {?}    0.765  0.894  1.957     460.402     28.762  0  0
    387 {159.H}    8.060  0.047  0.067 {159.N}  126.851  0.080  0.250 {158.HG22}    0.752  0.976  2.062    5031.209     66.946  0  0
    388 {?}    9.474  0.029  0.071 {?}  127.079  0.150  0.214 {?}    0.596  0.930  1.944     599.391     67.526  0  0
    389 {114.H}    7.686  0.064  0.110 {114.N}  126.899  0.086  0.231 {114.HB3}    0.553  1.171  1.673    1075.731   1364.909  0  0
    390 {?}    8.061  0.064  0.110 {?}  126.851  0.086  0.231 {?}    0.498  1.171  1.673    1779.182     81.417  0  0
    391 {?}    9.474  0.064  0.110 {?}  127.079  0.086  0.231 {?}    0.356  1.171  1.673     790.120      7.125  0  0
    392 {?}    8.786  0.028  0.094 {?}  126.825  0.113  0.192 {?}   -0.419  1.035  1.478       5.404   1606.991  0  0
    393 {?}    8.060  0.028  0.094 {?}  126.860  0.113  0.192 {?}   -0.399  1.035  1.478     943.716   1606.991  0  0
    394 {22.H}    8.540  0.028  0.094 {22.N}  126.556  0.113  0.192 {21.H}    9.301  1.035  1.478     457.327   1606.991  0  0
    395 {117.H}    8.795  0.028  0.094 {117.N}  126.774  0.113  0.192 {116.H}    9.195  1.035  1.478      83.842   1606.991  0  0
    396 {22.H}    8.541  0.028  0.094 {22.N}  126.588  0.113  0.192 {137.H}    9.163  1.035  1.478     208.466   1606.991  0  0
    397 {117.H}    8.796  0.028  0.094 {117.N}  126.728  0.113  0.192 {158.H}    9.024  1.035  1.478      31.678   1606.991  0  0
    398 {117.H}    8.794  0.028  0.094 {117.N}  126.746  0.113  0.192 {117.H}    8.799  1.035  1.478    4750.003   1482.797  0  0
    399 {22.H}    8.540  0.028  0.094 {22.N}  126.550  0.113  0.192 {22.H}    8.550  1.035  1.478    7758.983   1482.797  0  0
    400 {117.H}    8.795  0.028  0.094 {117.N}  126.745  0.113  0.192 {157.H}    8.405  1.035  1.478     830.178   1482.797  0  0
    401 {?}    8.677  0.028  0.094 {?}  126.548  0.113  0.192 {?}    8.357  1.035  1.478      33.412   1482.797  0  0
    402 {117.H}    8.794  0.028  0.094 {117.N}  126.743  0.113  0.192 {118.H}    8.190  1.035  1.478     336.324   1482.797  0  0
    403 {117.H}    8.793  0.028  0.094 {117.N}  126.772  0.113  0.192 {159.H}    8.069  1.035  1.478     584.644   1482.797  0  0
    404 {159.H}    8.054  0.028  0.094 {159.N}  126.715  0.113  0.192 {159.H}    8.057  1.035  1.478    6718.257   1482.797  0  0
    405 {22.H}    8.540  0.028  0.094 {22.N}  126.557  0.113  0.192 {23.H}    7.941  1.035  1.478     558.367   1482.797  0  0
    406 {?}    7.780  0.028  0.094 {?}  126.751  0.113  0.192 {?}    7.771  1.035  1.478      80.258   1482.797  0  0
    407 {?}    8.792  0.028  0.094 {?}  126.732  0.113  0.192 {?}    7.498  1.035  1.478     177.713   1482.797  0  0
    408 {?}    8.541  0.028  0.094 {?}  126.563  0.113  0.192 {?}    7.309  1.035  1.478      96.584   1482.797  0  0
    409 {?}    8.794  0.028  0.094 {?}  126.736  0.113  0.192 {?}    6.821  1.035  1.478     103.845   1482.797  0  0
    410 {?}    8.540  0.028  0.094 {?}  126.553  0.113  0.192 {?}    6.629  1.035  1.478     101.022    389.525  0  0
    411 {?}    8.793  0.028  0.094 {?}  126.774  0.113  0.192 {?}    5.875  1.035  1.478      73.408    389.525  0  0
    412 {?}    8.545  0.028  0.094 {?}  126.625  0.113  0.192 {?}    5.335  1.035  1.478       5.463    389.525  0  0
    413 {?}    8.538  0.028  0.094 {?}  126.671  0.113  0.192 {?}    5.207  1.035  1.478      41.520    389.525  0  0
    414 {?}    8.788  0.028  0.094 {?}  126.763  0.113  0.192 {?}    5.011  1.035  1.478      60.472    389.525  0  0
    415 {?}    8.540  0.028  0.094 {?}  126.591  0.113  0.192 {?}    4.772  1.035  1.478     365.168    389.525  0  0
    416 {117.H}    8.791  0.028  0.094 {117.N}  126.720  0.113  0.192 {156.HA}    4.715  1.035  1.478      79.800    389.525  0  0
    417 {?}    8.542  0.028  0.094 {?}  126.612  0.113  0.192 {?}    3.861  1.035  1.478     138.425    389.525  0  0
    418 {?}    8.788  0.028  0.094 {?}  126.719  0.113  0.192 {?}    3.165  1.035  1.478     104.650    389.525  0  0
    419 {?}    8.792  0.028  0.094 {?}  126.713  0.113  0.192 {?}    2.972  1.035  1.478      31.496    389.525  0  0
    420 {22.H}    8.540  0.028  0.094 {22.N}  126.530  0.113  0.192 {23.HB3}    2.978  1.035  1.478     216.549    389.525  0  0
    421 {?}    8.052  0.028  0.094 {?}  126.706  0.113  0.192 {?}    2.981  1.035  1.478     100.231    389.525  0  0
    422 {?}    8.795  0.028  0.094 {?}  126.792  0.113  0.192 {?}    2.680  1.035  1.478      90.123    342.678  0  0
    423 {22.H}    8.540  0.028  0.094 {22.N}  126.553  0.113  0.192 {22.HB2}    2.694  1.035  1.478    2657.433    342.678  0  0
    424 {?}    8.540  0.028  0.094 {?}  126.546  0.113  0.192 {?}    2.524  1.035  1.478    2828.947    342.678  0  0
    425 {?}    8.793  0.028  0.094 {?}  126.765  0.113  0.192 {?}    2.272  1.035  1.478    1415.350    342.678  0  0
    426 {?}    8.793  0.028  0.094 {?}  126.753  0.113  0.192 {?}    2.138  1.035  1.478    1954.334    342.678  0  0
    427 {?}    8.540  0.028  0.094 {?}  126.555  0.113  0.192 {?}    2.087  1.035  1.478    1329.962    342.678  0  0
    428 {?}    8.793  0.028  0.094 {?}  126.797  0.113  0.192 {?}    1.943  1.035  1.478     419.979    342.678  0  0
    429 {22.H}    8.540  0.028  0.094 {22.N}  126.541  0.113  0.192 {21.HB3}    1.744  1.035  1.478    2235.648    342.678  0  0
    430 {?}    8.794  0.028  0.094 {?}  126.766  0.113  0.192 {?}    1.619  1.035  1.478    2432.947    342.678  0  0
    431 {?}    8.540  0.049  0.097 {?}  126.540  0.178  0.255 {?}    1.247  1.224  1.749    1037.075     55.787  0  0
    432 {117.H}    8.795  0.028  0.082 {117.N}  126.756  0.155  0.221 {116.HG11}    1.195  1.167  1.881    1490.331     14.653  0  0
    433 {?}    8.540  0.028  0.082 {?}  126.552  0.155  0.221 {?}    1.095  1.167  1.881    4380.172     32.683  0  0
    434 {?}    8.794  0.028  0.082 {?}  126.753  0.155  0.221 {?}    0.909  1.167  1.881    6307.555     31.973  0  0
    435 {?}    8.793  0.028  0.082 {?}  126.764  0.155  0.221 {?}    0.497  1.167  1.881     464.605     68.869  0  0
    436 {61.H}    9.100  0.028  0.082 {61.N}  126.339  0.155  0.221 {47.H}    9.715  1.167  1.881     116.255     68.869  0  0
    437 {?}    9.123  0.050  0.115 {?}  126.187  0.091  0.267 {?}    9.467  1.116  1.594      72.912      3.031  0  0
    438 {160.H}    8.682  0.026  0.053 {160.N}  126.341  0.160  0.248 {161.H}    9.248  0.969  1.954     114.543      5.459  0  0
    439 {51.H 61.H}    9.107  0.026  0.053 {51.N 61.N}  126.278  0.160  0.248 {51.H 61.H}    9.108  0.969  1.954   10994.300      5.459  0  0
    440 {?}    9.105  0.031  0.082 {?}  126.293  0.077  0.174 {?}    8.868  1.273  1.819    1666.927     25.248  0  0
    441 {51.H}    9.109  0.031  0.082 {51.N}  126.275  0.077  0.174 {50.H}    8.652  1.273  1.819     935.848     25.248  0  0
    442 {?}    9.112  0.039  0.067 {?}  126.249  0.091  0.131 {?}    8.482  1.295  1.850     111.263      3.655  0  0
    443 {51.H}    9.114  0.039  0.067 {51.N}  126.238  0.091  0.131 {55.H}    8.285  1.295  1.850    1464.180      2.659  0  0
    444 {51.H}    9.114  0.039  0.067 {51.N}  126.245  0.091  0.131 {54.H}    8.165  1.295  1.850    1178.740      2.533  0  0
    445 {160.H}    8.679  0.039  0.067 {160.N}  126.367  0.091  0.131 {159.H}    8.061  1.295  1.850     224.087      1.861  0  0
    446 {51.H}    9.120  0.029  0.077 {51.N}  126.204  0.152  0.217 {82.H}    7.986  1.120  2.006     134.133      3.430  0  0
    447 {160.H}    8.679  0.026  0.375 {160.N}  126.400  0.099  0.141 {165.H}    7.611  1.125  2.015    1023.469     10.682  0  0
    448 {?}    9.100  0.026  0.037 {?}  126.298  0.108  0.154 {?}    7.435  0.830  2.306     885.452      6.857  0  0
    449 {?}    9.117  0.053  0.132 {?}  126.233  0.085  0.225 {?}    7.181  1.189  1.930      72.136      2.826  0  0
    450 {?}    9.100  0.024  0.035 {?}  126.288  0.206  0.294 {?}    7.012  0.991  1.656     586.745     10.841  0  0
    451 {?}    8.682  0.039  0.262 {?}  126.348  0.138  0.268 {?}    7.014  1.030  2.099      82.188      8.439  0  0
    452 {?}    8.679  0.026  0.037 {?}  126.435  0.123  0.175 {?}    6.851  1.197  1.871      44.606     15.088  0  0
    453 {?}    9.119  0.033  0.048 {?}  126.207  0.122  0.124 {?}    6.699  0.571  1.284     602.797     30.151  0  0
    454 {?}    8.676  0.033  0.048 {?}  126.409  0.122  0.124 {?}    6.382  0.571  1.284      29.407     30.151  0  0
    455 {?}    9.101  0.033  0.048 {?}  126.294  0.122  0.124 {?}    6.164  0.571  1.284     778.225     30.151  0  0
    456 {?}    8.674  0.033  0.048 {?}  126.378  0.122  0.124 {?}    6.120  0.571  1.284      31.116     30.151  0  0
    457 {?}    9.101  0.033  0.048 {?}  126.323  0.122  0.124 {?}    5.370  0.571  1.284     984.394     34.400  0  0
    458 {?}    8.681  0.033  0.048 {?}  126.441  0.122  0.124 {?}    5.329  0.571  1.284      50.266     34.400  0  0
    459 {?}    9.107  0.033  0.048 {?}  126.278  0.122  0.124 {?}    5.052  0.571  1.284    1502.200      2.272  0  0
    460 {?}    8.676  0.058  0.089 {?}  126.275  0.069  0.108 {?}    4.950  1.168  1.748      45.905      7.020  0  0
    461 {?}    8.677  0.058  0.089 {?}  126.329  0.069  0.108 {?}    4.652  1.168  1.748     480.485      7.020  0  0
    462 {?}    9.107  0.058  0.089 {?}  126.276  0.069  0.108 {?}    4.633  1.168  1.748    1644.816      7.020  0  0
    463 {?}    8.675  0.050  0.101 {?}  126.358  0.116  0.214 {?}    4.424  1.138  2.054    1108.142     49.649  0  0
    464 {?}    9.104  0.050  0.101 {?}  126.212  0.116  0.214 {?}    4.409  1.138  2.054    1269.090     49.649  0  0
    465 {160.H}    8.679  0.050  0.101 {160.N}  126.431  0.116  0.214 {159.HA}    4.318  1.138  2.054     737.371     49.649  0  0
    466 {61.H}    9.100  0.026  0.037 {61.N}  126.306  0.111  0.204 {60.HB2}    4.101  1.153  1.857    1165.440     32.600  0  0
    467 {61.H}    9.104  0.026  0.037 {61.N}  126.290  0.111  0.204 {60.HB3}    3.910  1.153  1.857     239.196     32.600  0  0
    468 {?}    8.540  0.026  0.037 {?}  126.413  0.111  0.204 {?}    3.606  1.153  1.857      38.570     32.600  0  0
    469 {?}    9.114  0.084  0.197 {?}  126.233  0.047  0.211 {?}    3.430  0.929  2.025    1076.958     14.882  0  0
    470 {?}    8.540  0.084  0.197 {?}  126.384  0.047  0.211 {?}    3.342  0.929  2.025      22.762   1853.919  0  0
    471 {?}    9.105  0.084  0.197 {?}  126.293  0.047  0.211 {?}    3.184  0.929  2.025    1432.388   1853.919  0  0
    472 {?}    8.542  0.084  0.197 {?}  126.478  0.047  0.211 {?}    3.158  0.929  2.025     391.267   1853.919  0  0
    473 {51.H}    9.119  0.084  0.197 {51.N}  126.203  0.047  0.211 {51.HB2}    3.013  0.929  2.025    1128.967    119.694  0  0
    474 {160.H}    8.679  0.084  0.197 {160.N}  126.333  0.047  0.211 {160.HB2}    2.980  0.929  2.025    1271.986    119.694  0  0
    475 {51.H}    9.116  0.020  0.074 {51.N}  126.238  0.121  0.246 {51.HB3}    2.592  1.162  2.043    1362.446      1.881  0  0
    476 {?}    8.680  0.020  0.074 {?}  126.346  0.121  0.246 {?}    2.358  1.162  2.043    1400.556    297.778  0  0
    477 {?}    9.107  0.020  0.074 {?}  126.284  0.121  0.246 {?}    2.327  1.162  2.043     669.729    297.778  0  0
    478 {?}    8.678  0.020  0.074 {?}  126.349  0.121  0.246 {?}    2.152  1.162  2.043     754.870    297.778  0  0
    479 {?}    9.110  0.020  0.074 {?}  126.251  0.121  0.246 {?}    2.101  1.162  2.043    1937.055     23.525  0  0
    480 {?}    8.677  0.017  0.023 {?}  126.302  0.032  0.043 {?}    2.022  1.125  1.552     837.231      1.931  0  0
    481 {?}    9.104  0.026  0.082 {?}  126.256  0.118  0.289 {?}    1.895  1.003  1.958    1128.931      4.367  0  0
    482 {?}    9.114  0.026  0.082 {?}  126.246  0.118  0.289 {?}    1.684  1.003  1.958    4340.327     17.788  0  0
    483 {?}    9.253  0.026  0.082 {?}  126.234  0.118  0.289 {?}    1.195  1.003  1.958     152.644     13.923  0  0
    484 {?}    8.680  0.026  0.082 {?}  126.440  0.118  0.289 {?}    1.212  1.003  1.958     393.051     18.508  0  0
    485 {?}    9.104  0.026  0.082 {?}  126.294  0.118  0.289 {?}    1.151  1.003  1.958    6293.680     28.672  0  0
    486 {?}    8.679  0.026  0.082 {?}  126.368  0.118  0.289 {?}    0.933  1.003  1.958    6333.595     16.426  0  0
    487 {?}    9.101  0.063  0.085 {?}  126.305  0.072  0.098 {?}    0.879  0.698  2.105    4317.229     13.187  0  0
    488 {?}    8.680  0.063  0.085 {?}  126.342  0.072  0.098 {?}    0.789  0.698  2.105    2223.021     13.187  0  0
    489 {?}    9.110  0.063  0.085 {?}  126.256  0.072  0.098 {?}    0.774  0.698  2.105    2519.350     17.065  0  0
    490 {?}    9.104  0.063  0.085 {?}  126.298  0.072  0.098 {?}    0.572  0.698  2.105    1027.693     27.008  0  0
    491 {?}    8.681  0.033  0.057 {?}  126.355  0.153  0.213 {?}    0.501  0.901  1.687    1488.351      9.547  0  0
    492 {?}    9.120  0.022  0.014 {?}  126.212  0.048  0.033 {?}    0.359  1.028  0.702     510.062      7.148  0  0
    493 {61.H}    9.098  0.033  0.072 {61.N}  126.285  0.092  0.232 {67.HD12}    0.067  0.993  2.132     116.091     13.170  0  0
    494 {160.H}    8.680  0.020  0.006 {160.N}  126.363  0.107  0.031 {159.HG13}   -0.400  0.938  0.273    1187.601      5.511  0  0
    495 {161.H}    9.251  0.020  0.030 {161.N}  126.168  0.098  0.188 {119.H}    9.584  1.005  1.764      80.973      2.116  0  0
    496 {161.H}    9.255  0.029  0.060 {161.N}  126.077  0.100  0.104 {161.H}    9.254  0.846  0.885    5268.768      8.353  0  0
    497 {161.H}    9.255  0.029  0.060 {161.N}  126.102  0.100  0.104 {160.H}    8.697  0.846  0.885     302.622      8.353  0  0
    498 {81.H 160.H}    8.669  0.029  0.060 {81.N 160.N}  126.146  0.100  0.104 {81.H 160.H}    8.677  0.846  0.885    6166.545      8.353  0  0
    499 {161.H}    9.255  0.037  0.052 {161.N}  126.101  0.163  0.119 {162.H}    8.339  0.883  0.610    1391.740      3.642  0  0
    500 {81.H}    8.666  0.023  0.040 {81.N}  126.036  0.102  0.210 {82.H}    7.965  1.042  1.845     612.993      2.895  0  0
    501 {?}    7.956  0.029  0.017 {?}  126.052  0.141  0.038 {?}    7.956  0.714  0.179     616.018      4.426  0  0
    502 {161.H}    9.254  0.044  0.018 {161.N}  126.054  0.170  0.111 {164.H}    7.913  1.199  0.576      76.312     15.432  0  0
    503 {?}    8.660  0.026  0.050 {?}  126.051  0.168  0.239 {?}    7.735  1.036  1.913     183.654      2.850  0  0
    504 {51.H}    9.117  0.026  0.050 {51.N}  126.172  0.168  0.239 {52.H}    7.687  1.036  1.913     413.722      2.850  0  0
    505 {161.H}    9.254  0.028  0.012 {161.N}  126.110  0.100  0.143 {163.H}    7.667  1.813  0.689     359.743      5.697  0  0
    506 {161.H}    9.254  0.028  0.012 {161.N}  126.089  0.100  0.143 {161.HD1}    7.497  1.813  0.689    1478.742      5.697  0  0
    507 {?}    8.662  0.025  0.040 {?}  126.006  0.131  0.187 {?}    7.401  0.868  1.769     231.836      9.071  0  0
    508 {?}    9.254  0.020  0.026 {?}  126.092  0.039  0.030 {?}    7.016  1.402  0.449     401.180      3.653  0  0
    509 {?}    8.669  0.020  0.026 {?}  125.996  0.039  0.030 {?}    6.529  1.402  0.449     120.455      3.653  0  0
    510 {?}    8.133  0.030  0.052 {?}  126.023  0.217  0.310 {?}    6.191  0.890  1.551       9.815      3.599  0  0
    511 {?}    8.664  0.023  0.029 {?}  126.050  0.196  0.280 {?}    5.464  0.839  1.090     330.326     10.322  0  0
    512 {?}    8.671  0.023  0.016 {?}  126.181  0.112  0.071 {?}    5.173  1.146  0.722      70.531      8.698  0  0
    513 {161.H}    9.257  0.023  0.016 {161.N}  126.109  0.112  0.071 {160.HA}    4.859  1.146  0.722     139.394      8.698  0  0
    514 {161.H}    9.257  0.023  0.016 {161.N}  126.080  0.112  0.071 {159.HA}    4.257  1.146  0.722     158.386      8.698  0  0
    515 {161.H}    9.256  0.025  0.042 {161.N}  126.048  0.126  0.214 {161.HA}    4.139  0.789  1.816     470.184      8.968  0  0
    516 {?}    8.666  0.025  0.042 {?}  125.937  0.126  0.214 {?}    3.754  0.789  1.816      28.576      8.968  0  0
    517 {?}    8.665  0.025  0.042 {?}  125.928  0.126  0.214 {?}    3.386  0.789  1.816     366.088      8.968  0  0
    518 {161.H}    9.255  0.028  0.015 {161.N}  126.090  0.126  0.070 {161.HB2}    3.334  1.625  0.972    1141.241     63.308  0  0
    519 {81.H}    8.664  0.028  0.015 {81.N}  125.983  0.126  0.070 {80.HA}    3.144  1.625  0.972    2466.690     63.308  0  0
    520 {161.H}    9.256  0.028  0.015 {161.N}  126.075  0.126  0.070 {161.HB3}    2.863  1.625  0.972    1124.380     63.308  0  0
    521 {?}    9.261  0.032  0.055 {?}  126.031  0.157  0.236 {?}    2.351  1.063  1.913     278.005     27.892  0  0
    522 {?}    9.257  0.032  0.055 {?}  126.029  0.157  0.236 {?}    2.031  1.063  1.913     771.855     27.892  0  0
    523 {81.H}    8.664  0.025  0.044 {81.N}  125.976  0.167  0.240 {81.HB2}    1.703  0.846  1.805    3285.201     14.545  0  0
    524 {?}    9.254  0.034  0.083 {?}  126.070  0.142  0.327 {?}    1.566  1.182  2.089    2206.767      7.779  0  0
    525 {81.H}    8.666  0.024  0.054 {81.N}  126.048  0.166  0.310 {80.HB2}    1.508  1.027  2.065    2059.836      9.079  0  0
    526 {?}    8.665  0.025  0.052 {?}  125.976  0.151  0.242 {?}    1.387  0.776  1.108    1294.508     15.929  0  0
    527 {?}    9.254  0.013  0.034 {?}  126.068  0.087  0.113 {?}    0.932  1.046  1.561    3516.929     17.743  0  0
    528 {?}    8.664  0.034  0.077 {?}  125.996  0.175  0.301 {?}    0.616  1.117  2.081    3751.347      9.964  0  0
    529 {?}    8.661  0.025  0.034 {?}  125.898  0.096  0.132 {?}    0.360  1.015  1.431     634.578      3.888  0  0
    530 {161.H 161.H}    9.253  0.028  0.063 {161.N 161.N}  126.124  0.100  0.186 {159.HG12 159.HG13}   -0.405  0.967  1.823     182.393     14.471  0  0
    531 {?}    8.126  0.028  0.063 {?}  125.686  0.100  0.186 {?}    9.480  0.967  1.823      76.945     14.471  0  0
    532 {56.H}    8.122  0.028  0.063 {56.N}  125.710  0.100  0.186 {57.H}    8.983  0.967  1.823     160.623     14.471  0  0
    533 {56.H}    8.123  0.025  0.027 {56.N}  125.694  0.093  0.104 {56.H}    8.134  0.962  1.077    4939.046     24.093  0  0
    534 {56.H}    8.121  0.024  0.011 {56.N}  125.677  0.116  0.056 {114.H}    7.683  1.019  0.489     188.195      7.216  0  0
    535 {?}    8.122  0.026  0.019 {?}  125.665  0.166  0.107 {?}    7.162  0.792  1.362      85.812      8.812  0  0
    536 {?}    8.124  0.032  0.031 {?}  125.690  0.152  0.151 {?}    6.951  1.009  0.982     955.880     18.855  0  0
    537 {?}    8.125  0.032  0.031 {?}  125.760  0.152  0.151 {?}    6.698  1.009  0.982     236.015     18.855  0  0
    538 {?}    8.121  0.032  0.031 {?}  125.681  0.152  0.151 {?}    5.046  1.009  0.982     205.954     18.855  0  0
    539 {?}    8.126  0.032  0.031 {?}  125.670  0.152  0.151 {?}    4.904  1.009  0.982     302.180     18.855  0  0
    540 {?}    8.114  0.023  0.020 {?}  125.774  0.035  0.064 {?}    4.787  1.006  0.836     248.672     13.873  0  0
    541 {?}    8.124  0.023  0.020 {?}  125.656  0.035  0.064 {?}    4.519  1.006  0.836     420.228     13.873  0  0
    542 {56.H}    8.123  0.023  0.020 {56.N}  125.679  0.035  0.064 {55.HA}    4.269  1.006  0.836     928.471     13.873  0  0
    543 {?}    9.416  0.030  0.063 {?}  125.560  0.163  0.253 {?}    4.119  1.140  1.967      39.753      7.397  0  0
    544 {56.H}    8.118  0.026  0.037 {56.N}  125.604  0.197  0.123 {113.HA}    3.840  0.811  0.434      15.959      9.525  0  0
    545 {56.H}    8.124  0.017  0.024 {56.N}  125.699  0.113  0.061 {55.HB2}    2.413  1.367  0.709     670.932      5.608  0  0
    546 {56.H}    8.124  0.035  0.059 {56.N}  125.685  0.126  0.181 {55.HB3}    2.067  1.129  1.700    2480.002     17.168  0  0
    547 {?}    8.124  0.035  0.059 {?}  125.691  0.126  0.181 {?}    1.937  1.129  1.700    2096.128     17.168  0  0
    548 {?}    8.125  0.035  0.059 {?}  125.683  0.126  0.181 {?}    1.260  1.129  1.700     869.829     17.168  0  0
    549 {?}    8.124  0.025  0.067 {?}  125.695  0.089  0.223 {?}    1.121  1.106  1.993    1709.819     31.985  0  0
    550 {?}    8.123  0.025  0.067 {?}  125.704  0.089  0.223 {?}    1.010  1.106  1.993    1785.322     31.985  0  0
    551 {56.H 56.H 56.H}    8.123  0.025  0.067 {56.N 56.N 56.N}  125.698  0.089  0.223 {56.HD21 56.HD22 56.HD23}    0.769  1.106  1.993    1745.831     31.985  0  0
    552 {48.H}    9.415  0.020  0.012 {48.N}  125.405  0.221  0.107 {47.H}    9.712  1.119  0.449     263.668     14.089  0  0
    553 {59.H}    9.313  0.026  0.037 {59.N}  125.420  0.100  0.055 {47.H}    9.714  1.094  0.600     533.341     28.629  0  0
    554 {48.H}    9.418  0.027  0.074 {48.N}  125.376  0.180  0.257 {48.H}    9.420  1.044  2.036    5360.707     41.289  0  0
    555 {59.H}    9.312  0.027  0.074 {59.N}  125.417  0.180  0.257 {59.H}    9.309  1.044  2.036    5525.927      5.743  0  0
    556 {?}    9.311  0.028  0.010 {?}  125.415  0.103  0.027 {?}    9.016  0.881  0.230     162.298     31.016  0  0
    557 {59.H}    9.311  0.028  0.010 {59.N}  125.370  0.103  0.027 {60.H}    8.824  0.881  0.230     421.118      5.022  0  0
    558 {?}    7.674  0.028  0.010 {?}  125.452  0.103  0.027 {?}    7.672  0.881  0.230     144.792      7.881  0  0
    559 {?}    9.420  0.028  0.010 {?}  125.366  0.103  0.027 {?}    7.479  0.881  0.230     438.653     38.571  0  0
    560 {?}    9.419  0.028  0.010 {?}  125.395  0.103  0.027 {?}    7.371  0.881  0.230     268.596     38.571  0  0
    561 {48.H 48.H}    9.417  0.028  0.010 {48.N 48.N}  125.380  0.103  0.027 {48.HD1 48.HD2}    7.126  0.881  0.230    1282.874     38.571  0  0
    562 {?}    9.311  0.028  0.010 {?}  125.368  0.103  0.027 {?}    7.113  0.881  0.230     656.016     38.571  0  0
    563 {?}    9.427  0.028  0.010 {?}  125.374  0.103  0.027 {?}    6.172  0.881  0.230      20.597     38.571  0  0
    564 {?}    9.313  0.028  0.010 {?}  125.428  0.103  0.027 {?}    6.165  0.881  0.230     144.086     38.571  0  0
    565 {?}    9.312  0.028  0.010 {?}  125.410  0.103  0.027 {?}    5.665  0.881  0.230    1612.603     38.571  0  0
    566 {?}    9.417  0.032  0.105 {?}  125.395  0.248  0.354 {?}    5.385  1.033  2.152     453.669      5.724  0  0
    567 {59.H}    9.314  0.037  0.052 {59.N}  125.432  0.126  0.181 {57.HA}    5.395  1.109  2.049     186.861      4.325  0  0
    568 {?}    9.410  0.037  0.052 {?}  125.403  0.126  0.181 {?}    5.142  1.109  2.049     121.760      4.325  0  0
    569 {?}    9.315  0.037  0.052 {?}  125.407  0.126  0.181 {?}    5.135  1.109  2.049     218.923      4.325  0  0
    570 {?}    9.412  0.058  0.082 {?}  125.395  0.096  0.163 {?}    4.887  0.941  1.487     157.198     10.632  0  0
    571 {?}    9.308  0.037  0.052 {?}  125.444  0.117  0.147 {?}    4.897  0.633  1.581     306.154      9.774  0  0
    572 {?}    9.414  0.060  0.025 {?}  125.461  0.118  0.065 {?}    4.553  0.910  0.503     131.282      2.105  0  0
    573 {?}    9.313  0.060  0.025 {?}  125.385  0.118  0.065 {?}    4.406  0.910  0.503     276.088      2.105  0  0
    574 {?}    9.417  0.060  0.025 {?}  125.416  0.118  0.065 {?}    4.328  0.910  0.503     129.108      2.105  0  0
    575 {?}    9.317  0.038  0.059 {?}  125.495  0.067  0.223 {?}    4.147  0.866  1.561      34.874      6.548  0  0
    576 {?}    9.312  0.055  0.107 {?}  125.414  0.072  0.202 {?}    3.806  0.901  1.345     220.135      2.213  0  0
    577 {?}    9.419  0.055  0.107 {?}  125.435  0.072  0.202 {?}    3.778  0.901  1.345     183.284      2.030  0  0
    578 {?}    9.421  0.036  0.057 {?}  125.375  0.126  0.181 {?}    3.601  1.126  1.701     296.814      8.502  0  0
    579 {48.H}    9.418  0.036  0.057 {48.N}  125.381  0.126  0.181 {48.HB2}    3.311  1.126  1.701    1712.782      8.502  0  0
    580 {?}    9.315  0.036  0.057 {?}  125.456  0.126  0.181 {?}    3.323  1.126  1.701     191.557      8.502  0  0
    581 {?}    9.307  0.032  0.061 {?}  125.369  0.150  0.291 {?}    3.115  0.967  1.921      15.914      5.021  0  0
    582 {?}    9.419  0.035  0.033 {?}  125.415  0.089  0.083 {?}    2.997  1.282  1.188     149.685      1.974  0  0
    583 {59.H}    9.311  0.035  0.033 {59.N}  125.409  0.089  0.083 {57.HB2}    2.978  1.282  1.188     310.940      1.974  0  0
    584 {48.H}    9.418  0.035  0.033 {48.N}  125.387  0.089  0.083 {48.HB3}    2.741  1.282  1.188    1432.806      1.974  0  0
    585 {?}    9.308  0.068  0.097 {?}  125.379  0.097  0.221 {?}    2.734  1.289  2.345     538.876      4.946  0  0
    586 {?}    9.310  0.019  0.016 {?}  125.418  0.030  0.056 {?}    2.598  1.255  1.057     488.275      2.789  0  0
    587 {?}    9.418  0.019  0.016 {?}  125.373  0.030  0.056 {?}    2.137  1.255  1.057     816.557      2.789  0  0
    588 {59.H}    9.312  0.019  0.016 {59.N}  125.418  0.030  0.056 {58.HB2}    2.110  1.255  1.057    1984.477      2.789  0  0
    589 {?}    9.418  0.034  0.048 {?}  125.397  0.120  0.231 {?}    1.939  1.308  1.832    1697.169      6.561  0  0
    590 {59.H}    9.312  0.034  0.048 {59.N}  125.417  0.120  0.231 {59.HB}    1.924  1.308  1.832    2737.701      6.561  0  0
    591 {?}    9.417  0.034  0.048 {?}  125.386  0.120  0.231 {?}    1.774  1.308  1.832    1939.774      6.561  0  0
    592 {59.H}    9.313  0.023  0.032 {59.N}  125.417  0.128  0.236 {47.HB3}    1.779  1.126  1.872    2413.299      2.537  0  0
    593 {59.H}    9.311  0.027  0.055 {59.N}  125.422  0.085  0.301 {59.HG12}    1.542  2.297  3.281    2661.831      8.668  0  0
    594 {48.H}    9.417  0.027  0.055 {48.N}  125.388  0.085  0.301 {47.HB2}    1.477  2.297  3.281    1376.120      8.668  0  0
    595 {?}    9.418  0.027  0.055 {?}  125.376  0.085  0.301 {?}    1.169  2.297  3.281     745.915      8.668  0  0
    596 {59.H}    9.313  0.033  0.081 {59.N}  125.394  0.151  0.280 {59.HG13}    1.189  1.183  1.991    1317.468      7.969  0  0
    597 {?}    9.418  0.033  0.081 {?}  125.394  0.151  0.280 {?}    0.978  1.183  1.991    1798.642      7.969  0  0
    598 {?}    9.418  0.043  0.055 {?}  125.380  0.095  0.127 {?}    0.865  0.942  1.269    2724.256     30.280  0  0
    599 {?}    9.312  0.047  0.059 {?}  125.412  0.111  0.143 {?}    0.886  0.882  1.060    7035.351      6.531  0  0
    600 {?}    9.312  0.020  0.082 {?}  125.417  0.070  0.156 {?}    0.772  1.147  1.975    3902.760      5.122  0  0
    601 {48.H 48.H}    9.419  0.020  0.082 {48.N 48.N}  125.404  0.070  0.156 {49.HD22 49.HD23}    0.409  1.147  1.975     404.652      5.122  0  0
    602 {?}    8.282  0.020  0.082 {?}  125.176  0.070  0.156 {?}    8.290  1.147  1.975     482.476      5.122  0  0
    603 {27.H}    8.967  0.020  0.082 {27.N}  124.975  0.070  0.156 {26.H}    7.930  1.147  1.975     175.734      5.122  0  0
    604 {?}    8.970  0.020  0.082 {?}  124.973  0.070  0.156 {?}    2.218  1.147  1.975     210.946      5.122  0  0
    605 {167.H}    8.686  0.065  0.130 {167.N}  124.680  0.182  0.260 {158.H}    9.034  1.153  1.647      44.184     11.137  0  0
    606 {27.H}    8.970  0.065  0.130 {27.N}  124.882  0.182  0.260 {27.H}    8.966  1.153  1.647    1456.260     11.137  0  0
    607 {27.H}    8.969  0.050  0.112 {27.N}  124.878  0.140  0.200 {28.H}    8.146  0.537  2.163     662.277     15.647  0  0
    608 {?}    8.039  0.050  0.112 {?}  124.753  0.140  0.200 {?}    8.040  0.537  2.163      10.514     15.647  0  0
    609 {?}    7.955  0.050  0.112 {?}  124.665  0.140  0.200 {?}    7.950  0.537  2.163      31.124     15.647  0  0
    610 {?}    7.577  0.024  0.111 {?}  124.843  0.102  0.145 {?}    7.577  1.123  1.983      96.277    565.623  0  0
    611 {?}    8.969  0.024  0.111 {?}  124.876  0.102  0.145 {?}    7.329  1.123  1.983     760.800    565.623  0  0
    612 {?}    8.690  0.024  0.111 {?}  124.727  0.102  0.145 {?}    4.554  1.123  1.983     413.524    565.623  0  0
    613 {?}    8.969  0.024  0.111 {?}  124.810  0.102  0.145 {?}    4.473  1.123  1.983     286.382      4.156  0  0
    614 {?}    8.691  0.024  0.111 {?}  124.642  0.102  0.145 {?}    4.440  1.123  1.983     970.889     44.086  0  0
    615 {?}    8.971  0.024  0.111 {?}  124.839  0.102  0.145 {?}    4.318  1.123  1.983     234.414     44.086  0  0
    616 {?}    8.969  0.058  0.082 {?}  124.840  0.157  0.283 {?}    4.189  1.094  2.345     607.059     24.469  0  0
    617 {27.H}    8.970  0.052  0.143 {27.N}  124.871  0.157  0.269 {26.HA}    4.083  1.085  1.993    1295.980    199.592  0  0
    618 {27.H}    8.970  0.052  0.143 {27.N}  124.849  0.157  0.269 {27.HB2}    3.246  1.085  1.993     919.513    199.592  0  0
    619 {27.H}    8.969  0.052  0.143 {27.N}  124.880  0.157  0.269 {27.HB3}    3.082  1.085  1.993     601.109    199.592  0  0
    620 {?}    8.963  0.028  0.052 {?}  124.876  0.211  0.301 {?}    2.354  0.670  2.106     129.612      1.964  0  0
    621 {27.H}    8.969  0.028  0.052 {27.N}  124.859  0.211  0.301 {26.HB}    1.999  0.670  2.106     288.806      1.790  0  0
    622 {27.H}    8.977  0.028  0.052 {27.N}  124.923  0.211  0.301 {25.HB2}    1.718  0.670  2.106     141.885      5.547  0  0
    623 {167.H}    8.689  0.028  0.052 {167.N}  124.761  0.211  0.301 {119.HG2}    1.481  0.670  2.106     193.979      3.851  0  0
    624 {27.H}    8.969  0.028  0.052 {27.N}  124.899  0.211  0.301 {26.HG13}    0.915  0.670  2.106    1358.780      7.861  0  0
    625 {?}    8.860  0.028  0.052 {?}  124.653  0.211  0.301 {?}   -2.190  0.670  2.106      10.791     10.818  0  0
    626 {118.H}    8.177  0.035  0.097 {118.N}  124.402  0.295  0.421 {119.H}    9.590  1.073  1.532     231.755      1.985  0  0
    627 {118.H}    8.174  0.035  0.097 {118.N}  124.429  0.295  0.421 {61.H}    9.117  1.073  1.532     103.294     10.178  0  0
    628 {145.H}    9.055  0.035  0.097 {145.N}  124.418  0.295  0.421 {145.H}    9.050  1.073  1.532    5303.129      4.842  0  0
    629 {?}    8.174  0.026  0.052 {?}  124.413  0.215  0.289 {?}    8.929  1.159  1.961     369.694     13.941  0  0
    630 {?}    9.055  0.026  0.052 {?}  124.430  0.215  0.289 {?}    8.818  1.159  1.961     866.067     22.377  0  0
    631 {118.H}    8.174  0.026  0.052 {118.N}  124.431  0.215  0.289 {60.H}    8.806  1.159  1.961     609.557     43.162  0  0
    632 {145.H}    9.054  0.105  0.299 {145.N}  124.427  0.126  0.180 {148.H}    8.701  1.323  1.890     472.960      4.612  0  0
    633 {118.H}    8.175  0.105  0.299 {118.N}  124.394  0.126  0.180 {122.H}    8.607  1.323  1.890     140.446      5.976  0  0
    634 {145.H}    9.055  0.037  0.052 {145.N}  124.423  0.108  0.187 {146.H}    8.449  0.538  1.895    1898.648      2.122  0  0
    635 {?}    9.057  0.055  0.277 {?}  124.414  0.076  0.209 {?}    8.278  1.206  1.723     143.192      5.748  0  0
    636 {118.H}    8.174  0.043  0.112 {118.N}  124.442  0.081  0.116 {118.H}    8.181  1.100  1.967    3539.507      2.645  0  0
    637 {145.H}    9.054  0.043  0.112 {145.N}  124.416  0.081  0.116 {142.HE22}    8.072  1.100  1.967     100.533      2.455  0  0
    638 {?}    8.692  0.043  0.112 {?}  124.580  0.081  0.116 {?}    7.934  1.100  1.967    2151.224      2.455  0  0
    639 {89.H}    7.829  0.043  0.112 {89.N}  124.329  0.081  0.116 {89.H}    7.818  1.100  1.967    5347.362      1.948  0  0
    640 {?}    8.690  0.043  0.112 {?}  124.532  0.081  0.116 {?}    7.811  1.100  1.967     453.059      1.948  0  0
    641 {?}    7.768  0.043  0.112 {?}  124.401  0.081  0.116 {?}    7.765  1.100  1.967    1386.112      1.910  0  0
    642 {?}    7.765  0.043  0.112 {?}  124.402  0.081  0.116 {?}    7.635  1.100  1.967      42.659      1.910  0  0
    643 {89.H}    7.828  0.043  0.112 {89.N}  124.364  0.081  0.116 {92.H}    7.540  1.100  1.967     379.444      1.910  0  0
    644 {?}    8.174  0.043  0.112 {?}  124.428  0.081  0.116 {?}    7.494  1.100  1.967     620.256      4.680  0  0
    645 {?}    8.690  0.043  0.112 {?}  124.437  0.081  0.116 {?}    7.445  1.100  1.967     151.672     10.268  0  0
    646 {89.H}    7.829  0.043  0.112 {89.N}  124.353  0.081  0.116 {91.H}    7.351  1.100  1.967     876.135     10.268  0  0
    647 {?}    9.057  0.043  0.112 {?}  124.423  0.081  0.116 {?}    7.281  1.100  1.967     316.276     10.268  0  0
    648 {118.H}    8.174  0.028  0.067 {118.N}  124.455  0.112  0.160 {121.H}    7.221  1.669  2.385     327.416     50.675  0  0
    649 {?}    7.829  0.028  0.067 {?}  124.319  0.112  0.160 {?}    7.166  1.669  2.385    1693.582     78.660  0  0
    650 {?}    8.697  0.028  0.067 {?}  124.426  0.112  0.160 {?}    7.024  1.669  2.385     147.744     78.660  0  0
    651 {?}    8.174  0.028  0.067 {?}  124.415  0.112  0.160 {?}    7.012  1.669  2.385    1002.258     10.482  0  0
    652 {?}    9.054  0.028  0.067 {?}  124.376  0.112  0.160 {?}    6.970  1.669  2.385     345.908     10.482  0  0
    653 {89.H}    7.829  0.028  0.067 {89.N}  124.329  0.112  0.160 {88.H}    6.942  1.669  2.385    2126.963      6.380  0  0
    654 {?}    8.174  0.028  0.067 {?}  124.347  0.112  0.160 {?}    6.807  1.669  2.385     158.748      5.358  0  0
    655 {?}    8.695  0.028  0.067 {?}  124.509  0.112  0.160 {?}    6.790  1.669  2.385      32.214      5.358  0  0
    656 {?}    8.693  0.028  0.067 {?}  124.390  0.112  0.160 {?}    6.623  1.669  2.385      57.737      7.955  0  0
    657 {?}    9.058  0.018  0.017 {?}  124.357  0.054  0.049 {?}    6.534  0.790  0.718      30.210      2.097  0  0
    658 {?}    7.827  0.079  0.112 {?}  124.378  0.093  0.170 {?}    6.530  0.906  1.295     218.475     11.359  0  0
    659 {?}    9.056  0.037  0.052 {?}  124.426  0.098  0.143 {?}    6.151  0.822  1.502     220.541      3.320  0  0
    660 {?}    8.690  0.041  0.097 {?}  124.552  0.134  0.191 {?}    6.159  1.223  1.747     119.130     11.217  0  0
    661 {?}    7.827  0.041  0.097 {?}  124.332  0.134  0.191 {?}    6.068  1.223  1.747      86.728     11.217  0  0
    662 {?}    9.058  0.041  0.097 {?}  124.473  0.134  0.191 {?}    5.986  1.223  1.747     141.008     11.217  0  0
    663 {?}    8.687  0.041  0.097 {?}  124.492  0.134  0.191 {?}    5.994  1.223  1.747      41.112     10.107  0  0
    664 {?}    8.697  0.041  0.097 {?}  124.465  0.134  0.191 {?}    5.746  1.223  1.747     328.916     10.107  0  0
    665 {?}    7.826  0.041  0.097 {?}  124.406  0.134  0.191 {?}    5.654  1.223  1.747      67.045      4.448  0  0
    666 {?}    8.693  0.041  0.097 {?}  124.500  0.134  0.191 {?}    5.452  1.223  1.747     219.143     28.756  0  0
    667 {?}    9.059  0.041  0.097 {?}  124.386  0.134  0.191 {?}    5.414  1.223  1.747     127.240     28.756  0  0
    668 {?}    7.825  0.041  0.097 {?}  124.412  0.134  0.191 {?}    5.411  1.223  1.747      43.835      6.208  0  0
    669 {?}    8.695  0.041  0.097 {?}  124.452  0.134  0.191 {?}    5.341  1.223  1.747     228.901      6.208  0  0
    670 {167.H}    8.691  0.041  0.097 {167.N}  124.432  0.134  0.191 {158.HA}    5.190  1.223  1.747     264.558     13.053  0  0
    671 {?}    7.837  0.037  0.052 {?}  124.404  0.076  0.163 {?}    5.162  2.297  3.281      22.385     27.848  0  0
    672 {?}    9.056  0.037  0.052 {?}  124.466  0.076  0.163 {?}    5.095  2.297  3.281     506.317     27.848  0  0
    673 {?}    8.691  0.032  0.112 {?}  124.574  0.209  0.299 {?}    5.032  0.948  1.909     273.045      4.025  0  0
    674 {?}    7.832  0.023  0.045 {?}  124.358  0.087  0.257 {?}    5.030  1.004  2.031      94.202    547.935  0  0
    675 {?}    8.171  0.023  0.045 {?}  124.468  0.087  0.257 {?}    5.002  1.004  2.031     160.180    547.935  0  0
    676 {?}    8.697  0.023  0.045 {?}  124.430  0.087  0.257 {?}    4.940  1.004  2.031     428.929    547.935  0  0
    677 {?}    9.057  0.020  0.020 {?}  124.443  0.052  0.051 {?}    4.885  0.948  0.931     299.680      4.402  0  0
    678 {118.H}    8.176  0.044  0.051 {118.N}  124.451  0.129  0.137 {117.HA}    4.871  1.212  1.301     434.954      5.374  0  0
    679 {?}    8.692  0.016  0.028 {?}  124.479  0.145  0.129 {?}    4.793  0.956  0.808     676.350     15.084  0  0
    680 {?}    8.690  0.044  0.053 {?}  124.509  0.095  0.109 {?}    4.683  1.300  1.510     852.397     36.790  0  0
    681 {?}    7.825  0.044  0.053 {?}  124.348  0.095  0.109 {?}    4.685  1.300  1.510     122.806     36.790  0  0
    682 {?}    8.176  0.044  0.053 {?}  124.406  0.095  0.109 {?}    4.478  1.300  1.510     220.156     36.790  0  0
    683 {?}    7.826  0.021  0.014 {?}  124.376  0.146  0.091 {?}    4.480  1.123  0.672     105.476      1.930  0  0
    684 {?}    8.169  0.033  0.049 {?}  124.401  0.076  0.115 {?}    4.341  0.834  1.354     360.403     39.515  0  0
    685 {89.H}    7.829  0.036  0.067 {89.N}  124.346  0.104  0.149 {87.HA}    4.276  0.791  1.671     839.094      3.590  0  0
    686 {118.H}    8.178  0.074  0.015 {118.N}  124.459  0.111  0.018 {121.HA}    4.249  0.743  0.119     195.122      2.152  0  0
    687 {145.H}    9.056  0.035  0.023 {145.N}  124.417  0.110  0.055 {145.HA}    4.185  1.597  0.661    1674.144    153.818  0  0
    688 {167.H}    8.695  0.035  0.023 {167.N}  124.452  0.110  0.055 {166.HA}    4.184  1.597  0.661     546.034    153.818  0  0
    689 {118.H}    8.170  0.035  0.023 {118.N}  124.404  0.110  0.055 {60.HB3}    3.915  1.597  0.661      87.671    153.818  0  0
    690 {145.H}    9.054  0.027  0.041 {145.N}  124.368  0.159  0.233 {148.HB2}    3.797  0.986  1.789     247.411      2.682  0  0
    691 {?}    7.829  0.020  0.006 {?}  124.377  0.135  0.041 {?}    3.583  0.928  0.275     168.833     19.297  0  0
    692 {?}    7.828  0.020  0.006 {?}  124.347  0.135  0.041 {?}    3.321  0.928  0.275     142.567     19.297  0  0
    693 {145.H}    9.055  0.028  0.025 {145.N}  124.424  0.103  0.089 {146.HD3}    3.275  1.038  1.981     168.654     13.800  0  0
    694 {118.H 118.H}    8.174  0.012  0.014 {118.N 118.N}  124.428  0.100  0.039 {118.HB2 118.HB3}    3.179  0.949  0.368    2032.572      5.335  0  0
    695 {?}    7.829  0.042  0.040 {?}  124.404  0.201  0.194 {?}    3.177  1.412  1.325     231.153      4.004  0  0
    696 {89.H 89.H}    7.829  0.045  0.060 {89.N 89.N}  124.321  0.106  0.156 {88.HG2 89.HA}    2.775  0.935  1.432    1961.460      4.011  0  0
    697 {145.H}    9.055  0.044  0.066 {145.N}  124.412  0.108  0.160 {145.HB3}    2.495  1.041  1.672    2117.011      4.105  0  0
    698 {?}    7.828  0.030  0.074 {?}  124.329  0.133  0.243 {?}    2.454  0.834  1.709     459.923     51.903  0  0
    699 {?}    8.174  0.023  0.042 {?}  124.406  0.102  0.184 {?}    2.318  0.933  1.930     658.999     57.239  0  0
    700 {?}    9.056  0.037  0.119 {?}  124.468  0.235  0.336 {?}    2.289  1.077  1.539     482.198      2.158  0  0
    701 {?}    7.829  0.017  0.001 {?}  124.333  0.107  0.005 {?}    2.223  0.944  0.040    3904.208      3.373  0  0
    702 {?}    8.174  0.025  0.009 {?}  124.504  0.105  0.042 {?}    2.106  0.741  0.301     332.770     34.044  0  0
    703 {?}    9.055  0.024  0.024 {?}  124.410  0.113  0.118 {?}    2.090  0.982  1.023    2142.871     12.331  0  0
    704 {?}    7.828  0.037  0.053 {?}  124.321  0.094  0.124 {?}    1.971  0.841  1.090    4978.797      3.046  0  0
    705 {145.H}    9.054  0.034  0.063 {145.N}  124.419  0.092  0.269 {145.HG}    1.721  0.866  1.599    1369.042      8.752  0  0
    706 {?}    7.827  0.054  0.046 {?}  124.349  0.123  0.101 {?}    1.667  0.827  0.674     126.878     36.162  0  0
    707 {?}    8.174  0.026  0.044 {?}  124.420  0.164  0.266 {?}    1.580  0.898  2.068    2486.094      5.030  0  0
    708 {145.H}    9.056  0.031  0.065 {145.N}  124.417  0.153  0.229 {145.HB2}    1.499  1.552  2.217    1861.272      4.054  0  0
    709 {89.H}    7.830  0.031  0.039 {89.N}  124.323  0.306  0.438 {89.HB2}    1.430  1.868  2.668    1404.426     31.686  0  0
    710 {145.H 145.H 145.H}    9.055  0.030  0.067 {145.N 145.N 145.N}  124.419  0.146  0.219 {145.HD11 145.HD12 145.HD13}    1.180  0.842  2.181    1281.243     11.572  0  0
    711 {?}    8.174  0.030  0.067 {?}  124.435  0.146  0.219 {?}    1.159  0.842  2.181    1488.635     11.572  0  0
    712 {?}    7.828  0.030  0.067 {?}  124.348  0.146  0.219 {?}    1.156  0.842  2.181     913.555     11.572  0  0
    713 {118.H}    8.174  0.016  0.006 {118.N}  124.431  0.091  0.035 {117.HB3}    1.017  0.492  0.703    2900.541     11.841  0  0
    714 {89.H}    7.826  0.021  0.003 {89.N}  124.389  0.193  0.024 {56.HD12}    1.017  1.038  0.133      55.294      7.558  0  0
    715 {145.H 145.H}    9.055  0.027  0.059 {145.N 145.N}  124.415  0.087  0.237 {145.HD21 145.HD23}    0.952  0.933  1.333    4235.174     10.580  0  0
    716 {?}    8.693  0.032  0.017 {?}  124.499  0.073  0.021 {?}    0.952  0.747  0.212   14901.817      2.263  0  0
    717 {?}    8.174  0.043  0.077 {?}  124.430  0.113  0.208 {?}    0.889  0.987  1.864    3661.577      2.190  0  0
    718 {167.H}    8.691  0.024  0.036 {167.N}  124.619  0.211  0.301 {167.HG21}    0.792  0.936  2.255    5443.073      2.572  0  0
    719 {?}    7.828  0.023  0.058 {?}  124.323  0.110  0.158 {?}    0.796  0.789  2.123     871.778     15.296  0  0
    720 {145.H 145.H 145.H}    9.056  0.029  0.015 {145.N 145.N 145.N}  124.400  0.152  0.072 {140.HG11 140.HG12 140.HG13}    0.765  0.789  0.325     558.717      6.215  0  0
    721 {?}    8.692  0.029  0.015 {?}  124.580  0.152  0.072 {?}    0.499  0.789  0.325    1215.645      5.298  0  0
    722 {145.H 145.H}    9.055  0.029  0.015 {145.N 145.N}  124.399  0.152  0.072 {16.HG21 16.HG22}    0.190  0.789  0.325     303.121     17.988  0  0
    723 {?}    8.172  0.029  0.015 {?}  124.455  0.152  0.072 {?}    0.062  0.789  0.325      10.740      2.800  0  0
    724 {?}    8.692  0.029  0.015 {?}  124.569  0.152  0.072 {?}   -0.401  0.789  0.325     503.975     11.178  0  0
    725 {?}    8.690  0.024  0.037 {?}  124.497  0.183  0.262 {?}   -2.188  0.920  1.314     520.154      8.497  0  0
    726 {?}    8.602  0.024  0.037 {?}  124.522  0.183  0.262 {?}   -2.186  0.920  1.314      50.976      8.497  0  0
    727 {?}    8.512  0.028  0.064 {?}  124.482  0.111  0.159 {?}   -2.190  0.988  2.366     564.182      6.413  0  0
    728 {?}    7.122  0.044  0.075 {?}  124.463  0.098  0.173 {?}   -2.194  0.871  1.607     208.304      4.078  0  0
    729 {?}    6.948  0.044  0.075 {?}  124.404  0.098  0.173 {?}   -2.190  0.871  1.607     205.544      5.350  0  0
    730 {47.H}    9.703  0.031  0.067 {47.N}  124.071  0.211  0.301 {47.H}    9.714  0.467  1.467    3971.900     97.358  0  0
    731 {122.H}    8.583  0.031  0.067 {122.N}  124.194  0.211  0.301 {119.H}    9.573  0.467  1.467     142.416      6.054  0  0
    732 {47.H}    9.704  0.031  0.067 {47.N}  124.067  0.211  0.301 {59.H}    9.318  0.467  1.467    1122.969      5.523  0  0
    733 {?}    8.822  0.031  0.067 {?}  124.024  0.211  0.301 {?}    9.169  0.467  1.467    1408.620      5.523  0  0
    734 {?}    9.704  0.037  0.052 {?}  124.029  0.143  0.204 {?}    9.116  0.884  2.350     499.418     14.950  0  0
    735 {?}    8.580  0.037  0.052 {?}  124.171  0.143  0.204 {?}    8.928  0.884  2.350      98.170     98.707  0  0
    736 {47.H}    9.701  0.037  0.052 {47.N}  124.043  0.143  0.204 {60.H}    8.841  0.884  2.350     100.527     98.707  0  0
    737 {60.H 115.H}    8.822  0.037  0.052 {60.N 115.N}  124.023  0.143  0.204 {60.H 115.H}    8.823  0.884  2.350   11727.600     98.707  0  0
    738 {166.H}    8.701  0.037  0.052 {166.N}  124.151  0.143  0.204 {166.H}    8.705  0.884  2.350   26839.270     98.707  0  0
    739 {122.H}    8.583  0.037  0.052 {122.N}  124.173  0.143  0.204 {122.H}    8.593  0.884  2.350    7389.963     10.315  0  0
    740 {?}    8.491  0.037  0.052 {?}  124.206  0.143  0.204 {?}    8.591  0.884  2.350     212.481     10.315  0  0
    741 {122.H}    8.583  0.037  0.052 {122.N}  124.186  0.143  0.204 {120.H}    8.358  0.884  2.350     614.642     10.315  0  0
    742 {47.H}    9.703  0.037  0.052 {47.N}  124.101  0.143  0.204 {46.H}    8.326  0.884  2.350     217.980     93.335  0  0
    743 {60.H}    8.823  0.037  0.052 {60.N}  124.045  0.143  0.204 {118.H}    8.191  0.884  2.350     645.153     93.335  0  0
    744 {122.H}    8.581  0.039  0.068 {122.N}  124.121  0.112  0.213 {118.H}    8.187  0.889  1.862     167.509     51.706  0  0
    745 {?}    8.583  0.039  0.068 {?}  124.155  0.112  0.213 {?}    8.052  0.889  1.862     243.195     51.706  0  0
    746 {115.H}    8.821  0.048  0.099 {115.N}  124.065  0.105  0.274 {114.H}    7.685  1.054  1.506     422.422      3.597  0  0
    747 {47.H}    9.703  0.048  0.099 {47.N}  124.063  0.105  0.274 {46.HD21}    7.521  1.054  1.506     284.748     20.417  0  0
    748 {?}    8.822  0.048  0.099 {?}  124.040  0.105  0.274 {?}    7.494  1.054  1.506    1640.896     20.417  0  0
    749 {122.H}    8.583  0.048  0.099 {122.N}  124.174  0.105  0.274 {123.H}    7.374  1.054  1.506    1868.437     20.417  0  0
    750 {122.H}    8.583  0.048  0.099 {122.N}  124.168  0.105  0.274 {121.H}    7.215  1.054  1.506    2504.617      6.206  0  0
    751 {?}    9.699  0.022  0.058 {?}  124.123  0.205  0.295 {?}    7.096  0.917  1.309     132.038     43.372  0  0
    752 {?}    8.582  0.022  0.058 {?}  124.179  0.205  0.295 {?}    6.999  0.917  1.309     179.451     43.372  0  0
    753 {?}    8.580  0.022  0.058 {?}  124.151  0.205  0.295 {?}    6.855  0.917  1.309      42.896     43.372  0  0
    754 {?}    7.822  0.028  0.097 {?}  124.266  0.231  0.330 {?}    6.676  0.778  2.114     218.160     10.472  0  0
    755 {?}    8.820  0.034  0.047 {?}  124.001  0.111  0.183 {?}    6.594  0.692  1.034     146.651      2.480  0  0
    756 {?}    8.581  0.016  0.033 {?}  124.273  0.074  0.156 {?}    6.580  0.404  0.411      19.087      3.259  0  0
    757 {?}    7.830  0.017  0.017 {?}  124.280  0.086  0.090 {?}    6.456  0.491  0.513     252.752      2.702  0  0
    758 {?}    8.695  0.029  0.067 {?}  124.081  0.128  0.259 {?}    6.370  0.815  2.329      20.721     15.351  0  0
    759 {?}    8.821  0.029  0.067 {?}  124.075  0.128  0.259 {?}    6.175  0.815  2.329     191.785     15.351  0  0
    760 {?}    9.703  0.029  0.067 {?}  124.069  0.128  0.259 {?}    6.164  0.815  2.329    2876.330      2.180  0  0
    761 {?}    8.585  0.029  0.067 {?}  124.126  0.128  0.259 {?}    6.136  0.815  2.329     363.166      4.583  0  0
    762 {115.H}    8.820  0.025  0.028 {115.N}  123.998  0.081  0.093 {115.HA}    5.882  0.599  0.691    1155.007      3.570  0  0
    763 {?}    9.704  0.027  0.052 {?}  124.077  0.100  0.143 {?}    5.674  0.881  1.258      57.096      5.766  0  0
    764 {?}    9.703  0.036  0.047 {?}  124.032  0.065  0.085 {?}    5.373  0.604  1.568     440.496      6.225  0  0
    765 {?}    9.704  0.036  0.047 {?}  124.112  0.065  0.085 {?}    5.105  0.604  1.568     167.861      6.225  0  0
    766 {?}    8.823  0.020  0.005 {?}  124.053  0.090  0.023 {?}    5.109  1.570  0.604    1179.776      4.685  0  0
    767 {?}    8.582  0.026  0.045 {?}  124.162  0.125  0.193 {?}    5.019  0.837  1.452     137.742      2.967  0  0
    768 {?}    8.822  0.031  0.068 {?}  124.028  0.157  0.224 {?}    4.982  0.895  1.806    1345.608     57.608  0  0
    769 {47.H}    9.700  0.029  0.101 {47.N}  124.039  0.165  0.235 {47.HA}    4.921  0.799  1.970     292.334      5.739  0  0
    770 {?}    7.832  0.023  0.041 {?}  124.152  0.103  0.189 {?}    4.891  1.133  1.878      40.840      5.579  0  0
    771 {60.H}    8.823  0.022  0.043 {60.N}  124.032  0.094  0.225 {117.HA}    4.867  0.991  1.945    1223.672     11.409  0  0
    772 {115.H}    8.823  0.013  0.023 {115.N}  124.055  0.070  0.109 {156.HA}    4.728  1.191  0.825     933.011      1.809  0  0
    773 {?}    9.706  0.025  0.054 {?}  124.062  0.097  0.199 {?}    4.646  0.905  1.840     121.338    747.797  0  0
    774 {?}    9.702  0.025  0.054 {?}  124.059  0.097  0.199 {?}    4.510  0.905  1.840      72.845    747.797  0  0
    775 {?}    9.703  0.025  0.054 {?}  124.026  0.097  0.199 {?}    4.365  0.905  1.840     181.861    747.797  0  0
    776 {115.H}    8.821  0.038  0.070 {115.N}  124.013  0.139  0.249 {114.HA}    4.317  0.945  1.933    1860.459      6.484  0  0
    777 {122.H}    8.583  0.026  0.053 {122.N}  124.177  0.107  0.212 {122.HA}    4.335  1.040  1.830     868.246     28.258  0  0
    778 {?}    9.703  0.026  0.053 {?}  124.094  0.107  0.212 {?}    4.234  1.040  1.830     248.495     28.258  0  0
    779 {89.H}    7.829  0.037  0.052 {89.N}  124.310  0.130  0.283 {86.HA}    4.139  1.216  1.737     383.320     18.718  0  0
    780 {?}    9.701  0.035  0.061 {?}  124.063  0.085  0.336 {?}    4.106  1.164  2.037     217.662     24.721  0  0
    781 {60.H}    8.826  0.035  0.061 {60.N}  124.063  0.085  0.336 {60.HB3}    3.898  1.164  2.037     400.757     24.721  0  0
    782 {122.H}    8.582  0.035  0.061 {122.N}  124.147  0.085  0.336 {119.HA}    3.774  1.164  2.037     491.889     24.721  0  0
    783 {?}    8.163  0.034  0.097 {?}  124.276  0.212  0.302 {?}    3.548  0.410  2.291      90.383     42.959  0  0
    784 {?}    9.704  0.026  0.079 {?}  124.043  0.173  0.271 {?}    3.321  1.033  1.872     134.310     10.506  0  0
    785 {?}    9.699  0.027  0.056 {?}  124.072  0.088  0.263 {?}    3.166  0.824  1.632     180.397      9.903  0  0
    786 {122.H}    8.582  0.031  0.082 {122.N}  124.177  0.160  0.229 {118.HB3}    3.168  0.912  1.302     671.381   1026.234  0  0
    787 {115.H}    8.821  0.031  0.082 {115.N}  124.020  0.160  0.229 {115.HB2}    2.998  0.912  1.302    2200.781   1026.234  0  0
    788 {122.H}    8.585  0.031  0.082 {122.N}  124.221  0.160  0.229 {123.HB2}    2.954  0.912  1.302     222.786   1026.234  0  0
    789 {?}    9.701  0.031  0.082 {?}  124.060  0.160  0.229 {?}    2.580  0.912  1.302     967.422   1026.234  0  0
    790 {?}    8.583  0.031  0.082 {?}  124.159  0.160  0.229 {?}    2.490  0.912  1.302     493.272   1026.234  0  0
    791 {?}    9.699  0.031  0.082 {?}  124.104  0.160  0.229 {?}    2.401  0.912  1.302     482.707   1026.234  0  0
    792 {?}    8.583  0.028  0.066 {?}  124.182  0.126  0.181 {?}    2.323  0.811  1.711    1540.043    628.373  0  0
    793 {115.H}    8.824  0.028  0.066 {115.N}  124.022  0.126  0.181 {114.HD3}    2.263  0.811  1.711     835.915    628.373  0  0
    794 {47.H}    9.703  0.028  0.066 {47.N}  124.075  0.126  0.181 {46.HB3}    2.122  0.811  1.711    1448.869    628.373  0  0
    795 {?}    8.824  0.028  0.066 {?}  124.043  0.126  0.181 {?}    2.124  0.811  1.711    1982.560    628.373  0  0
    796 {?}    8.582  0.028  0.066 {?}  124.169  0.126  0.181 {?}    2.041  0.811  1.711    1016.655    628.373  0  0
    797 {60.H}    8.825  0.028  0.066 {60.N}  124.007  0.126  0.181 {59.HB}    1.938  0.811  1.711    1047.090    628.373  0  0
    798 {?}    9.702  0.028  0.066 {?}  124.070  0.126  0.181 {?}    1.917  0.811  1.711    1765.487    628.373  0  0
    799 {?}    8.583  0.028  0.066 {?}  124.197  0.126  0.181 {?}    1.822  0.811  1.711     657.292    628.373  0  0
    800 {47.H}    9.703  0.028  0.066 {47.N}  124.068  0.126  0.181 {47.HB3}    1.771  0.811  1.711    3065.905    628.373  0  0
    801 {?}    8.823  0.028  0.066 {?}  124.058  0.126  0.181 {?}    1.788  0.811  1.711    1384.384    628.373  0  0
    802 {?}    8.826  0.028  0.066 {?}  124.071  0.126  0.181 {?}    1.571  0.811  1.711    1490.157    628.373  0  0
    803 {47.H}    9.703  0.028  0.066 {47.N}  124.085  0.126  0.181 {47.HB2}    1.487  0.811  1.711    1255.308    628.373  0  0
    804 {122.H}    8.583  0.031  0.082 {122.N}  124.169  0.151  0.275 {122.HB2}    1.462  0.836  2.046    5907.928    631.385  0  0
    805 {115.H}    8.823  0.031  0.082 {115.N}  124.032  0.151  0.275 {114.HG2}    1.198  0.836  2.046    5022.604    631.385  0  0
    806 {?}    9.700  0.031  0.082 {?}  124.073  0.151  0.275 {?}    1.168  0.836  2.046     626.995    631.385  0  0
    807 {?}    8.701  0.026  0.067 {?}  124.298  0.157  0.291 {?}    1.178  1.038  1.846     173.333     90.452  0  0
    808 {122.H}    8.582  0.026  0.067 {122.N}  124.175  0.157  0.291 {117.HB3}    1.007  1.038  1.846     928.969     90.452  0  0
    809 {47.H 47.H}    9.703  0.026  0.058 {47.N 47.N}  124.075  0.192  0.274 {47.HD11 47.HD13}    0.875  0.892  1.738    4741.154    451.385  0  0
    810 {?}    8.823  0.026  0.058 {?}  124.025  0.192  0.274 {?}    0.873  0.892  1.738    6412.560    451.385  0  0
    811 {?}    8.583  0.026  0.058 {?}  124.171  0.192  0.274 {?}    0.872  0.892  1.738    6254.537    451.385  0  0
    812 {60.H}    8.824  0.026  0.038 {60.N}  124.043  0.044  0.148 {59.HG21}    0.791  0.789  1.123    6441.640     26.438  0  0
    813 {?}    9.703  0.024  0.033 {?}  124.146  0.115  0.169 {?}    0.601  1.126  1.655     277.314    381.161  0  0
    814 {?}    8.822  0.024  0.033 {?}  124.013  0.115  0.169 {?}    0.534  1.126  1.655    1494.588    381.161  0  0
    815 {?}    8.172  0.024  0.033 {?}  124.285  0.115  0.169 {?}    0.520  1.126  1.655      62.612    381.161  0  0
    816 {?}    9.699  0.029  0.047 {?}  124.086  0.151  0.223 {?}    0.436  0.895  1.524     224.627     38.947  0  0
    817 {?}    7.374  0.029  0.047 {?}  124.119  0.151  0.223 {?}   -2.185  0.895  1.524     120.164     38.947  0  0
    818 {?}    7.211  0.035  0.062 {?}  124.163  0.117  0.219 {?}   -2.193  1.047  1.713      80.221     63.876  0  0
    819 {?}    8.460  0.025  0.056 {?}  123.968  0.120  0.203 {?}    8.492  0.797  1.631      31.884     10.932  0  0
    820 {?}    8.820  0.026  0.049 {?}  123.975  0.122  0.191 {?}    8.421  1.054  1.743     383.584      6.163  0  0
    821 {?}    8.233  0.026  0.039 {?}  123.904  0.153  0.204 {?}    8.242  0.799  1.137    1961.180     63.860  0  0
    822 {?}    7.723  0.026  0.039 {?}  123.980  0.153  0.204 {?}    7.720  0.799  1.137     808.990     63.860  0  0
    823 {?}    8.391  0.029  0.071 {?}  123.700  0.098  0.237 {?}    7.514  0.914  1.933     132.820      3.810  0  0
    824 {?}    8.821  0.024  0.034 {?}  123.990  0.106  0.103 {?}    7.107  1.184  1.148    2433.122     79.078  0  0
    825 {?}    8.388  0.024  0.034 {?}  123.815  0.106  0.103 {?}    6.875  1.184  1.148      10.812     13.137  0  0
    826 {?}    8.825  0.024  0.034 {?}  123.969  0.106  0.103 {?}    6.836  1.184  1.148     530.107      3.267  0  0
    827 {?}    9.278  0.027  0.070 {?}  123.800  0.090  0.236 {?}    6.701  0.822  1.908      61.686      3.325  0  0
    828 {?}    8.817  0.027  0.073 {?}  123.973  0.142  0.238 {?}    5.681  0.875  2.044      21.768      7.022  0  0
    829 {?}    8.583  0.037  0.039 {?}  123.984  0.121  0.134 {?}    4.835  0.977  1.045      87.263      1.887  0  0
    830 {?}    9.288  0.030  0.061 {?}  123.776  0.110  0.157 {?}    4.733  1.036  1.971     408.472      3.781  0  0
    831 {?}    8.391  0.034  0.041 {?}  123.711  0.126  0.181 {?}    3.950  0.949  1.115      20.108     28.492  0  0
    832 {47.H}    9.706  0.025  0.050 {47.N}  123.966  0.163  0.294 {60.HB3}    3.901  0.847  1.509      33.928     12.746  0  0
    833 {?}    9.289  0.022  0.044 {?}  123.734  0.120  0.172 {?}    3.254  1.119  1.627     217.075      3.824  0  0
    834 {?}    8.391  0.022  0.044 {?}  123.708  0.120  0.172 {?}    3.005  1.119  1.627     439.239      3.525  0  0
    835 {?}    8.702  0.031  0.058 {?}  123.943  0.133  0.235 {?}    2.983  1.014  1.939      30.098     24.233  0  0
    836 {115.H}    8.821  0.026  0.037 {115.N}  123.992  0.176  0.241 {115.HB3}    2.843  0.905  1.193    1351.182      2.231  0  0
    837 {?}    8.705  0.013  0.028 {?}  123.869  0.079  0.130 {?}    2.705  0.964  1.967      39.381      2.600  0  0
    838 {115.H}    8.824  0.026  0.049 {115.N}  123.944  0.153  0.235 {114.HD2}    2.661  0.827  1.714     172.198      2.558  0  0
    839 {?}    8.695  0.034  0.050 {?}  123.941  0.093  0.293 {?}    2.528  0.939  1.341      35.966     24.547  0  0
    840 {166.H}    8.704  0.027  0.063 {166.N}  123.889  0.128  0.236 {165.HB2}    1.985  0.852  1.948    7372.795     29.547  0  0
    841 {166.H 166.H}    8.704  0.028  0.067 {166.N 166.N}  123.896  0.150  0.214 {165.HB3 165.HG2}    1.641  0.810  2.226     839.756      5.760  0  0
    842 {?}    8.704  0.031  0.083 {?}  123.865  0.151  0.259 {?}    0.600  0.991  1.937    1756.078      6.151  0  0
    843 {115.H}    8.819  0.037  0.052 {115.N}  123.956  0.172  0.266 {105.HD12}    0.239  1.303  2.080     198.422     52.132  0  0
    844 {58.H}    9.285  0.032  0.082 {58.N}  123.628  0.101  0.144 {58.H}    9.284  0.880  2.003    4005.312      6.118  0  0
    845 {162.H}    8.326  0.028  0.065 {162.N}  123.499  0.211  0.301 {161.H}    9.252  1.013  1.764    1699.492      3.022  0  0
    846 {157.H}    8.387  0.043  0.083 {157.N}  123.668  0.133  0.190 {116.H}    9.203  1.048  2.084      61.948      2.951  0  0
    847 {2.H}    8.901  0.020  0.040 {2.N}  123.556  0.192  0.274 {3.H}    9.089  1.093  1.029     360.972      9.220  0  0
    848 {157.H}    8.389  0.016  0.046 {157.N}  123.625  0.166  0.243 {158.H}    9.025  1.155  1.700     459.176      1.632  0  0
    849 {58.H}    9.286  0.026  0.025 {58.N}  123.598  0.126  0.260 {57.H}    8.992  0.972  0.931     556.084     14.801  0  0
    850 {157.H}    8.335  0.029  0.055 {157.N}  123.582  0.149  0.261 {158.H}    9.005  0.864  1.755      59.787      3.892  0  0
    851 {2.H}    8.902  0.027  0.049 {2.N}  123.567  0.126  0.181 {2.H}    8.901  0.954  1.363    8334.489     12.935  0  0
    852 {58.H}    9.285  0.029  0.086 {58.N}  123.591  0.093  0.291 {115.H}    8.817  0.981  2.007     362.738     16.123  0  0
    853 {157.H}    8.389  0.029  0.086 {157.N}  123.656  0.093  0.291 {117.H}    8.801  0.981  2.007    1136.152     14.140  0  0
    854 {?}    9.287  0.016  0.041 {?}  123.624  0.104  0.157 {?}    8.676  1.117  1.411       5.481      4.466  0  0
    855 {?}    8.901  0.034  0.063 {?}  123.493  0.144  0.207 {?}    8.684  1.000  1.582     203.949      8.208  0  0
    856 {162.H}    8.328  0.021  0.040 {162.N}  123.538  0.122  0.286 {160.H}    8.681  1.239  1.892     222.294     10.294  0  0
    857 {?}    8.902  0.026  0.057 {?}  123.507  0.165  0.236 {?}    8.529  0.860  1.843     147.168     12.436  0  0
    858 {157.H}    8.390  0.015  0.030 {157.N}  123.648  0.089  0.183 {157.H}    8.403  0.368  0.628    7456.264      2.039  0  0
    859 {157.H 162.H}    8.327  0.022  0.039 {157.N 162.N}  123.496  0.067  0.107 {157.H 162.H}    8.341  0.268  0.948   19152.443      6.286  0  0
    860 {?}    8.904  0.047  0.067 {?}  123.636  0.193  0.276 {?}    8.187  0.946  1.351      44.419     15.812  0  0
    861 {?}    8.901  0.025  0.273 {?}  123.571  0.105  0.301 {?}    8.005  1.132  1.618     108.901      1.724  0  0
    862 {162.H}    8.328  0.032  0.127 {162.N}  123.499  0.077  0.241 {164.H}    7.925  1.128  1.967     870.221     11.698  0  0
    863 {2.H}    8.905  0.032  0.082 {2.N}  123.596  0.220  0.315 {107.H}    7.823  1.263  1.805     184.490      3.257  0  0
    864 {58.H}    9.287  0.034  0.072 {58.N}  123.630  0.208  0.297 {114.H}    7.687  1.139  2.109     409.575      5.238  0  0
    865 {162.H}    8.326  0.046  0.097 {162.N}  123.495  0.102  0.145 {163.H}    7.669  1.013  1.447    3922.575      2.395  0  0
    866 {?}    8.904  0.025  0.047 {?}  123.615  0.078  0.234 {?}    7.570  1.162  1.659       5.394      3.554  0  0
    867 {?}    9.284  0.025  0.047 {?}  123.623  0.078  0.234 {?}    7.498  1.162  1.659     124.036      1.575  0  0
    868 {?}    8.326  0.025  0.047 {?}  123.496  0.078  0.234 {?}    7.512  1.162  1.659    1956.729      2.356  0  0
    869 {?}    8.901  0.025  0.047 {?}  123.576  0.078  0.234 {?}    7.449  1.162  1.659     177.429      3.698  0  0
    870 {2.H}    8.902  0.017  0.025 {2.N}  123.571  0.075  0.115 {107.HD22}    7.279  0.421  0.645    1078.744      2.963  0  0
    871 {?}    9.282  0.026  0.066 {?}  123.626  0.090  0.211 {?}    7.265  0.832  1.873     411.911     18.535  0  0
    872 {2.H}    8.904  0.026  0.066 {2.N}  123.549  0.090  0.211 {107.HD21}    7.174  0.832  1.873     682.754     18.535  0  0
    873 {58.H}    9.284  0.031  0.082 {58.N}  123.623  0.160  0.228 {115.HD1}    7.120  0.959  2.087    1214.859      4.403  0  0
    874 {?}    8.388  0.031  0.097 {?}  123.660  0.071  0.270 {?}    7.109  0.937  2.381     864.931      3.137  0  0
    875 {?}    8.902  0.041  0.075 {?}  123.620  0.119  0.239 {?}    7.022  1.201  2.097     112.671      4.515  0  0
    876 {?}    8.326  0.037  0.052 {?}  123.521  0.219  0.313 {?}    7.007  0.931  1.955     570.821      3.522  0  0
    877 {?}    8.902  0.019  0.028 {?}  123.589  0.050  0.078 {?}    6.896  0.938  1.786       7.787      3.727  0  0
    878 {?}    8.327  0.031  0.277 {?}  123.526  0.128  0.183 {?}    6.817  1.029  1.471     203.878      5.370  0  0
    879 {?}    8.328  0.025  0.043 {?}  123.566  0.126  0.203 {?}    6.676  0.828  1.451      64.905      7.285  0  0
    880 {?}    8.903  0.033  0.090 {?}  123.599  0.103  0.292 {?}    6.514  1.049  1.947      45.804      2.272  0  0
    881 {?}    8.324  0.033  0.090 {?}  123.405  0.103  0.292 {?}    6.270  1.049  1.947     143.216      7.242  0  0
    882 {?}    8.903  0.033  0.090 {?}  123.623  0.103  0.292 {?}    6.249  1.049  1.947      44.178      7.242  0  0
    883 {?}    8.324  0.033  0.090 {?}  123.520  0.103  0.292 {?}    5.968  1.049  1.947     162.218      1.667  0  0
    884 {58.H}    9.284  0.026  0.069 {58.N}  123.655  0.154  0.239 {115.HA}    5.888  0.723  1.473     246.287     10.271  0  0
    885 {157.H}    8.395  0.030  0.038 {157.N}  123.683  0.126  0.181 {115.HA}    5.889  0.805  1.019      65.770     57.394  0  0
    886 {?}    8.908  0.030  0.038 {?}  123.641  0.126  0.181 {?}    5.794  0.805  1.019      63.651     57.394  0  0
    887 {?}    8.324  0.036  0.058 {?}  123.554  0.089  0.136 {?}    5.793  0.869  1.286     339.125     37.430  0  0
    888 {?}    9.288  0.036  0.058 {?}  123.665  0.089  0.136 {?}    5.668  0.869  1.286     215.038     37.430  0  0
    889 {?}    8.901  0.036  0.058 {?}  123.541  0.089  0.136 {?}    5.613  0.869  1.286      96.947     37.430  0  0
    890 {?}    8.329  0.032  0.122 {?}  123.524  0.134  0.254 {?}    5.528  1.181  2.122      70.024      5.270  0  0
    891 {?}    8.902  0.037  0.049 {?}  123.552  0.178  0.217 {?}    5.457  1.087  1.366     176.618     52.074  0  0
    892 {?}    8.900  0.037  0.049 {?}  123.526  0.178  0.217 {?}    5.352  1.087  1.366     167.913     52.074  0  0
    893 {?}    8.328  0.027  0.017 {?}  123.548  0.098  0.062 {?}    5.342  0.976  0.614     240.998      4.567  0  0
    894 {?}    9.284  0.030  0.068 {?}  123.637  0.079  0.249 {?}    5.238  1.110  1.976     643.959     24.794  0  0
    895 {?}    8.902  0.030  0.068 {?}  123.494  0.079  0.249 {?}    5.220  1.110  1.976     120.404     24.794  0  0
    896 {?}    9.284  0.026  0.048 {?}  123.578  0.142  0.285 {?}    5.109  1.058  1.851     533.113      5.416  0  0
    897 {?}    8.903  0.033  0.082 {?}  123.593  0.115  0.201 {?}    5.079  0.968  1.765     291.764     22.005  0  0
    898 {?}    8.901  0.032  0.034 {?}  123.546  0.157  0.164 {?}    4.951  1.358  1.404     298.361      5.954  0  0
    899 {?}    9.285  0.044  0.070 {?}  123.612  0.157  0.206 {?}    4.866  1.129  1.734     309.068      6.125  0  0
    900 {162.H}    8.326  0.031  0.064 {162.N}  123.505  0.126  0.210 {160.HA}    4.882  1.148  1.968     831.320      4.165  0  0
    901 {2.H}    8.903  0.037  0.102 {2.N}  123.634  0.090  0.220 {107.HA}    4.792  0.963  1.765     216.589      4.726  0  0
    902 {157.H}    8.380  0.027  0.035 {157.N}  123.619  0.041  0.118 {116.HA}    4.751  0.748  0.982      22.374      8.194  0  0
    903 {157.H}    8.329  0.028  0.063 {157.N}  123.482  0.089  0.295 {116.HA}    4.770  0.789  1.856     354.019      6.695  0  0
    904 {?}    8.903  0.033  0.065 {?}  123.584  0.049  0.231 {?}    4.673  1.112  1.588     723.454      3.233  0  0
    905 {157.H}    8.326  0.031  0.045 {157.N}  123.484  0.107  0.194 {157.HA}    4.650  1.027  1.537     458.121      4.716  0  0
    906 {?}    8.902  0.037  0.125 {?}  123.563  0.091  0.181 {?}    4.554  1.094  1.562    1238.830     17.029  0  0
    907 {?}    8.327  0.028  0.057 {?}  123.495  0.126  0.181 {?}    4.516  0.849  1.850     623.398     10.879  0  0
    908 {?}    8.902  0.031  0.062 {?}  123.546  0.199  0.284 {?}    4.436  0.916  1.993     283.340     20.838  0  0
    909 {?}    9.288  0.039  0.093 {?}  123.594  0.192  0.274 {?}    4.375  1.092  1.811     336.074      4.544  0  0
    910 {162.H}    8.327  0.027  0.050 {162.N}  123.462  0.114  0.178 {161.HA}    4.170  1.259  1.943     415.243     63.316  0  0
    911 {?}    9.288  0.027  0.029 {?}  123.635  0.102  0.112 {?}    3.958  1.113  1.222      93.352      7.365  0  0
    912 {?}    9.285  0.027  0.029 {?}  123.599  0.102  0.112 {?}    3.832  1.113  1.222     356.343      7.365  0  0
    913 {?}    9.286  0.033  0.085 {?}  123.565  0.154  0.308 {?}    3.361  0.927  1.629     121.715      3.167  0  0
    914 {162.H}    8.326  0.028  0.054 {162.N}  123.499  0.144  0.252 {161.HB2}    3.327  0.888  1.942     869.949     11.660  0  0
    915 {58.H}    9.285  0.027  0.054 {58.N}  123.620  0.103  0.202 {57.HB2}    2.983  0.772  1.461    1334.422     65.967  0  0
    916 {162.H}    8.325  0.027  0.054 {162.N}  123.525  0.103  0.202 {160.HB2}    2.977  0.772  1.461     805.684     65.967  0  0
    917 {?}    8.902  0.029  0.056 {?}  123.578  0.096  0.218 {?}    2.916  0.930  1.771     831.145      9.382  0  0
    918 {162.H}    8.326  0.026  0.037 {162.N}  123.501  0.102  0.187 {161.HB3}    2.861  0.933  1.746    1090.359   1985.915  0  0
    919 {157.H}    8.386  0.026  0.037 {157.N}  123.595  0.102  0.187 {115.HB3}    2.847  0.933  1.746     521.811   1985.915  0  0
    920 {157.H}    8.390  0.026  0.037 {157.N}  123.638  0.102  0.187 {157.HG2}    2.689  0.933  1.746     597.402   1985.915  0  0
    921 {?}    9.285  0.034  0.080 {?}  123.626  0.146  0.209 {?}    2.617  1.138  2.102     664.905     13.262  0  0
    922 {162.H}    8.324  0.034  0.080 {162.N}  123.500  0.146  0.209 {164.HG2}    2.542  1.138  2.102     224.443     13.636  0  0
    923 {?}    8.901  0.034  0.080 {?}  123.567  0.146  0.209 {?}    2.420  1.138  2.102    1003.042   2634.902  0  0
    924 {157.H}    8.328  0.034  0.080 {157.N}  123.544  0.146  0.209 {157.HB2}    2.328  1.138  2.102    1295.259   2634.902  0  0
    925 {?}    8.390  0.034  0.080 {?}  123.646  0.146  0.209 {?}    2.277  1.138  2.102    5000.734   2634.902  0  0
    926 {?}    8.905  0.036  0.049 {?}  123.597  0.208  0.279 {?}    2.175  1.150  1.729      84.938      1.585  0  0
    927 {157.H}    8.390  0.032  0.038 {157.N}  123.658  0.087  0.219 {156.HB2}    2.139  1.147  1.405    4240.359     19.465  0  0
    928 {58.H}    9.285  0.032  0.038 {58.N}  123.612  0.087  0.219 {58.HB2}    2.102  1.147  1.405    1637.459     19.465  0  0
    929 {?}    8.326  0.032  0.038 {?}  123.509  0.087  0.219 {?}    2.077  1.147  1.405    2854.427     19.465  0  0
    930 {2.H}    8.902  0.028  0.050 {2.N}  123.558  0.145  0.216 {1.HB2}    1.952  1.031  1.754    2552.609      3.970  0  0
    931 {?}    8.389  0.047  0.060 {?}  123.636  0.088  0.146 {?}    1.953  1.109  1.584     872.082     19.985  0  0
    932 {?}    8.325  0.028  0.029 {?}  123.515  0.067  0.148 {?}    1.830  1.045  1.058    1141.526     35.553  0  0
    933 {58.H}    9.284  0.025  0.020 {58.N}  123.611  0.089  0.148 {58.HG}    1.806  0.961  0.724     909.837     21.576  0  0
    934 {157.H}    8.391  0.023  0.019 {157.N}  123.655  0.070  0.126 {156.HB3}    1.759  1.068  0.892    1426.239     44.822  0  0
    935 {2.H}    8.902  0.023  0.019 {2.N}  123.563  0.070  0.126 {2.HB2}    1.646  1.068  0.892    3216.909     44.822  0  0
    936 {58.H}    9.288  0.032  0.073 {58.N}  123.624  0.091  0.129 {59.HG12}    1.588  0.866  2.080     393.712      9.627  0  0
    937 {162.H}    8.327  0.026  0.071 {162.N}  123.498  0.183  0.334 {162.HB3}    1.583  1.063  1.932    6453.163    747.807  0  0
    938 {58.H}    9.284  0.026  0.071 {58.N}  123.629  0.183  0.334 {58.HB3}    1.413  1.063  1.932    1233.126    747.807  0  0
    939 {2.H 2.H}    8.902  0.026  0.071 {2.N 2.N}  123.563  0.183  0.334 {2.HG2 2.HG3}    1.412  1.063  1.932    3238.083    747.807  0  0
    940 {?}    8.327  0.026  0.071 {?}  123.499  0.183  0.334 {?}    1.224  1.063  1.932    2007.212    747.807  0  0
    941 {?}    9.286  0.026  0.071 {?}  123.637  0.183  0.334 {?}    1.201  1.063  1.932    1534.954    747.807  0  0
    942 {157.H}    8.389  0.026  0.071 {157.N}  123.658  0.183  0.334 {116.HG11}    1.195  1.063  1.932     961.836    747.807  0  0
    943 {?}    8.327  0.027  0.108 {?}  123.525  0.144  0.264 {?}    0.929  0.833  2.121     816.841      6.163  0  0
    944 {?}    8.389  0.016  0.033 {?}  123.657  0.211  0.301 {?}    0.903  0.862  0.859    3004.794     11.018  0  0
    945 {58.H}    9.285  0.016  0.033 {58.N}  123.619  0.211  0.301 {58.HD12}    0.828  0.862  0.859    5389.236     44.463  0  0
    946 {2.H}    8.903  0.028  0.058 {2.N}  123.595  0.110  0.158 {106.HG21}    0.699  0.878  2.001     429.748    100.758  0  0
    947 {?}    9.285  0.028  0.058 {?}  123.605  0.110  0.158 {?}    0.541  0.878  2.001     374.330    100.758  0  0
    948 {2.H 2.H}    8.902  0.032  0.108 {2.N 2.N}  123.511  0.158  0.261 {132.HD21 132.HD23}    0.547  0.995  2.107     122.484    194.008  0  0
    949 {?}    8.390  0.034  0.090 {?}  123.683  0.057  0.178 {?}    0.512  1.139  2.076     412.178    231.435  0  0
    950 {?}    8.903  0.034  0.090 {?}  123.554  0.057  0.178 {?}    0.300  1.139  2.076     104.504    231.435  0  0
    951 {?}    8.325  0.034  0.090 {?}  123.493  0.057  0.178 {?}   -0.401  1.139  2.076     124.880    231.435  0  0
    952 {?}    9.887  0.032  0.136 {?}  123.108  0.161  0.229 {?}   10.329  0.969  1.918    2449.750     50.957  0  0
    953 {113.H}    9.889  0.030  0.071 {113.N}  123.120  0.134  0.191 {113.H}    9.898  1.151  2.081    6477.556     26.144  0  0
    954 {142.H}    9.194  0.043  0.099 {142.N}  123.204  0.157  0.224 {141.H}    9.349  1.124  2.224     169.502      3.031  0  0
    955 {142.H}    9.193  0.036  0.049 {142.N}  123.195  0.076  0.110 {142.H}    9.190  1.117  1.595    3317.084      3.074  0  0
    956 {142.H}    9.193  0.030  0.103 {142.N}  123.222  0.133  0.190 {144.H}    8.952  0.954  1.908     585.833    433.419  0  0
    957 {?}    9.892  0.030  0.103 {?}  123.073  0.133  0.190 {?}    8.829  0.954  1.908      95.297    433.419  0  0
    958 {142.H}    9.192  0.030  0.103 {142.N}  123.193  0.133  0.190 {143.H}    8.817  0.954  1.908    1206.224    433.419  0  0
    959 {?}    9.194  0.030  0.054 {?}  123.207  0.182  0.261 {?}    8.548  0.789  1.516     353.867     31.896  0  0
    960 {113.H}    9.887  0.025  0.056 {113.N}  123.143  0.083  0.318 {55.HE22}    8.209  1.175  1.913      15.924      4.407  0  0
    961 {20.H}    8.751  0.025  0.030 {20.N}  123.289  0.080  0.240 {19.H}    8.136  1.113  1.311      29.892    304.212  0  0
    962 {142.H}    9.192  0.025  0.030 {142.N}  123.189  0.080  0.240 {142.HE22}    8.054  1.113  1.311     620.118    304.212  0  0
    963 {?}    9.887  0.025  0.030 {?}  123.132  0.080  0.240 {?}    7.895  1.113  1.311     606.586    304.212  0  0
    964 {113.H}    9.887  0.018  0.055 {113.N}  123.096  0.087  0.193 {114.H}    7.689  0.543  1.010     464.871      5.787  0  0
    965 {?}    9.888  0.018  0.055 {?}  123.128  0.087  0.193 {?}    7.550  0.543  1.010      75.841      5.787  0  0
    966 {142.H}    9.194  0.018  0.055 {142.N}  123.188  0.087  0.193 {124.H}    7.447  0.543  1.010     116.984      5.787  0  0
    967 {?}    9.888  0.018  0.055 {?}  123.123  0.087  0.193 {?}    7.321  0.543  1.010      91.024      5.787  0  0
    968 {?}    9.882  0.018  0.055 {?}  123.207  0.087  0.193 {?}    7.161  0.543  1.010     423.786      5.787  0  0
    969 {?}    8.327  0.030  0.070 {?}  123.353  0.126  0.181 {?}    6.467  0.789  1.914      50.648     37.706  0  0
    970 {142.H}    9.191  0.029  0.092 {142.N}  123.182  0.059  0.274 {142.HE21}    6.140  0.797  2.224     352.170      4.505  0  0
    971 {?}    9.883  0.031  0.146 {?}  123.266  0.114  0.357 {?}    5.922  0.959  1.985       9.732      2.510  0  0
    972 {?}    9.191  0.026  0.085 {?}  123.188  0.196  0.281 {?}    5.429  0.820  2.130     641.711      2.592  0  0
    973 {?}    9.191  0.026  0.085 {?}  123.187  0.196  0.281 {?}    5.202  0.820  2.130     414.225     20.874  0  0
    974 {?}    9.194  0.037  0.187 {?}  123.227  0.142  0.203 {?}    5.074  0.851  2.315     454.446      3.476  0  0
    975 {?}    9.888  0.028  0.112 {?}  123.074  0.126  0.181 {?}    4.979  1.061  2.183     147.991      8.899  0  0
    976 {?}    9.193  0.047  0.067 {?}  123.198  0.093  0.301 {?}    4.931  1.048  1.497     361.729      3.403  0  0
    977 {?}    9.191  0.024  0.127 {?}  123.187  0.110  0.158 {?}    4.729  1.138  1.626     529.531     22.413  0  0
    978 {?}    9.888  0.024  0.127 {?}  123.141  0.110  0.158 {?}    4.710  1.138  1.626     288.946     22.413  0  0
    979 {142.H}    9.192  0.024  0.127 {142.N}  123.203  0.110  0.158 {141.HB2}    4.381  1.138  1.626     419.455     22.413  0  0
    980 {113.H}    9.887  0.024  0.127 {113.N}  123.120  0.110  0.158 {112.HA}    4.179  1.138  1.626    1089.420     22.413  0  0
    981 {142.H}    9.192  0.024  0.127 {142.N}  123.196  0.110  0.158 {142.HA}    4.120  1.138  1.626     397.649     22.413  0  0
    982 {20.H}    8.752  0.030  0.083 {20.N}  123.179  0.212  0.301 {20.HB}    3.847  0.815  1.927     446.524      5.958  0  0
    983 {113.H}    9.889  0.030  0.083 {113.N}  123.141  0.212  0.301 {113.HA}    3.835  0.815  1.927     636.263      8.232  0  0
    984 {113.H}    9.887  0.030  0.083 {113.N}  123.102  0.212  0.301 {112.HD2}    3.178  0.815  1.927     218.974      1.709  0  0
    985 {?}    9.885  0.027  0.041 {?}  123.069  0.077  0.124 {?}    2.828  0.592  0.947      36.662      1.909  0  0
    986 {?}    9.193  0.032  0.044 {?}  123.179  0.099  0.149 {?}    2.808  0.852  1.296    1668.253      7.026  0  0
    987 {142.H}    9.194  0.029  0.171 {142.N}  123.190  0.111  0.187 {142.HB3}    2.556  0.810  2.184    1110.960      3.440  0  0
    988 {?}    9.885  0.029  0.171 {?}  123.100  0.111  0.187 {?}    2.463  0.810  2.184     319.860      4.869  0  0
    989 {142.H}    9.192  0.029  0.171 {142.N}  123.191  0.111  0.187 {142.HG2}    2.282  0.810  2.184    1305.946      2.767  0  0
    990 {142.H}    9.192  0.029  0.171 {142.N}  123.196  0.111  0.187 {142.HB2}    2.113  0.810  2.184    1838.847      5.208  0  0
    991 {?}    9.888  0.029  0.171 {?}  123.119  0.111  0.187 {?}    2.055  0.810  2.184    3591.169      6.496  0  0
    992 {20.H}    8.751  0.029  0.171 {20.N}  123.173  0.111  0.187 {19.HB3}    1.786  0.810  2.184     860.066      3.431  0  0
    993 {?}    9.887  0.031  0.082 {?}  123.128  0.119  0.170 {?}    1.693  0.946  2.112    2242.733      2.554  0  0
    994 {142.H}    9.188  0.024  0.154 {142.N}  123.256  0.076  0.215 {126.HG3}    1.706  1.221  1.744      15.518     12.278  0  0
    995 {20.H}    8.757  0.016  0.046 {20.N}  123.186  0.122  0.174 {19.HG3}    1.478  0.927  2.087     146.218      4.731  0  0
    996 {?}    9.192  0.016  0.046 {?}  123.189  0.122  0.174 {?}    1.456  0.927  2.087     773.368      2.398  0  0
    997 {20.H}    8.752  0.016  0.046 {20.N}  123.246  0.122  0.174 {19.HG2}    1.330  0.927  2.087     288.347      9.879  0  0
    998 {?}    8.746  0.031  0.076 {?}  123.167  0.084  0.215 {?}    1.187  1.120  2.119     426.528     16.435  0  0
    999 {?}    9.887  0.029  0.094 {?}  123.115  0.095  0.198 {?}    1.133  0.997  2.005    1455.203      4.199  0  0
   1000 {?}    9.889  0.029  0.072 {?}  123.103  0.085  0.122 {?}    0.977  0.857  2.011     583.333     30.625  0  0
   1001 {?}    9.190  0.024  0.068 {?}  123.183  0.109  0.241 {?}    0.952  1.093  2.092     475.512     23.563  0  0
   1002 {?}    9.888  0.034  0.093 {?}  123.119  0.108  0.154 {?}    0.810  1.000  1.879    4535.318     20.602  0  0
   1003 {?}    9.194  0.038  0.038 {?}  123.192  0.070  0.070 {?}    0.793  1.315  1.319     600.990      2.443  0  0
   1004 {?}    8.278  0.025  0.026 {?}  122.907  0.098  0.104 {?}    9.486  1.209  1.278     438.758      1.899  0  0
   1005 {55.H}    8.278  0.029  0.070 {55.N}  122.897  0.122  0.216 {51.H}    9.115  1.151  1.917     624.763     22.285  0  0
   1006 {7.H}    7.992  0.027  0.021 {7.N}  122.793  0.099  0.074 {3.H}    9.078  1.058  0.792     207.812      4.096  0  0
   1007 {10.H}    8.020  0.037  0.052 {10.N}  122.872  0.141  0.278 {11.H}    8.849  1.402  2.289    1588.263      2.612  0  0
   1008 {16.H 20.H}    8.719  0.030  0.069 {16.N 20.N}  122.827  0.118  0.218 {16.H 20.H}    8.725  1.128  1.932   11746.755      2.661  0  0
   1009 {16.H}    8.719  0.029  0.053 {16.N}  122.827  0.149  0.214 {17.H}    8.375  1.137  2.012     644.260      9.733  0  0
   1010 {55.H}    8.279  0.028  0.148 {55.N}  122.897  0.092  0.239 {55.H}    8.284  1.200  1.714   17646.186      2.409  0  0
   1011 {55.H}    8.279  0.028  0.035 {55.N}  122.895  0.106  0.152 {54.H}    8.161  0.409  1.078    4420.575      6.500  0  0
   1012 {16.H}    8.719  0.024  0.021 {16.N}  122.843  0.100  0.085 {13.H}    8.049  0.959  0.810     141.833      1.675  0  0
   1013 {7.H 10.H}    8.018  0.029  0.042 {7.N 10.N}  122.847  0.083  0.274 {7.H 10.H}    8.013  0.983  1.439   19743.316      6.443  0  0
   1014 {7.H 10.H}    7.994  0.030  0.056 {7.N 10.N}  122.832  0.126  0.181 {7.H 10.H}    7.991  1.226  1.861   22335.148     18.039  0  0
   1015 {?}    7.819  0.030  0.056 {?}  122.796  0.126  0.181 {?}    7.817  1.226  1.861    1288.985     18.039  0  0
   1016 {?}    7.820  0.024  0.052 {?}  122.825  0.094  0.208 {?}    7.697  0.747  1.818      92.633      2.875  0  0
   1017 {16.H}    8.718  0.024  0.052 {16.N}  122.823  0.094  0.208 {15.H}    7.611  0.747  1.818    2411.200      2.875  0  0
   1018 {7.H}    7.991  0.028  0.066 {7.N}  122.836  0.118  0.210 {6.H}    7.440  0.810  2.062    4047.393      6.283  0  0
   1019 {16.H}    8.717  0.027  0.043 {16.N}  122.833  0.087  0.180 {14.H}    7.406  1.190  1.894    2387.941     13.449  0  0
   1020 {?}    8.020  0.037  0.052 {?}  122.870  0.211  0.301 {?}    7.296  1.230  1.624    4774.535      3.632  0  0
   1021 {?}    8.280  0.020  0.021 {?}  122.929  0.122  0.130 {?}    7.141  1.025  1.085     182.495      1.922  0  0
   1022 {?}    8.719  0.035  0.119 {?}  122.862  0.145  0.253 {?}    7.081  1.181  2.118     130.390      1.518  0  0
   1023 {?}    8.017  0.015  0.022 {?}  122.868  0.122  0.096 {?}    7.040  1.473  1.237     750.824      5.812  0  0
   1024 {?}    7.992  0.015  0.022 {?}  122.853  0.122  0.096 {?}    7.041  1.473  1.237     793.544     29.520  0  0
   1025 {?}    8.281  0.015  0.022 {?}  122.914  0.122  0.096 {?}    6.961  1.473  1.237     249.099     27.329  0  0
   1026 {?}    9.889  0.030  0.057 {?}  123.017  0.126  0.181 {?}    6.904  0.745  1.198     121.567     21.583  0  0
   1027 {?}    8.278  0.030  0.057 {?}  122.892  0.126  0.181 {?}    6.699  0.745  1.198     371.031     21.583  0  0
   1028 {7.H}    8.019  0.030  0.057 {7.N}  122.858  0.126  0.181 {8.HD1}    6.706  0.745  1.198     365.497     21.583  0  0
   1029 {7.H}    7.993  0.011  0.053 {7.N}  122.847  0.150  0.215 {8.HD1}    6.708  1.062  2.200     489.402     19.397  0  0
   1030 {?}    8.718  0.011  0.053 {?}  122.828  0.150  0.215 {?}    6.510  1.062  2.200     864.669     19.397  0  0
   1031 {?}    8.019  0.011  0.053 {?}  122.853  0.150  0.215 {?}    6.510  1.062  2.200    1409.129     19.397  0  0
   1032 {?}    8.721  0.034  0.027 {?}  122.795  0.289  0.204 {?}    6.203  1.707  0.971     427.371      8.417  0  0
   1033 {?}    8.020  0.036  0.070 {?}  122.884  0.134  0.284 {?}    6.214  0.745  1.588    1048.668     22.081  0  0
   1034 {?}    8.015  0.025  0.057 {?}  122.850  0.117  0.227 {?}    5.852  1.145  1.945    1097.059      2.022  0  0
   1035 {?}    8.717  0.025  0.057 {?}  122.855  0.117  0.227 {?}    5.820  1.145  1.945     353.892      2.022  0  0
   1036 {?}    8.021  0.025  0.057 {?}  122.921  0.117  0.227 {?}    5.632  1.145  1.945     575.088      2.022  0  0
   1037 {?}    7.996  0.025  0.057 {?}  122.870  0.117  0.227 {?}    5.638  1.145  1.945     386.575      6.125  0  0
   1038 {?}    8.716  0.025  0.057 {?}  122.849  0.117  0.227 {?}    5.605  1.145  1.945      15.844     25.505  0  0
   1039 {?}    8.023  0.034  0.097 {?}  122.834  0.234  0.301 {?}    5.493  1.193  2.065     246.481     41.870  0  0
   1040 {?}    8.284  0.030  0.089 {?}  122.924  0.095  0.298 {?}    5.476  1.097  2.031     169.726     20.636  0  0
   1041 {?}    7.998  0.028  0.045 {?}  122.907  0.073  0.230 {?}    5.418  0.791  1.252     477.073   1516.930  0  0
   1042 {?}    8.018  0.025  0.029 {?}  122.787  0.169  0.188 {?}    5.351  1.102  1.333     351.855     11.599  0  0
   1043 {20.H}    8.718  0.025  0.029 {20.N}  122.829  0.169  0.188 {138.HA}    5.282  1.102  1.333     399.561     11.599  0  0
   1044 {?}    8.018  0.032  0.075 {?}  122.826  0.202  0.288 {?}    5.128  1.205  2.118     417.617    147.302  0  0
   1045 {?}    8.283  0.034  0.090 {?}  122.923  0.053  0.226 {?}    5.066  1.271  1.974     159.672     57.052  0  0
   1046 {?}    8.019  0.031  0.038 {?}  122.833  0.135  0.170 {?}    4.948  0.941  1.133     457.465    752.044  0  0
   1047 {?}    8.283  0.031  0.038 {?}  122.976  0.135  0.170 {?}    4.819  0.941  1.133     338.076    752.044  0  0
   1048 {?}    7.307  0.031  0.038 {?}  122.761  0.135  0.170 {?}    4.725  0.941  1.133     303.140    752.044  0  0
   1049 {29.H}    8.720  0.035  0.026 {29.N}  122.851  0.184  0.128 {28.HA}    4.671  0.847  0.527     379.964     21.947  0  0
   1050 {?}    7.992  0.022  0.023 {?}  122.843  0.165  0.170 {?}    4.682  0.757  0.783     654.039     28.739  0  0
   1051 {?}    8.019  0.022  0.023 {?}  122.868  0.165  0.170 {?}    4.594  0.757  0.783    1494.484     28.739  0  0
   1052 {?}    8.279  0.022  0.023 {?}  122.931  0.165  0.170 {?}    4.552  0.757  0.783     984.379     28.739  0  0
   1053 {?}    8.021  0.019  0.020 {?}  122.832  0.119  0.124 {?}    4.469  1.084  1.136     791.490     13.188  0  0
   1054 {55.H}    8.276  0.022  0.045 {55.N}  122.948  0.171  0.165 {55.HA}    4.249  1.226  1.187     186.451     36.335  0  0
   1055 {16.H}    8.717  0.028  0.049 {16.N}  122.819  0.084  0.177 {15.HA2}    4.014  0.845  1.623    1582.257      9.382  0  0
   1056 {10.H}    7.991  0.025  0.042 {10.N}  122.843  0.086  0.163 {8.HA}    4.012  1.038  1.658     471.167     48.486  0  0
   1057 {16.H}    8.718  0.026  0.029 {16.N}  122.823  0.192  0.217 {16.HA}    3.760  1.112  1.324    1515.217     20.802  0  0
   1058 {?}    8.019  0.024  0.023 {?}  122.869  0.073  0.156 {?}    3.757  1.034  1.013     249.230     31.446  0  0
   1059 {?}    7.994  0.033  0.065 {?}  122.832  0.079  0.309 {?}    3.540  0.915  2.211    3788.872     83.260  0  0
   1060 {?}    8.718  0.037  0.052 {?}  122.817  0.208  0.297 {?}    3.424  1.141  1.792     393.332     75.502  0  0
   1061 {55.H}    8.279  0.015  0.023 {55.N}  122.873  0.092  0.138 {54.HA3}    3.428  1.515  0.978    1211.666     35.027  0  0
   1062 {7.H}    8.019  0.031  0.071 {7.N}  122.873  0.101  0.144 {4.HA}    3.396  1.096  1.924    5751.969    223.360  0  0
   1063 {16.H}    8.719  0.031  0.071 {16.N}  122.874  0.101  0.144 {14.HB2}    3.255  1.096  1.924     288.289    223.360  0  0
   1064 {10.H}    8.020  0.031  0.071 {10.N}  122.864  0.101  0.144 {10.HB2}    3.147  1.096  1.924    3262.141    223.360  0  0
   1065 {?}    8.277  0.026  0.035 {?}  122.910  0.044  0.169 {?}    3.012  0.671  0.937     643.314     56.035  0  0
   1066 {7.H}    7.991  0.023  0.044 {7.N}  122.827  0.126  0.181 {6.HB3}    2.969  0.895  1.736    1408.899     17.268  0  0
   1067 {?}    8.278  0.023  0.044 {?}  122.893  0.126  0.181 {?}    2.571  0.895  1.736     443.461     42.724  0  0
   1068 {?}    7.991  0.032  0.064 {?}  122.827  0.117  0.168 {?}    2.563  0.798  1.629     933.646      2.455  0  0
   1069 {?}    8.719  0.032  0.064 {?}  122.830  0.117  0.168 {?}    2.406  0.798  1.629     490.356     13.662  0  0
   1070 {55.H}    8.279  0.032  0.064 {55.N}  122.893  0.117  0.168 {55.HB2}    2.412  0.798  1.629    2616.630    376.960  0  0
   1071 {?}    7.990  0.028  0.060 {?}  122.779  0.050  0.157 {?}    2.231  1.103  1.848     115.314    211.286  0  0
   1072 {?}    8.279  0.030  0.097 {?}  122.886  0.140  0.246 {?}    2.048  1.822  2.603    5507.651      9.065  0  0
   1073 {?}    7.992  0.037  0.052 {?}  122.844  0.199  0.301 {?}    1.947  1.170  2.069     801.636     15.802  0  0
   1074 {16.H}    8.718  0.025  0.058 {16.N}  122.838  0.121  0.229 {16.HB}    1.884  0.773  2.107    2788.954     12.197  0  0
   1075 {?}    8.279  0.025  0.187 {?}  122.928  0.088  0.276 {?}    1.784  1.201  1.716    2581.929      5.249  0  0
   1076 {?}    7.306  0.025  0.187 {?}  122.771  0.088  0.276 {?}    1.791  1.201  1.716     165.096      1.698  0  0
   1077 {10.H}    8.019  0.047  0.067 {10.N}  122.871  0.129  0.185 {9.HB1}    1.597  1.265  2.094    6873.731      2.793  0  0
   1078 {?}    9.890  0.047  0.067 {?}  123.023  0.129  0.185 {?}    1.414  1.265  2.094      83.297      2.793  0  0
   1079 {?}    8.278  0.029  0.141 {?}  122.882  0.101  0.144 {?}    1.434  1.183  2.016     486.508      4.885  0  0
   1080 {?}    7.990  0.025  0.062 {?}  122.838  0.101  0.144 {?}    1.364  0.782  2.102    1511.001     12.261  0  0
   1081 {?}    8.279  0.037  0.052 {?}  122.914  0.113  0.293 {?}    1.257  0.914  1.899    1204.869      2.970  0  0
   1082 {?}    8.715  0.028  0.097 {?}  122.871  0.135  0.263 {?}    1.176  1.085  2.064     328.156      5.412  0  0
   1083 {?}    7.991  0.028  0.097 {?}  122.832  0.135  0.263 {?}    1.083  1.085  2.064    1204.823      3.743  0  0
   1084 {16.H 16.H}    8.718  0.028  0.097 {16.N 16.N}  122.830  0.135  0.263 {16.HG11 16.HG13}    1.032  1.085  2.064    4776.976     38.846  0  0
   1085 {7.H}    7.991  0.028  0.097 {7.N}  122.837  0.135  0.263 {7.HB3}    0.822  1.085  2.064    2189.399     38.846  0  0
   1086 {55.H}    8.281  0.028  0.097 {55.N}  122.861  0.135  0.263 {56.HD22}    0.763  1.085  2.064      96.779     38.846  0  0
   1087 {?}    7.991  0.029  0.112 {?}  122.848  0.128  0.274 {?}    0.529  1.121  2.038    1150.004      6.014  0  0
   1088 {?}    7.992  0.029  0.060 {?}  122.834  0.093  0.284 {?}    0.254  0.812  1.948    4544.291      2.135  0  0
   1089 {?}    8.719  0.014  0.011 {?}  122.826  0.054  0.088 {?}    0.189  0.961  0.720    1566.164      6.765  0  0
   1090 {?}    7.992  0.036  0.050 {?}  122.811  0.118  0.228 {?}   -0.054  1.151  1.604     297.720      2.336  0  0
   1091 {108.H}    7.302  0.025  0.037 {108.N}  122.645  0.126  0.181 {110.H}    8.856  1.109  1.785      42.708      4.961  0  0
   1092 {108.H}    7.306  0.037  0.052 {108.N}  122.717  0.189  0.271 {109.H}    8.246  1.063  2.000     672.050      8.781  0  0
   1093 {108.H}    7.306  0.035  0.059 {108.N}  122.705  0.251  0.360 {107.H}    7.839  0.873  1.725    1886.904      2.891  0  0
   1094 {108.H}    7.304  0.035  0.059 {108.N}  122.667  0.251  0.360 {106.H}    7.469  0.873  1.725    1126.588     14.999  0  0
   1095 {108.H}    7.306  0.035  0.059 {108.N}  122.702  0.251  0.360 {108.H}    7.315  0.873  1.725    7150.710     14.999  0  0
   1096 {?}    7.306  0.026  0.040 {?}  122.674  0.047  0.181 {?}    6.404  1.086  1.790      29.688      1.643  0  0
   1097 {?}    8.712  0.026  0.040 {?}  122.735  0.047  0.181 {?}    6.069  1.086  1.790     346.253      1.643  0  0
   1098 {?}    8.716  0.028  0.074 {?}  122.719  0.154  0.248 {?}    5.910  1.189  2.075     210.703      2.456  0  0
   1099 {?}    7.302  0.034  0.141 {?}  122.696  0.126  0.181 {?}    4.993  1.237  1.994     188.730      8.242  0  0
   1100 {?}    8.718  0.018  0.029 {?}  122.740  0.094  0.184 {?}    4.943  0.605  1.064     287.780      6.065  0  0
   1101 {?}    7.304  0.028  0.050 {?}  122.722  0.177  0.296 {?}    4.873  1.128  2.051     177.300      7.161  0  0
   1102 {?}    7.304  0.028  0.050 {?}  122.628  0.177  0.296 {?}    4.604  1.128  2.051     395.995      2.961  0  0
   1103 {?}    7.307  0.037  0.052 {?}  122.674  0.164  0.235 {?}    4.459  1.069  1.527     514.231      2.408  0  0
   1104 {?}    7.306  0.037  0.052 {?}  122.703  0.102  0.321 {?}    4.332  1.162  2.159     420.848      8.588  0  0
   1105 {108.H}    7.306  0.037  0.052 {108.N}  122.704  0.102  0.321 {105.HA}    3.973  1.162  2.159    1216.490      8.588  0  0
   1106 {108.H}    7.306  0.024  0.041 {108.N}  122.681  0.032  0.117 {106.HA}    3.686  1.119  2.001     210.486      1.562  0  0
   1107 {?}    7.307  0.045  0.065 {?}  122.695  0.158  0.249 {?}    3.337  1.018  2.196      97.506      1.787  0  0
   1108 {?}    7.302  0.037  0.052 {?}  122.665  0.192  0.274 {?}    3.196  1.199  1.894     321.844      4.830  0  0
   1109 {108.H}    7.306  0.035  0.177 {108.N}  122.695  0.194  0.275 {108.HB2}    2.832  1.244  2.031    3514.097      1.599  0  0
   1110 {108.H}    7.306  0.029  0.211 {108.N}  122.700  0.132  0.274 {107.HB3}    2.676  1.171  1.673     920.057      1.827  0  0
   1111 {?}    7.306  0.029  0.211 {?}  122.693  0.132  0.274 {?}    2.461  1.171  1.673    2413.757      2.794  0  0
   1112 {?}    7.304  0.029  0.211 {?}  122.748  0.132  0.274 {?}    2.051  1.171  1.673     116.463     10.447  0  0
   1113 {?}    7.306  0.029  0.211 {?}  122.689  0.132  0.274 {?}    1.466  1.171  1.673    1065.019     10.447  0  0
   1114 {108.H}    7.307  0.024  0.191 {108.N}  122.666  0.150  0.279 {109.HG21}    1.252  1.594  2.278     583.494     12.494  0  0
   1115 {?}    7.310  0.029  0.096 {?}  122.655  0.160  0.252 {?}    1.136  1.286  1.836     272.835      7.835  0  0
   1116 {?}    7.306  0.029  0.096 {?}  122.695  0.160  0.252 {?}    0.816  1.286  1.836    2146.586      1.958  0  0
   1117 {?}    7.306  0.029  0.096 {?}  122.697  0.160  0.252 {?}    0.706  1.286  1.836    2131.467      7.112  0  0
   1118 {?}    7.303  0.036  0.157 {?}  122.691  0.105  0.150 {?}    0.366  1.325  1.893      35.647      1.495  0  0
   1119 {?}    7.305  0.026  0.092 {?}  122.653  0.125  0.179 {?}    0.250  1.154  1.649     186.095      4.150  0  0
   1120 {108.H}    7.307  0.026  0.092 {108.N}  122.704  0.125  0.179 {152.HD12}   -0.163  1.154  1.649      42.288      4.150  0  0
   1121 {125.H 147.H}    8.517  0.026  0.092 {125.N 147.N}  122.258  0.125  0.179 {127.H 145.H}    9.049  1.154  1.649     954.704      4.150  0  0
   1122 {147.H}    8.517  0.026  0.037 {147.N}  122.266  0.173  0.248 {148.H}    8.684  1.244  1.777    2059.095      8.290  0  0
   1123 {125.H 147.H}    8.521  0.024  0.034 {125.N 147.N}  122.241  0.088  0.221 {125.H 147.H}    8.531  0.971  3.027   10798.974      4.002  0  0
   1124 {?}    8.352  0.024  0.034 {?}  122.214  0.088  0.221 {?}    8.528  0.971  3.027     289.252      4.002  0  0
   1125 {?}    8.332  0.037  0.052 {?}  122.219  0.162  0.265 {?}    8.518  1.272  2.056     160.968      3.402  0  0
   1126 {147.H}    8.518  0.028  0.097 {147.N}  122.238  0.127  0.290 {150.H}    8.288  1.389  1.985     513.890     10.743  0  0
   1127 {125.H}    8.520  0.023  0.038 {125.N}  122.270  0.041  0.065 {142.HE22}    8.060  0.804  1.507     169.386     12.500  0  0
   1128 {?}    7.670  0.023  0.038 {?}  122.234  0.041  0.065 {?}    7.669  0.804  1.507      15.142     12.500  0  0
   1129 {125.H}    8.525  0.023  0.038 {125.N}  122.192  0.041  0.065 {124.H}    7.468  0.804  1.507     834.595     12.500  0  0
   1130 {125.H}    8.521  0.022  0.027 {125.N}  122.258  0.096  0.181 {123.H}    7.338  0.705  0.869     688.277     29.067  0  0
   1131 {112.H}   10.326  0.025  0.032 {112.N}  122.124  0.113  0.226 {112.HE}    7.124  0.882  1.149      22.506     20.335  0  0
   1132 {?}    8.519  0.025  0.032 {?}  122.270  0.113  0.226 {?}    7.005  0.882  1.149     329.209     20.335  0  0
   1133 {?}    8.519  0.027  0.041 {?}  122.280  0.072  0.115 {?}    6.488  0.791  1.342     194.320     31.933  0  0
   1134 {?}    8.514  0.029  0.023 {?}  122.240  0.046  0.032 {?}    6.346  1.050  0.731     167.267    418.768  0  0
   1135 {125.H}    8.521  0.029  0.023 {125.N}  122.244  0.046  0.032 {142.HE21}    6.151  1.050  0.731     281.174    418.768  0  0
   1136 {?}    8.519  0.029  0.023 {?}  122.306  0.046  0.032 {?}    5.825  1.050  0.731     298.146    418.768  0  0
   1137 {?}    8.111  0.017  0.007 {?}  122.149  0.045  0.019 {?}    5.835  0.786  0.331     116.721     32.233  0  0
   1138 {?}    8.520  0.017  0.007 {?}  122.235  0.045  0.019 {?}    5.431  0.786  0.331     516.391     32.233  0  0
   1139 {?}    8.521  0.017  0.007 {?}  122.217  0.045  0.019 {?}    5.305  0.786  0.331     549.820     32.233  0  0
   1140 {?}    8.524  0.017  0.007 {?}  122.204  0.045  0.019 {?}    5.192  0.786  0.331     424.825     32.233  0  0
   1141 {?}    8.520  0.017  0.007 {?}  122.261  0.045  0.019 {?}    5.073  0.786  0.331     445.565     32.233  0  0
   1142 {?}    8.516  0.017  0.007 {?}  122.289  0.045  0.019 {?}    4.889  0.786  0.331     227.613     32.233  0  0
   1143 {125.H}    8.519  0.017  0.007 {125.N}  122.253  0.045  0.019 {127.HA}    4.706  0.786  0.331     530.195     32.233  0  0
   1144 {147.H}    8.518  0.017  0.007 {147.N}  122.256  0.045  0.019 {147.HA}    4.253  0.786  0.331    2650.854     32.233  0  0
   1145 {?}    8.527  0.017  0.001 {?}  122.181  0.119  0.008 {?}    3.673  0.849  0.060    1335.787      7.572  0  0
   1146 {?}    8.517  0.014  0.001 {?}  122.267  0.113  0.007 {?}    3.376  1.469  0.109     867.040      7.176  0  0
   1147 {147.H}    8.516  0.014  0.001 {147.N}  122.274  0.113  0.007 {147.HD2}    3.254  1.469  0.109    1621.942      7.176  0  0
   1148 {?}    8.526  0.014  0.001 {?}  122.189  0.113  0.007 {?}    2.834  1.469  0.109    1701.127      7.176  0  0
   1149 {?}    8.518  0.014  0.001 {?}  122.278  0.113  0.007 {?}    2.482  1.469  0.109     376.250      7.176  0  0
   1150 {147.H}    8.516  0.014  0.001 {147.N}  122.274  0.113  0.007 {147.HB2}    2.131  1.469  0.109    6974.896      7.176  0  0
   1151 {?}    8.516  0.014  0.001 {?}  122.271  0.113  0.007 {?}    2.033  1.469  0.109    4794.659      7.176  0  0
   1152 {?}    8.182  0.014  0.001 {?}  122.292  0.113  0.007 {?}    1.954  1.469  0.109     270.300      7.176  0  0
   1153 {?}    8.517  0.024  0.037 {?}  122.265  0.087  0.149 {?}    1.896  0.932  1.598    2368.427      8.550  0  0
   1154 {147.H 147.H}    8.517  0.028  0.070 {147.N 147.N}  122.281  0.084  0.204 {146.HB2 147.HG2}    1.755  0.845  2.141     976.979     13.069  0  0
   1155 {?}    8.517  0.026  0.064 {?}  122.285  0.118  0.209 {?}    1.503  0.392  1.897     609.974      3.397  0  0
   1156 {148.H 148.H}    8.672  0.036  0.049 {148.N 148.N}  122.152  0.052  0.230 {145.HD11 145.HD12}    1.185  0.845  1.141      54.633      1.952  0  0
   1157 {?}    8.516  0.031  0.057 {?}  122.271  0.197  0.281 {?}    1.014  1.552  2.217    1427.221      3.541  0  0
   1158 {125.H 125.H}    8.527  0.023  0.023 {125.N 125.N}  122.186  0.110  0.055 {127.HG11 127.HG13}    0.793  0.540  0.772     762.021      9.253  0  0
   1159 {147.H 147.H}    8.514  0.027  0.059 {147.N 147.N}  122.282  0.137  0.224 {16.HG21 16.HG22}    0.191  0.871  1.867     109.848      4.452  0  0
   1160 {87.H 112.H}   10.328  0.037  0.052 {87.N 112.N}  121.988  0.095  0.274 {87.H 112.H}   10.331  0.791  1.002    4421.335      3.564  0  0
   1161 {?}   10.327  0.023  0.030 {?}  121.989  0.093  0.117 {?}    9.896  1.599  1.970    2297.617      3.336  0  0
   1162 {19.H}    8.131  0.023  0.030 {19.N}  121.926  0.093  0.117 {139.H}    9.494  1.599  1.970     846.975      3.336  0  0
   1163 {57.H}    8.985  0.032  0.055 {57.N}  121.954  0.092  0.196 {49.H}    9.429  0.927  1.809     576.252      2.429  0  0
   1164 {19.H}    8.134  0.032  0.055 {19.N}  121.937  0.092  0.196 {141.H}    9.321  0.927  1.809     106.464      2.429  0  0
   1165 {57.H}    8.987  0.032  0.055 {57.N}  121.968  0.092  0.196 {58.H}    9.304  0.927  1.809     275.980      2.429  0  0
   1166 {62.H}    8.936  0.032  0.055 {62.N}  121.922  0.092  0.196 {61.H}    9.123  0.927  1.809     137.164      2.517  0  0
   1167 {148.H}    8.676  0.032  0.055 {148.N}  122.004  0.092  0.196 {145.H}    9.052  0.927  1.809     109.392      2.264  0  0
   1168 {57.H}    8.984  0.019  0.013 {57.N}  121.962  0.155  0.105 {57.H}    8.980  1.154  0.790    4330.770     10.046  0  0
   1169 {26.H}    7.920  0.019  0.013 {26.N}  121.881  0.155  0.105 {27.H}    8.973  1.154  0.790      91.971     10.046  0  0
   1170 {57.H 62.H}    8.931  0.019  0.013 {57.N 62.N}  121.952  0.155  0.105 {57.H 62.H}    8.930  1.154  0.790    3742.540     10.046  0  0
   1171 {?}    8.673  0.019  0.013 {?}  122.076  0.155  0.105 {?}    8.923  1.154  0.790     113.460     10.046  0  0
   1172 {112.H}   10.330  0.019  0.013 {112.N}  121.962  0.155  0.105 {110.H}    8.844  1.154  0.790     422.977     10.046  0  0
   1173 {19.H}    8.132  0.019  0.013 {19.N}  121.871  0.155  0.105 {20.H}    8.750  1.154  0.790      40.220      5.695  0  0
   1174 {?}    8.983  0.019  0.013 {?}  121.976  0.155  0.105 {?}    8.707  1.154  0.790     485.401      5.695  0  0
   1175 {148.H}    8.674  0.019  0.013 {148.N}  121.997  0.155  0.105 {148.H}    8.681  1.154  0.790   11710.152      5.695  0  0
   1176 {151.H}    8.108  0.019  0.013 {151.N}  121.978  0.155  0.105 {148.H}    8.687  1.154  0.790      22.083     10.689  0  0
   1177 {13.H}    8.041  0.019  0.013 {13.N}  122.002  0.155  0.105 {12.H}    8.689  1.154  0.790    1837.869     10.689  0  0
   1178 {62.H}    8.930  0.019  0.013 {62.N}  121.938  0.155  0.105 {63.H}    8.633  1.154  0.790     597.263     10.689  0  0
   1179 {148.H}    8.673  0.019  0.013 {148.N}  121.970  0.155  0.105 {147.H}    8.522  1.154  0.790    1671.625      4.639  0  0
   1180 {?}    8.423  0.019  0.013 {?}  122.101  0.155  0.105 {?}    8.440  1.154  0.790     978.999      4.639  0  0
   1181 {62.H}    8.928  0.019  0.013 {62.N}  121.999  0.155  0.105 {120.H}    8.362  1.154  0.790     128.421      4.639  0  0
   1182 {151.H}    8.111  0.030  0.037 {151.N}  122.046  0.146  0.193 {150.H}    8.315  0.928  1.147    2081.213      3.500  0  0
   1183 {148.H}    8.674  0.030  0.037 {148.N}  121.988  0.146  0.193 {149.H}    8.267  0.928  1.147    1290.409      3.500  0  0
   1184 {?}   10.336  0.030  0.037 {?}  122.044  0.146  0.193 {?}    8.238  0.928  1.147      63.496      3.500  0  0
   1185 {?}    8.932  0.032  0.070 {?}  121.969  0.124  0.178 {?}    8.186  1.078  2.106     663.976      5.468  0  0
   1186 {57.H}    8.984  0.032  0.070 {57.N}  121.961  0.124  0.178 {56.H}    8.137  1.078  2.106     521.105      5.468  0  0
   1187 {19.H 151.H}    8.115  0.032  0.070 {19.N 151.N}  122.011  0.124  0.178 {19.H 151.H}    8.121  1.078  2.106   18953.289      5.468  0  0
   1188 {?}    7.792  0.030  0.039 {?}  121.913  0.048  0.301 {?}    8.091  0.725  0.891     120.388      7.303  0  0
   1189 {13.H}    8.042  0.030  0.039 {13.N}  122.006  0.048  0.301 {13.H}    8.044  0.725  0.891   18901.990      7.303  0  0
   1190 {112.H}   10.327  0.030  0.039 {112.N}  121.993  0.048  0.301 {111.H}    7.895  0.725  0.891    1373.108      7.303  0  0
   1191 {151.H}    8.111  0.026  0.048 {151.N}  122.045  0.184  0.282 {153.H}    7.884  0.883  1.639    1575.486     17.857  0  0
   1192 {?}    8.126  0.026  0.048 {?}  121.942  0.184  0.282 {?}    7.725  0.883  1.639     825.703     17.857  0  0
   1193 {?}   10.331  0.026  0.048 {?}  121.975  0.184  0.282 {?}    7.679  0.883  1.639     117.054     17.857  0  0
   1194 {62.H 57.H}    8.982  0.014  0.023 {62.N 57.N}  122.022  0.078  0.104 {65.H 114.H}    7.678  1.125  0.633     247.193     13.563  0  0
   1195 {62.H 57.H}    8.932  0.014  0.023 {62.N 57.N}  121.978  0.078  0.104 {65.H 114.H}    7.667  1.125  0.633     339.764     13.563  0  0
   1196 {13.H}    8.041  0.014  0.023 {13.N}  122.011  0.078  0.104 {15.H}    7.608  1.125  0.633    1450.402     13.563  0  0
   1197 {?}   10.330  0.014  0.023 {?}  121.963  0.078  0.104 {?}    7.524  1.125  0.633     190.152     25.444  0  0
   1198 {?}    8.112  0.016  0.037 {?}  121.975  0.167  0.174 {?}    7.516  0.889  0.942     517.276     23.911  0  0
   1199 {?}    8.930  0.016  0.037 {?}  121.954  0.167  0.174 {?}    7.511  0.889  0.942     273.753     23.911  0  0
   1200 {13.H}    8.042  0.016  0.037 {13.N}  122.009  0.167  0.174 {14.H}    7.412  0.889  0.942    7776.322     23.911  0  0
   1201 {?}    8.931  0.016  0.037 {?}  121.935  0.167  0.174 {?}    7.384  0.889  0.942     279.799     23.911  0  0
   1202 {87.H}   10.321  0.016  0.037 {87.N}  122.029  0.167  0.174 {86.HE21}    7.303  0.889  0.942     171.540     23.911  0  0
   1203 {?}    8.673  0.016  0.037 {?}  121.994  0.167  0.174 {?}    7.304  0.889  0.942    1886.047     23.911  0  0
   1204 {?}    8.113  0.025  0.013 {?}  121.998  0.090  0.046 {?}    7.246  1.082  0.551    1168.838     50.352  0  0
   1205 {62.H}    8.932  0.034  0.082 {62.N}  121.963  0.062  0.240 {121.H}    7.212  1.034  1.914     354.678     40.555  0  0
   1206 {62.H}    8.985  0.034  0.082 {62.N}  122.004  0.062  0.240 {121.H}    7.171  1.034  1.914     697.533     40.555  0  0
   1207 {151.H}    8.112  0.034  0.082 {151.N}  122.044  0.062  0.240 {152.H}    7.101  1.034  1.914    2388.060    196.438  0  0
   1208 {?}    8.676  0.031  0.097 {?}  121.977  0.126  0.179 {?}    7.041  1.036  1.480     623.976     34.950  0  0
   1209 {?}    8.932  0.034  0.071 {?}  121.909  0.192  0.274 {?}    7.008  0.805  1.688     301.884     29.834  0  0
   1210 {?}    8.985  0.034  0.071 {?}  121.937  0.192  0.274 {?}    6.923  0.805  1.688     147.528      3.029  0  0
   1211 {?}    8.938  0.031  0.070 {?}  121.941  0.148  0.261 {?}    6.810  1.488  2.126      22.415    452.287  0  0
   1212 {?}    8.985  0.031  0.070 {?}  121.968  0.148  0.261 {?}    6.698  1.488  2.126     721.747    452.287  0  0
   1213 {?}    8.110  0.031  0.070 {?}  122.035  0.148  0.261 {?}    6.569  1.488  2.126     751.349    452.287  0  0
   1214 {?}    8.672  0.034  0.097 {?}  122.006  0.206  0.301 {?}    6.512  0.916  1.965     338.659      2.480  0  0
   1215 {?}    8.042  0.029  0.060 {?}  122.011  0.163  0.293 {?}    6.502  0.882  1.922    1038.416    180.692  0  0
   1216 {?}    8.114  0.029  0.060 {?}  122.001  0.163  0.293 {?}    6.330  0.882  1.922     147.210    180.692  0  0
   1217 {?}    8.043  0.029  0.060 {?}  122.011  0.163  0.293 {?}    6.234  0.882  1.922     544.242    180.692  0  0
   1218 {?}    8.112  0.027  0.029 {?}  121.958  0.126  0.181 {?}    6.204  1.350  1.467     223.325      4.764  0  0
   1219 {?}    8.677  0.018  0.035 {?}  121.979  0.169  0.148 {?}    6.199  1.069  0.916     209.801      5.600  0  0
   1220 {?}    8.668  0.029  0.039 {?}  121.942  0.054  0.167 {?}    6.031  0.974  1.255      89.476      2.119  0  0
   1221 {?}    8.673  0.029  0.046 {?}  121.944  0.142  0.194 {?}    5.863  0.953  1.488     162.134      8.768  0  0
   1222 {13.H}    8.042  0.025  0.008 {13.N}  121.999  0.124  0.046 {14.HD2}    5.862  1.030  0.382     798.340      3.854  0  0
   1223 {?}    8.043  0.022  0.006 {?}  122.036  0.170  0.048 {?}    5.685  0.847  0.229     347.670      2.251  0  0
   1224 {?}   10.328  0.027  0.040 {?}  122.033  0.139  0.174 {?}    5.659  1.071  1.599     275.976      6.622  0  0
   1225 {?}    8.670  0.038  0.023 {?}  122.036  0.141  0.064 {?}    5.615  1.399  0.660     284.654      2.057  0  0
   1226 {?}    8.677  0.023  0.039 {?}  121.972  0.086  0.158 {?}    5.503  0.836  1.466     159.342      1.906  0  0
   1227 {?}    8.041  0.028  0.014 {?}  122.030  0.160  0.112 {?}    5.487  0.771  0.448     190.093      1.611  0  0
   1228 {?}   10.327  0.025  0.076 {?}  122.038  0.144  0.268 {?}    5.297  0.895  2.148     106.456     13.057  0  0
   1229 {?}    8.041  0.025  0.076 {?}  121.980  0.144  0.268 {?}    5.282  0.895  2.148     486.535      6.197  0  0
   1230 {?}    8.130  0.025  0.076 {?}  121.941  0.144  0.268 {?}    5.255  0.895  2.148    1630.408      4.404  0  0
   1231 {?}    8.671  0.037  0.052 {?}  122.015  0.080  0.257 {?}    5.237  1.052  1.503     418.660     10.293  0  0
   1232 {?}    8.043  0.028  0.049 {?}  121.979  0.157  0.224 {?}    5.161  1.518  2.137     458.209      2.135  0  0
   1233 {?}    8.127  0.037  0.052 {?}  121.952  0.206  0.294 {?}    5.152  0.782  1.182    1808.056      1.575  0  0
   1234 {?}    8.984  0.026  0.037 {?}  121.969  0.177  0.253 {?}    5.033  1.388  1.963     709.876     13.296  0  0
   1235 {?}    8.930  0.030  0.104 {?}  121.984  0.121  0.281 {?}    5.031  0.867  1.964     311.591     26.529  0  0
   1236 {?}    8.122  0.030  0.104 {?}  121.982  0.121  0.281 {?}    5.024  0.867  1.964    1193.579     26.529  0  0
   1237 {?}   10.331  0.030  0.104 {?}  121.952  0.121  0.281 {?}    5.000  0.867  1.964     174.422     26.529  0  0
   1238 {?}    8.676  0.028  0.050 {?}  122.031  0.192  0.274 {?}    4.980  1.018  1.879     271.139     43.943  0  0
   1239 {?}    8.042  0.028  0.050 {?}  122.026  0.192  0.274 {?}    4.969  1.018  1.879     905.862     43.943  0  0
   1240 {87.H}   10.328  0.028  0.050 {87.N}  121.996  0.192  0.274 {85.HA}    4.869  1.018  1.879     266.857     43.943  0  0
   1241 {?}    8.675  0.027  0.082 {?}  121.985  0.136  0.216 {?}    4.850  0.883  2.212     291.844     17.949  0  0
   1242 {?}    8.985  0.026  0.037 {?}  121.956  0.173  0.280 {?}    4.778  1.133  1.652     349.682    514.498  0  0
   1243 {?}    8.042  0.026  0.037 {?}  121.988  0.173  0.280 {?}    4.681  1.133  1.652    1012.758    514.498  0  0
   1244 {?}    8.931  0.026  0.037 {?}  121.951  0.173  0.280 {?}    4.662  1.133  1.652     285.878    514.498  0  0
   1245 {?}    8.118  0.026  0.037 {?}  121.975  0.173  0.280 {?}    4.654  1.133  1.652    1274.712      1.797  0  0
   1246 {?}    8.674  0.026  0.037 {?}  122.070  0.143  0.205 {?}    4.589  1.086  2.231     588.602      1.628  0  0
   1247 {?}    8.987  0.026  0.037 {?}  121.942  0.143  0.205 {?}    4.545  1.086  2.231     389.249      4.096  0  0
   1248 {?}    8.042  0.026  0.037 {?}  122.025  0.143  0.205 {?}    4.460  1.086  2.231     576.174      5.939  0  0
   1249 {?}   10.327  0.031  0.157 {?}  122.002  0.126  0.179 {?}    4.428  1.054  1.505     994.496      3.112  0  0
   1250 {?}    8.980  0.031  0.157 {?}  121.960  0.126  0.179 {?}    4.390  1.054  1.505     377.814      3.112  0  0
   1251 {62.H}    8.930  0.020  0.018 {62.N}  121.976  0.123  0.104 {121.HA}    4.249  0.882  0.733     706.127      3.977  0  0
   1252 {151.H}    8.112  0.029  0.082 {151.N}  122.037  0.094  0.135 {150.HA}    4.247  0.817  1.975    2549.188      2.806  0  0
   1253 {148.H}    8.674  0.029  0.082 {148.N}  121.987  0.094  0.135 {147.HA}    4.218  0.817  1.975    2044.412      3.897  0  0
   1254 {151.H}    8.041  0.027  0.071 {151.N}  121.969  0.140  0.254 {150.HA}    4.203  0.799  1.802     525.184      2.984  0  0
   1255 {112.H}   10.327  0.027  0.071 {112.N}  121.978  0.140  0.254 {112.HA}    4.178  0.799  1.802    1687.725      7.822  0  0
   1256 {13.H}    8.042  0.027  0.071 {13.N}  122.004  0.140  0.254 {13.HA}    4.106  0.799  1.802    1516.388      7.822  0  0
   1257 {151.H}    8.112  0.027  0.071 {151.N}  122.036  0.140  0.254 {151.HA}    4.027  0.799  1.802    1069.692      7.822  0  0
   1258 {57.H}    8.985  0.030  0.048 {57.N}  121.944  0.192  0.274 {113.HA}    3.838  0.843  1.259     318.509      5.931  0  0
   1259 {148.H}    8.674  0.030  0.048 {148.N}  121.988  0.192  0.274 {148.HB2}    3.767  0.843  1.259    1503.175      7.230  0  0
   1260 {?}    8.132  0.030  0.048 {?}  121.928  0.192  0.274 {?}    3.601  0.843  1.259      30.367     25.553  0  0
   1261 {?}    8.985  0.030  0.048 {?}  121.976  0.192  0.274 {?}    3.462  0.843  1.259     376.001     68.079  0  0
   1262 {?}    8.928  0.030  0.048 {?}  121.995  0.192  0.274 {?}    3.447  0.843  1.259     288.508     68.079  0  0
   1263 {?}    8.983  0.030  0.048 {?}  121.936  0.192  0.274 {?}    3.315  0.843  1.259     401.026     68.079  0  0
   1264 {148.H}    8.674  0.030  0.048 {148.N}  122.001  0.192  0.274 {148.HB3}    3.299  0.843  1.259    1884.315      3.498  0  0
   1265 {?}    8.129  0.026  0.032 {?}  121.950  0.130  0.146 {?}    3.263  0.957  1.091     287.566      5.446  0  0
   1266 {112.H}   10.329  0.032  0.042 {112.N}  121.983  0.152  0.212 {112.HD2}    3.178  1.249  1.787     908.979      3.024  0  0
   1267 {62.H}    8.933  0.027  0.038 {62.N}  121.948  0.090  0.301 {118.HB3}    3.180  1.050  1.938    1640.850      2.925  0  0
   1268 {62.H}    8.981  0.032  0.050 {62.N}  121.957  0.174  0.249 {118.HB3}    3.142  1.428  1.952     843.493      1.467  0  0
   1269 {19.H 19.H}    8.133  0.031  0.065 {19.N 19.N}  121.934  0.192  0.275 {19.HE2 19.HE3}    3.007  0.799  1.584     246.815      1.879  0  0
   1270 {57.H}    8.985  0.031  0.065 {57.N}  121.955  0.192  0.275 {57.HB2}    2.982  0.799  1.584    1121.410      1.769  0  0
   1271 {13.H}    8.041  0.031  0.082 {13.N}  121.993  0.146  0.265 {12.HB2}    2.858  0.865  2.121    2511.449      1.570  0  0
   1272 {?}    7.924  0.031  0.082 {?}  121.834  0.146  0.265 {?}    2.799  0.865  2.121     299.194      1.623  0  0
   1273 {?}    8.985  0.031  0.082 {?}  121.970  0.146  0.265 {?}    2.612  0.865  2.121    1178.870      1.517  0  0
   1274 {?}    8.131  0.031  0.082 {?}  121.938  0.146  0.265 {?}    2.608  0.865  2.121    2066.636     27.381  0  0
   1275 {?}    8.670  0.031  0.082 {?}  121.977  0.146  0.265 {?}    2.486  0.865  2.121      24.726      1.706  0  0
   1276 {87.H 87.H}   10.327  0.025  0.071 {87.N 87.N}  122.013  0.113  0.161 {86.HB2 87.HG2}    2.455  0.858  2.062     324.237     23.936  0  0
   1277 {?}    8.130  0.030  0.059 {?}  121.932  0.043  0.136 {?}    2.403  1.249  1.784    2939.179      1.681  0  0
   1278 {?}    8.043  0.030  0.082 {?}  121.986  0.187  0.267 {?}    2.403  0.879  1.255     264.405      5.617  0  0
   1279 {?}    8.932  0.029  0.054 {?}  121.973  0.151  0.265 {?}    2.312  1.099  1.980     779.737      2.183  0  0
   1280 {?}    8.673  0.016  0.027 {?}  122.006  0.140  0.086 {?}    2.274  1.665  1.054     578.476      1.381  0  0
   1281 {87.H}   10.327  0.026  0.022 {87.N}  122.008  0.093  0.075 {86.HB3}    2.238  1.115  0.927    1759.630      1.576  0  0
   1282 {?}    8.126  0.049  0.075 {?}  121.947  0.095  0.142 {?}    2.133  0.924  1.494    2632.705      3.425  0  0
   1283 {57.H}    8.933  0.049  0.075 {57.N}  121.956  0.095  0.142 {56.HB3}    2.100  0.924  1.494     383.393      3.425  0  0
   1284 {148.H}    8.674  0.046  0.061 {148.N}  122.004  0.116  0.172 {147.HB2}    2.118  0.795  1.021    1886.756      2.619  0  0
   1285 {?}    8.984  0.030  0.035 {?}  121.970  0.085  0.101 {?}    2.083  0.695  0.825    1628.040      2.300  0  0
   1286 {148.H}    8.674  0.052  0.072 {148.N}  122.002  0.124  0.222 {147.HB3}    2.028  1.009  1.777    2098.768      4.190  0  0
   1287 {?}    8.115  0.035  0.052 {?}  122.028  0.089  0.181 {?}    2.022  0.823  1.230    2705.210      3.756  0  0
   1288 {112.H}   10.327  0.030  0.032 {112.N}  121.993  0.109  0.115 {110.HB2}    1.964  1.044  1.102    4217.915      1.982  0  0
   1289 {62.H}    8.984  0.030  0.032 {62.N}  121.960  0.109  0.115 {62.HB2}    1.930  1.044  1.102    1023.630      1.982  0  0
   1290 {62.H}    8.931  0.030  0.032 {62.N}  121.950  0.109  0.115 {62.HB2}    1.876  1.044  1.102    1784.660      1.982  0  0
   1291 {?}    8.673  0.041  0.044 {?}  121.992  0.122  0.134 {?}    1.884  1.076  1.179    1112.960      2.145  0  0
   1292 {19.H}    8.129  0.054  0.077 {19.N}  121.935  0.101  0.181 {19.HB2}    1.789  0.803  1.358    4396.186      4.916  0  0
   1293 {148.H 148.H}    8.675  0.065  0.117 {148.N 148.N}  121.991  0.123  0.235 {146.HB2 147.HG2}    1.756  1.040  1.485     415.290      5.057  0  0
   1294 {112.H}   10.328  0.025  0.052 {112.N}  121.990  0.096  0.158 {112.HB3}    1.690  0.939  1.365    4807.936      3.082  0  0
   1295 {62.H}    8.932  0.036  0.075 {62.N}  121.964  0.092  0.131 {62.HB3}    1.699  0.901  1.230    2454.810      2.870  0  0
   1296 {62.H}    8.984  0.043  0.073 {62.N}  121.973  0.109  0.174 {62.HG}    1.638  1.061  1.933    2679.454      4.166  0  0
   1297 {?}    8.931  0.026  0.025 {?}  121.948  0.084  0.082 {?}    1.570  0.440  0.951    3431.540      1.841  0  0
   1298 {148.H}    8.674  0.042  0.089 {148.N}  121.993  0.120  0.233 {145.HB2}    1.526  0.916  1.888     325.674     10.797  0  0
   1299 {151.H}    8.112  0.025  0.020 {151.N}  122.034  0.076  0.139 {150.HB2}    1.535  1.075  0.797    5918.529      2.325  0  0
   1300 {57.H}    8.984  0.025  0.020 {57.N}  122.012  0.076  0.139 {49.HB2}    1.420  1.075  0.797     852.416      2.325  0  0
   1301 {?}    8.130  0.029  0.004 {?}  121.926  1.028  0.092 {?}    1.352  0.084  0.009    4130.753      2.725  0  0
   1302 {13.H}    8.042  0.010  0.017 {13.N}  122.002  0.820  0.510 {13.HB2}    1.189  0.092  0.063   12383.085      3.743  0  0
   1303 {?}   10.327  0.029  0.018 {?}  121.986  0.449  0.260 {?}    1.151  0.049  0.028     928.257      3.671  0  0
   1304 {57.H}    8.932  0.033  0.138 {57.N}  121.952  0.531  1.316 {56.HB2}    1.154  0.082  0.200    3298.240     46.922  0  0
   1305 {?}    8.983  0.033  0.040 {?}  121.962  0.624  0.792 {?}    1.132  0.074  0.090    2316.060      6.759  0  0
   1306 {?}   10.327  0.041  0.036 {?}  121.968  0.466  0.388 {?}    1.002  0.155  0.136     181.280      4.470  0  0
   1307 {?}    8.984  0.031  0.091 {?}  121.949  0.531  1.067 {?}    1.013  0.063  0.117    1946.770     15.632  0  0
   1308 {?}    8.673  0.035  0.035 {?}  122.005  0.637  0.640 {?}    1.017  0.047  0.104    3923.420      5.241  0  0
   1309 {?}    8.932  0.042  0.050 {?}  121.956  0.513  0.627 {?}    0.907  0.096  0.137    8361.980      6.713  0  0
   1310 {151.H}    8.111  0.031  0.057 {151.N}  122.039  0.615  1.128 {151.HB1}    0.866  0.087  0.147    5782.678     13.731  0  0
   1311 {?}   10.327  0.024  0.022 {?}  122.003  0.534  0.487 {?}    0.810  0.057  0.052    1383.749      4.790  0  0
   1312 {?}    8.984  0.032  0.062 {?}  121.967  0.579  1.128 {?}    0.768  0.088  0.157    6139.400     15.790  0  0
   1313 {62.H}    8.985  0.014  0.015 {62.N}  121.974  0.730  0.166 {44.HG22}    0.605  0.094  0.032     391.987      2.945  0  0
   1314 {148.H}    8.675  0.036  0.028 {148.N}  122.013  0.667  0.517 {149.HD23}    0.554  0.082  0.138     204.556      4.257  0  0
   1315 {?}    8.985  0.028  0.016 {?}  121.947  0.533  0.210 {?}    0.375  0.203  0.114     391.523      3.247  0  0
   1316 {151.H 151.H}    8.111  0.028  0.019 {151.N 151.N}  122.082  0.635  0.403 {152.HD22 152.HD23}    0.386  0.064  0.105     156.956      3.819  0  0
   1317 {148.H 148.H}    8.673  0.027  0.020 {148.N 148.N}  122.011  0.665  0.480 {16.HG21 16.HG22}    0.195  0.147  0.211     866.798      4.080  0  0
   1318 {19.H}    8.131  0.026  0.023 {19.N}  121.816  0.466  0.389 {16.HG23}    0.204  0.061  0.123      43.282      4.473  0  0
   1319 {62.H}    8.934  0.030  0.063 {62.N}  121.945  0.528  1.081 {67.HD12}    0.066  0.089  0.163      63.190     16.363  0  0
   1320 {?}    8.111  0.036  0.056 {?}  122.011  0.527  0.855 {?}   -0.161  0.115  0.271     139.503     10.036  0  0
   1321 {?}    7.920  0.048  0.040 {?}  121.665  0.522  0.425 {?}    6.545  0.058  0.110    1166.528      4.394  0  0
   1322 {?}    7.921  0.030  0.040 {?}  121.680  0.647  0.917 {?}    5.752  0.113  0.165    1562.177      7.561  0  0
   1323 {26.H}    7.924  0.034  0.099 {26.N}  121.739  0.535  1.137 {26.HA}    4.076  0.112  0.196    1594.820     21.523  0  0
   1324 {151.H}    8.134  0.031  0.043 {151.N}  121.747  0.513  0.751 {153.HA3}    3.827  0.135  0.246      32.253      8.785  0  0
   1325 {?}    7.924  0.032  0.148 {?}  121.743  0.526  1.277 {?}    2.461  0.110  0.209     507.942     46.878  0  0
   1326 {?}    7.923  0.027  0.007 {?}  121.766  0.624  0.169 {?}    2.164  0.072  0.020    1694.091      3.016  0  0
   1327 {?}    7.923  0.033  0.066 {?}  121.730  0.544  1.073 {?}    1.986  0.142  0.203    8097.850     14.631  0  0
   1328 {26.H}    7.924  0.033  0.095 {26.N}  121.733  0.505  1.106 {26.HG23}    0.925  0.073  0.236   10272.800     21.120  0  0
   1329 {4.H}    8.822  0.017  0.030 {4.N}  121.316  0.590  0.426 {4.H}    8.829  0.111  0.086     142.703      4.081  0  0
   1330 {9.H}    7.900  0.032  0.008 {9.N}  121.347  0.570  0.102 {11.H}    8.849  0.082  0.020     204.253      2.863  0  0
   1331 {154.H}    7.981  0.020  0.016 {154.N}  121.361  0.776  0.563 {155.H}    8.784  0.083  0.063     657.548      4.013  0  0
   1332 {9.H}    7.901  0.007  0.005 {9.N}  121.368  1.059  0.380 {12.H}    8.694  0.087  0.027      37.056      3.008  0  0
   1333 {33.H}    7.833  0.023  0.000 {33.N}  121.296  0.621  0.005 {34.H}    8.152  0.072  0.001     240.442      2.617  0  0
   1334 {4.H 4.H 4.H}    8.814  0.024  0.002 {4.N 4.N 4.N}  121.358  0.801  0.055 {5.H 7.H 8.H}    7.992  0.115  0.011      54.485      2.697  0  0
   1335 {154.H}    7.981  0.023  0.006 {154.N}  121.359  1.018  0.373 {154.H}    7.981  0.088  0.029   29125.744      3.035  0  0
   1336 {9.H}    7.901  0.033  0.058 {9.N}  121.369  0.677  1.076 {9.H}    7.904  0.074  0.104   23513.133     11.055  0  0
   1337 {154.H}    7.980  0.033  0.058 {154.N}  121.361  0.677  1.076 {153.H}    7.866  0.074  0.104    5132.041     11.055  0  0
   1338 {33.H}    7.832  0.036  0.153 {33.N}  121.280  0.712  1.706 {33.H}    7.828  0.074  0.176   10117.500     77.770  0  0
   1339 {?}    7.979  0.038  0.100 {?}  121.366  0.752  1.236 {?}    7.749  0.105  0.151    1017.157     19.505  0  0
   1340 {?}    7.902  0.027  0.019 {?}  121.373  1.002  0.683 {?}    7.638  0.162  0.109    1802.241      3.684  0  0
   1341 {?}    7.980  0.035  0.057 {?}  121.396  0.710  0.984 {?}    7.621  0.074  0.111     676.047      9.218  0  0
   1342 {?}    7.981  0.015  0.006 {?}  121.419  0.761  0.314 {?}    7.495  0.050  0.063     796.239      3.283  0  0
   1343 {?}    7.830  0.030  0.039 {?}  121.279  0.684  0.914 {?}    7.461  0.117  0.154     988.899      7.195  0  0
   1344 {?}    7.901  0.025  0.017 {?}  121.386  0.912  0.662 {?}    7.421  0.094  0.049    4279.557      3.822  0  0
   1345 {?}    7.980  0.038  0.060 {?}  121.413  0.621  0.987 {?}    7.321  0.062  0.073     811.866      9.822  0  0
   1346 {?}    7.832  0.037  0.065 {?}  121.288  0.656  1.098 {?}    7.334  0.147  0.211    1370.440     14.037  0  0
   1347 {154.H}    7.981  0.032  0.047 {154.N}  121.372  0.716  0.995 {152.H}    7.098  0.105  0.151    1722.710      8.891  0  0
   1348 {154.H}    7.901  0.041  0.047 {154.N}  121.347  0.783  0.887 {152.H}    7.100  0.172  0.246    1377.026      6.230  0  0
   1349 {?}    7.979  0.038  0.039 {?}  121.380  0.779  0.803 {?}    6.858  0.097  0.139     273.519      5.415  0  0
   1350 {?}    7.830  0.036  0.044 {?}  121.322  0.707  0.911 {?}    6.812  0.084  0.101     253.144      7.054  0  0
   1351 {?}    7.981  0.040  0.053 {?}  121.377  0.672  0.917 {?}    6.718  0.091  0.123     156.939      8.385  0  0
   1352 {?}    7.900  0.034  0.022 {?}  121.360  1.063  0.632 {?}    6.704  0.133  0.140     984.566      3.404  0  0
   1353 {9.H}    7.827  0.019  0.021 {9.N}  121.336  0.934  0.426 {8.HD1}    6.689  0.084  0.099     244.180      3.216  0  0
   1354 {?}    7.985  0.039  0.019 {?}  121.422  0.652  0.334 {?}    6.562  0.063  0.088     362.370      3.505  0  0
   1355 {?}    7.833  0.034  0.037 {?}  121.296  0.711  0.794 {?}    6.533  0.105  0.151     236.200      6.009  0  0
   1356 {?}    7.901  0.037  0.125 {?}  121.407  0.707  1.357 {?}    6.511  0.141  0.202    1305.016     34.292  0  0
   1357 {?}    7.827  0.037  0.087 {?}  121.310  0.712  1.299 {?}    6.391  0.116  0.202     263.628     28.654  0  0
   1358 {?}    7.982  0.037  0.087 {?}  121.391  0.686  1.173 {?}    6.313  0.105  0.151     564.779     18.031  0  0
   1359 {?}    7.900  0.037  0.148 {?}  121.347  0.719  1.540 {?}    6.216  0.143  0.209    1089.899     45.284  0  0
   1360 {?}    7.833  0.022  0.051 {?}  121.297  0.525  1.371 {?}    6.090  0.071  0.162      60.935     96.576  0  0
   1361 {?}    7.982  0.031  0.031 {?}  121.399  0.559  0.543 {?}    6.065  0.050  0.106     155.902      5.070  0  0
   1362 {?}    7.982  0.034  0.115 {?}  121.333  0.621  1.630 {?}    5.914  0.088  0.287     284.877     55.356  0  0
   1363 {?}    7.829  0.036  0.085 {?}  121.346  0.604  1.264 {?}    5.901  0.093  0.240      82.215     23.006  0  0
   1364 {?}    7.897  0.036  0.034 {?}  121.379  0.926  0.880 {?}    5.825  0.101  0.097     840.115      4.947  0  0
   1365 {?}    7.982  0.031  0.044 {?}  121.363  0.538  0.820 {?}    5.799  0.107  0.152     535.956      9.002  0  0
   1366 {?}    7.830  0.036  0.085 {?}  121.252  0.611  1.278 {?}    5.662  0.124  0.340     200.439     23.499  0  0
   1367 {?}    7.981  0.035  0.088 {?}  121.281  0.587  1.314 {?}    5.650  0.088  0.206     253.086     33.064  0  0
   1368 {?}    7.982  0.041  0.033 {?}  121.327  0.497  0.388 {?}    5.525  0.029  0.051     362.379      4.277  0  0
   1369 {?}    7.838  0.030  0.027 {?}  121.317  0.848  0.779 {?}    5.512  0.068  0.128     210.753      4.641  0  0
   1370 {?}    7.979  0.028  0.011 {?}  121.339  0.910  0.327 {?}    5.407  0.134  0.192     500.889      3.054  0  0
   1371 {?}    7.901  0.026  0.013 {?}  121.404  0.969  0.565 {?}    5.350  0.082  0.119     630.931      3.501  0  0
   1372 {?}    7.979  0.023  0.008 {?}  121.406  0.646  0.219 {?}    5.279  0.047  0.050     288.915      3.139  0  0
   1373 {?}    7.833  0.033  0.018 {?}  121.364  0.932  0.517 {?}    5.257  0.192  0.116     599.062      3.469  0  0
   1374 {?}    7.978  0.042  0.068 {?}  121.320  0.620  1.059 {?}    5.122  0.128  0.200     902.609     11.974  0  0
   1375 {?}    7.826  0.039  0.057 {?}  121.228  0.604  1.012 {?}    5.077  0.080  0.126      94.032      9.674  0  0
   1376 {?}    7.982  0.037  0.089 {?}  121.318  0.541  1.195 {?}    5.019  0.097  0.139     492.038     28.127  0  0
   1377 {?}    7.901  0.034  0.032 {?}  121.388  0.578  0.519 {?}    4.959  0.105  0.151    1092.148      4.733  0  0
   1378 {?}    7.981  0.039  0.047 {?}  121.360  0.624  0.774 {?}    4.875  0.147  0.211     519.338      6.569  0  0
   1379 {?}    7.830  0.037  0.049 {?}  121.307  0.593  0.840 {?}    4.642  0.104  0.168     648.843      8.026  0  0
   1380 {?}    7.982  0.036  0.033 {?}  121.393  0.611  0.532 {?}    4.487  0.105  0.151    1079.573      4.620  0  0
   1381 {?}    7.900  0.035  0.120 {?}  121.319  0.583  1.329 {?}    4.440  0.076  0.108     674.635     40.225  0  0
   1382 {9.H}    7.833  0.035  0.098 {9.N}  121.315  0.610  1.321 {9.HA}    4.376  0.153  0.218     793.974     37.053  0  0
   1383 {?}    7.981  0.035  0.083 {?}  121.357  0.561  1.202 {?}    4.251  0.105  0.151    1931.577     22.688  0  0
   1384 {154.H}    7.981  0.029  0.040 {154.N}  121.360  0.639  0.880 {154.HA}    4.022  0.098  0.138    1597.274      8.000  0  0
   1385 {33.H 33.H}    7.832  0.029  0.039 {33.N 33.N}  121.282  0.616  0.855 {32.HA2 33.HA}    3.997  0.069  0.085    3120.753      7.638  0  0
   1386 {?}    7.982  0.020  0.027 {?}  121.350  0.935  1.264 {?}    3.807  0.053  0.079     564.224      8.558  0  0
   1387 {?}    7.980  0.025  0.008 {?}  121.388  0.682  0.152 {?}    3.611  0.202  0.091     142.565      2.933  0  0
   1388 {?}    7.899  0.028  0.030 {?}  121.316  0.876  0.914 {?}    3.530  0.094  0.097     610.933      5.518  0  0
   1389 {?}    7.900  0.036  0.145 {?}  121.344  0.670  1.773 {?}    3.388  0.081  0.228    1292.809     86.671  0  0
   1390 {4.H}    8.802  0.036  0.060 {4.N}  121.395  0.733  1.183 {4.HA}    3.351  0.119  0.211      44.159     13.972  0  0
   1391 {9.H}    7.900  0.040  0.041 {9.N}  121.351  0.598  0.628 {8.HB2}    3.263  0.102  0.145    2312.122      5.484  0  0
   1392 {?}    7.901  0.028  0.047 {?}  121.354  0.765  1.085 {?}    3.127  0.086  0.141     861.681      9.716  0  0
   1393 {?}    7.982  0.022  0.014 {?}  121.429  0.837  0.634 {?}    2.987  0.102  0.071     187.264      3.837  0  0
   1394 {9.H}    7.900  0.036  0.077 {9.N}  121.341  0.655  1.224 {8.HB3}    2.991  0.075  0.144    1702.961     20.245  0  0
   1395 {33.H}    7.832  0.027  0.061 {33.N}  121.298  0.749  1.507 {31.HB2}    2.369  0.069  0.122     900.179     35.248  0  0
   1396 {33.H}    7.833  0.024  0.033 {33.N}  121.287  0.516  0.757 {34.HG3}    2.243  0.062  0.086    1306.293      8.822  0  0
   1397 {?}    7.980  0.035  0.021 {?}  121.351  0.765  0.353 {?}    2.227  0.089  0.043     768.036      3.392  0  0
   1398 {?}    7.831  0.035  0.070 {?}  121.281  0.546  1.254 {?}    2.024  0.103  0.189    3058.914     27.191  0  0
   1399 {?}    7.979  0.035  0.063 {?}  121.392  0.567  1.174 {?}    1.986  0.105  0.151    2166.132     16.521  0  0
   1400 {4.H}    8.812  0.030  0.035 {4.N}  121.365  0.800  0.890 {4.HB3}    1.949  0.100  0.111     125.260      6.015  0  0
   1401 {154.H}    7.981  0.035  0.070 {154.N}  121.363  0.543  1.239 {154.HB}    1.826  0.140  0.250    4036.341     27.015  0  0
   1402 {33.H}    7.832  0.029  0.041 {33.N}  121.277  0.610  0.951 {33.HG}    1.761  0.108  0.146    8749.872      8.436  0  0
   1403 {4.H 4.H}    8.805  0.035  0.045 {4.N 4.N}  121.363  0.533  0.691 {4.HB2 7.HB2}    1.672  0.053  0.155     216.251      7.364  0  0
   1404 {9.H}    7.900  0.034  0.085 {9.N}  121.332  0.538  1.499 {9.HB3}    1.595  0.072  0.103   10170.184     66.726  0  0
   1405 {154.H}    7.981  0.035  0.037 {154.N}  121.372  0.761  0.807 {152.HB2}    1.538  0.088  0.092    3287.617      5.586  0  0
   1406 {?}    7.832  0.035  0.080 {?}  121.283  0.621  1.164 {?}    1.502  0.117  0.156    2530.300     21.139  0  0
   1407 {?}    7.981  0.033  0.031 {?}  121.401  0.961  0.925 {?}    1.381  0.052  0.111     867.295      4.984  0  0
   1408 {?}    8.808  0.035  0.023 {?}  121.359  0.738  0.448 {?}    1.246  0.105  0.151     500.007      3.749  0  0
   1409 {4.H 4.H}    8.812  0.037  0.049 {4.N 4.N}  121.360  0.591  0.883 {4.HG2 4.HG3}    1.093  0.105  0.151     121.471      8.479  0  0
   1410 {?}    7.832  0.034  0.009 {?}  121.294  0.863  0.236 {?}    0.904  0.105  0.151    4264.268      2.994  0  0
   1411 {?}    7.981  0.033  0.037 {?}  121.361  0.740  0.812 {?}    0.831  0.147  0.211    7356.562      5.898  0  0
   1412 {154.H}    7.981  0.028  0.022 {154.N}  121.355  0.796  0.654 {149.HD22}    0.548  0.128  0.102     557.846      4.341  0  0
   1413 {4.H}    8.810  0.028  0.022 {4.N}  121.267  0.796  0.654 {132.HD21}    0.520  0.128  0.102      48.402      4.341  0  0
   1414 {?}    7.982  0.036  0.043 {?}  121.322  0.719  0.900 {?}    0.392  0.046  0.120     222.773      7.169  0  0
   1415 {?}    7.900  0.037  0.041 {?}  121.291  0.503  0.569 {?}    0.268  0.063  0.152     342.387      5.996  0  0
   1416 {154.H}    7.979  0.032  0.028 {154.N}  121.356  0.704  0.614 {105.HD11}    0.240  0.132  0.114      75.917      4.649  0  0
   1417 {?}    7.981  0.033  0.061 {?}  121.368  0.576  1.208 {?}   -0.158  0.090  0.168     329.983     18.847  0  0
   1418 {65.H}    7.670  0.033  0.061 {65.N}  120.921  0.576  1.208 {62.H}    8.925  0.090  0.168     313.663     18.847  0  0
   1419 {150.H}    8.306  0.026  0.013 {150.N}  120.891  0.795  0.319 {148.H}    8.680  0.063  0.080     261.211      3.227  0  0
   1420 {?}    7.669  0.022  0.023 {?}  120.960  0.832  0.870 {?}    8.655  0.157  0.164     481.529      5.486  0  0
   1421 {65.H}    7.670  0.035  0.019 {65.N}  120.959  0.886  0.435 {64.H}    8.197  0.147  0.211     401.219      3.454  0  0
   1422 {35.H}    7.328  0.034  0.045 {35.N}  120.972  0.561  0.710 {34.H}    8.157  0.088  0.107     420.706      6.911  0  0
   1423 {150.H}    8.306  0.040  0.022 {150.N}  120.917  0.909  0.571 {151.H}    8.114  0.134  0.192    1786.294      3.537  0  0
   1424 {35.H}    7.329  0.023  0.016 {35.N}  121.032  0.765  0.571 {32.H}    7.957  0.100  0.081      14.523      4.121  0  0
   1425 {150.H}    8.307  0.030  0.032 {150.N}  120.883  0.711  0.781 {153.H}    7.872  0.061  0.151     267.721      5.712  0  0
   1426 {35.H}    7.325  0.037  0.045 {35.N}  121.033  0.692  0.958 {33.H}    7.832  0.147  0.211     196.137      7.490  0  0
   1427 {65.H}    7.670  0.037  0.085 {65.N}  120.962  0.654  1.251 {65.H}    7.667  0.091  0.131   12085.380     32.388  0  0
   1428 {?}    7.670  0.041  0.049 {?}  120.920  0.562  0.717 {?}    7.396  0.054  0.162    1527.274      6.997  0  0
   1429 {35.H}    7.327  0.035  0.051 {35.N}  120.966  0.706  1.003 {35.H}    7.335  0.105  0.151    6099.390      8.929  0  0
   1430 {?}    8.305  0.040  0.053 {?}  120.887  0.535  0.729 {?}    7.301  0.062  0.171     551.924      7.697  0  0
   1431 {?}    7.670  0.036  0.076 {?}  121.041  0.650  1.182 {?}    7.191  0.124  0.237     583.618     20.109  0  0
   1432 {134.H}    7.832  0.023  0.017 {134.N}  121.144  0.658  0.497 {133.H}    7.065  0.088  0.158     170.949      4.187  0  0
   1433 {?}    7.670  0.033  0.067 {?}  120.904  0.545  1.092 {?}    7.041  0.102  0.154     558.912     16.648  0  0
   1434 {?}    7.674  0.037  0.158 {?}  120.954  0.679  1.800 {?}    6.893  0.084  0.174     343.502    102.312  0  0
   1435 {?}    8.304  0.037  0.158 {?}  120.909  0.679  1.800 {?}    6.814  0.084  0.174      28.039    102.312  0  0
   1436 {?}    7.323  0.037  0.073 {?}  121.077  0.700  1.071 {?}    6.610  0.140  0.201       5.598     12.874  0  0
   1437 {?}    7.669  0.038  0.042 {?}  121.000  0.674  0.794 {?}    6.532  0.104  0.118     328.716      6.210  0  0
   1438 {?}    7.670  0.031  0.020 {?}  120.960  0.917  0.505 {?}    6.420  0.105  0.074     209.699      3.668  0  0
   1439 {?}    7.790  0.031  0.020 {?}  121.087  0.917  0.505 {?}    6.265  0.105  0.074      79.420      3.668  0  0
   1440 {?}    7.671  0.035  0.069 {?}  120.994  0.572  1.304 {?}    6.257  0.159  0.230     295.700     25.930  0  0
   1441 {?}    7.670  0.025  0.031 {?}  121.015  0.633  0.823 {?}    6.137  0.072  0.086     290.545      6.861  0  0
   1442 {?}    7.801  0.035  0.085 {?}  120.910  0.543  1.371 {?}    6.104  0.078  0.111      73.327     57.967  0  0
   1443 {?}    7.668  0.035  0.085 {?}  120.891  0.543  1.371 {?}    6.007  0.078  0.111     239.795     57.967  0  0
   1444 {?}    7.798  0.026  0.009 {?}  121.026  0.900  0.290 {?}    5.925  0.190  0.271      16.439      3.123  0  0
   1445 {?}    7.674  0.029  0.021 {?}  120.912  0.699  0.431 {?}    5.851  0.106  0.074     410.837      3.773  0  0
   1446 {?}    7.324  0.030  0.009 {?}  120.917  0.918  0.372 {?}    5.661  0.063  0.022       7.673      3.141  0  0
   1447 {?}    7.321  0.034  0.038 {?}  120.968  0.711  0.834 {?}    5.429  0.131  0.147       5.596      6.244  0  0
   1448 {?}    7.670  0.027  0.018 {?}  120.919  0.740  0.449 {?}    5.366  0.098  0.140     345.840      3.795  0  0
   1449 {?}    8.305  0.026  0.015 {?}  120.973  0.764  0.395 {?}    5.136  0.063  0.035     459.917      3.563  0  0
   1450 {?}    7.670  0.036  0.041 {?}  120.983  0.517  0.609 {?}    4.978  0.077  0.086     595.498      6.334  0  0
   1451 {?}    8.307  0.034  0.164 {?}  120.901  0.533  1.720 {?}    4.880  0.082  0.146     699.664    128.758  0  0
   1452 {?}    7.672  0.033  0.057 {?}  120.951  0.547  1.024 {?}    4.608  0.077  0.135     846.656     12.217  0  0
   1453 {?}    7.328  0.041  0.043 {?}  120.949  0.767  0.802 {?}    4.601  0.049  0.112      98.118      5.519  0  0
   1454 {?}    7.327  0.032  0.144 {?}  120.885  0.555  0.794 {?}    4.491  0.080  0.136     118.031    167.443  0  0
   1455 {?}    7.326  0.034  0.056 {?}  120.980  0.542  0.914 {?}    4.369  0.211  0.301     359.038     10.130  0  0
   1456 {65.H}    7.670  0.029  0.045 {65.N}  120.934  0.545  0.809 {64.HA}    4.274  0.085  0.110    2259.310      8.111  0  0
   1457 {150.H}    8.306  0.032  0.023 {150.N}  120.884  0.791  0.497 {150.HA}    4.244  0.096  0.137    2015.425      3.822  0  0
   1458 {35.H}    7.328  0.033  0.051 {35.N}  120.969  0.493  0.891 {34.HA}    4.124  0.089  0.147     894.459     12.561  0  0
   1459 {65.H}    7.670  0.052  0.019 {65.N}  120.932  0.952  0.298 {65.HB}    4.113  0.105  0.151    1628.741      2.997  0  0
   1460 {35.H 35.H}    7.324  0.036  0.050 {35.N 35.N}  120.973  0.483  0.691 {32.HA3 33.HA}    3.963  0.075  0.110      86.383      9.087  0  0
   1461 {65.H}    7.671  0.030  0.015 {65.N}  120.940  0.634  0.249 {65.HA}    3.934  0.042  0.045     670.356      3.246  0  0
   1462 {?}    8.305  0.035  0.052 {?}  120.885  0.480  0.750 {?}    3.606  0.038  0.118     331.630     10.008  0  0
   1463 {35.H}    7.326  0.032  0.060 {35.N}  120.964  0.586  1.169 {35.HA}    3.611  0.076  0.131    1064.560     15.256  0  0
   1464 {?}    7.670  0.035  0.056 {?}  120.971  0.491  0.861 {?}    3.411  0.102  0.175      27.917     12.295  0  0
   1465 {?}    7.335  0.031  0.015 {?}  120.955  0.900  0.378 {?}    3.346  0.153  0.085      31.248      3.232  0  0
   1466 {65.H}    7.669  0.029  0.019 {65.N}  120.983  0.755  0.385 {45.HE3}    3.234  0.105  0.151     367.915      3.530  0  0
   1467 {?}    6.954  0.024  0.011 {?}  120.948  1.014  0.562 {?}    3.181  0.190  0.271      30.048      3.283  0  0
   1468 {65.H}    7.670  0.036  0.015 {65.N}  120.932  0.738  0.156 {45.HE2}    2.709  0.078  0.068     155.396      2.916  0  0
   1469 {65.H}    7.669  0.022  0.017 {65.N}  120.937  0.930  0.707 {64.HB2}    2.262  0.190  0.271    1005.237      3.989  0  0
   1470 {35.H}    7.327  0.037  0.032 {35.N}  120.928  0.625  0.507 {34.HG3}    2.249  0.081  0.150    1282.210      4.388  0  0
   1471 {?}    7.670  0.033  0.030 {?}  120.918  0.534  0.475 {?}    2.145  0.108  0.097    1558.535      4.696  0  0
   1472 {35.H}    7.326  0.024  0.003 {35.N}  120.964  0.819  0.082 {34.HB2}    2.045  0.095  0.014    2145.200      2.742  0  0
   1473 {?}    7.670  0.022  0.009 {?}  120.921  0.673  0.224 {?}    1.889  0.113  0.052    2447.890      3.128  0  0
   1474 {90.H}    7.670  0.027  0.021 {90.N}  120.921  0.947  0.649 {90.HB3}    1.706  0.190  0.271    1535.450      3.925  0  0
   1475 {35.H}    7.327  0.037  0.032 {35.N}  120.964  0.510  0.418 {35.HB}    1.704  0.098  0.080    2359.270      4.421  0  0
   1476 {90.H}    7.672  0.032  0.024 {90.N}  120.973  0.770  0.521 {90.HG}    1.567  0.147  0.211     769.715      3.901  0  0
   1477 {150.H 150.H}    8.306  0.031  0.029 {150.N 150.N}  120.907  0.569  0.524 {150.HB1 150.HB2}    1.536  0.147  0.211    6121.688      4.832  0  0
   1478 {?}    7.326  0.025  0.015 {?}  120.962  0.521  0.287 {?}    1.476  0.105  0.151     956.306      3.596  0  0
   1479 {35.H}    7.327  0.037  0.036 {35.N}  120.969  0.683  0.673 {35.HG12}    1.254  0.101  0.100    1349.540      5.138  0  0
   1480 {?}    7.670  0.023  0.021 {?}  120.931  0.484  0.441 {?}    1.151  0.147  0.211    1323.820      4.792  0  0
   1481 {?}    7.670  0.041  0.033 {?}  120.939  0.520  0.372 {?}    0.929  0.230  0.181    4070.615      4.061  0  0
   1482 {?}    7.327  0.024  0.024 {?}  120.973  0.587  0.579 {?}    0.882  0.179  0.256    2181.940      5.149  0  0
   1483 {?}    7.327  0.025  0.015 {?}  120.969  0.621  0.288 {?}    0.766  0.110  0.177    2055.370      3.393  0  0
   1484 {35.H 35.H 35.H}    7.326  0.032  0.030 {35.N 35.N 35.N}  120.954  0.552  0.520 {35.HD11 35.HD12 35.HD13}    0.309  0.147  0.211     851.780      4.926  0  0
   1485 {?}    7.670  0.026  0.026 {?}  120.953  0.560  0.572 {?}    0.068  0.039  0.086     132.351      5.329  0  0
   1486 {?}    6.954  0.030  0.041 {?}  120.656  0.539  0.745 {?}    9.485  0.105  0.151      47.118      7.786  0  0
   1487 {?}    8.212  0.027  0.021 {?}  120.644  0.595  0.406 {?}    9.478  0.147  0.211     146.720      3.957  0  0
   1488 {80.H}    8.636  0.033  0.046 {80.N}  120.713  0.611  0.987 {80.H}    8.652  0.105  0.151    7931.130      9.143  0  0
   1489 {150.H}    8.306  0.030  0.050 {150.N}  120.786  0.502  0.880 {147.H}    8.512  0.063  0.090     351.046     11.424  0  0
   1490 {150.H}    8.307  0.033  0.059 {150.N}  120.804  0.573  1.288 {150.H}    8.314  0.063  0.090   10881.109     18.751  0  0
   1491 {?}    8.123  0.033  0.114 {?}  120.713  0.738  2.017 {?}    8.300  0.079  0.124     580.667     90.778  0  0
   1492 {55.HE22}    8.212  0.034  0.029 {55.NE2}  120.680  0.620  0.504 {55.HE22}    8.218  0.092  0.078   19123.359      4.393  0  0
   1493 {55.HE21}    6.954  0.027  0.020 {55.NE2}  120.745  0.578  0.384 {55.HE22}    8.216  0.190  0.271    5091.188      3.906  0  0
   1494 {80.H}    8.638  0.036  0.046 {80.N}  120.799  0.563  0.719 {52.H}    7.686  0.065  0.088      93.209      6.981  0  0
   1495 {55.HE22}    8.212  0.032  0.032 {55.NE2}  120.666  0.536  0.545 {114.H}    7.687  0.130  0.131     464.780      5.301  0  0
   1496 {55.HE21}    6.953  0.037  0.036 {55.NE2}  120.691  0.762  0.715 {114.H}    7.687  0.105  0.151     659.626      4.982  0  0
   1497 {134.H}    7.794  0.036  0.056 {134.N}  120.742  0.497  0.895 {135.H}    7.572  0.121  0.218    2384.293     11.820  0  0
   1498 {?}    7.790  0.036  0.027 {?}  120.717  0.776  0.559 {?}    7.446  0.111  0.081     654.619      4.144  0  0
   1499 {90.H}    7.792  0.045  0.063 {90.N}  120.738  0.509  0.732 {91.H}    7.316  0.127  0.179     835.598      8.544  0  0
   1500 {150.H}    8.307  0.035  0.067 {150.N}  120.853  0.566  1.240 {152.H}    7.094  0.085  0.165    1022.676     20.960  0  0
   1501 {134.H}    7.797  0.034  0.102 {134.N}  120.757  0.513  1.275 {133.H}    7.075  0.147  0.211     620.434     40.355  0  0
   1502 {55.HE22}    8.212  0.031  0.089 {55.NE2}  120.736  0.554  1.324 {55.HE21}    6.951  0.109  0.211    3200.571     49.652  0  0
   1503 {55.HE21}    6.954  0.034  0.078 {55.NE2}  120.566  0.527  1.241 {55.HE21}    6.953  0.105  0.151    7629.374     24.713  0  0
   1504 {90.H}    7.793  0.032  0.102 {90.N}  120.755  0.735  1.852 {88.H}    6.919  0.111  0.251     304.130     76.804  0  0
   1505 {?}    8.209  0.034  0.050 {?}  120.773  0.559  0.983 {?}    6.708  0.105  0.151     389.698     10.561  0  0
   1506 {?}    6.953  0.034  0.102 {?}  120.681  0.535  1.282 {?}    6.712  0.098  0.139     563.894     41.907  0  0
   1507 {?}    7.794  0.033  0.047 {?}  120.725  0.552  0.931 {?}    6.531  0.077  0.112     360.871     10.394  0  0
   1508 {?}    8.207  0.032  0.046 {?}  120.684  0.543  0.914 {?}    6.458  0.105  0.151      15.728      9.442  0  0
   1509 {?}    6.954  0.037  0.022 {?}  120.669  0.631  0.314 {?}    6.471  0.104  0.062     478.606      3.471  0  0
   1510 {?}    7.800  0.034  0.086 {?}  120.831  0.534  1.289 {?}    6.412  0.073  0.224     104.616     34.107  0  0
   1511 {?}    8.304  0.042  0.025 {?}  120.675  0.470  0.218 {?}    6.033  0.068  0.032     327.687      3.396  0  0
   1512 {?}    8.308  0.034  0.044 {?}  120.769  0.658  1.046 {?}    5.898  0.097  0.146     200.161      8.348  0  0
   1513 {?}    7.746  0.034  0.044 {?}  120.672  0.658  1.046 {?}    5.779  0.097  0.146     151.145      8.348  0  0
   1514 {?}    7.797  0.035  0.117 {?}  120.723  0.526  1.321 {?}    5.754  0.147  0.211     338.186     52.314  0  0
   1515 {?}    8.306  0.033  0.100 {?}  120.866  0.544  1.360 {?}    5.665  0.152  0.324     223.504     58.232  0  0
   1516 {?}    7.669  0.033  0.107 {?}  120.870  0.525  1.303 {?}    5.658  0.147  0.211     328.257     46.529  0  0
   1517 {?}    7.738  0.028  0.035 {?}  120.612  0.672  0.937 {?}    5.630  0.072  0.083     192.081      6.709  0  0
   1518 {?}    8.309  0.037  0.154 {?}  120.701  0.528  1.364 {?}    5.391  0.088  0.138     171.795     74.621  0  0
   1519 {?}    7.794  0.037  0.129 {?}  120.861  0.512  1.485 {?}    5.251  0.077  0.110      47.006     67.958  0  0
   1520 {?}    6.947  0.036  0.064 {?}  120.670  0.519  0.982 {?}    5.254  0.110  0.191      59.305     12.370  0  0
   1521 {?}    6.954  0.029  0.007 {?}  120.706  0.762  0.201 {?}    5.080  0.074  0.083      16.578      2.999  0  0
   1522 {?}    8.208  0.037  0.069 {?}  120.675  0.533  1.128 {?}    5.055  0.081  0.170      15.414     18.318  0  0
   1523 {?}    8.215  0.042  0.079 {?}  120.778  0.495  1.071 {?}    4.929  0.062  0.120       7.949     17.468  0  0
   1524 {?}    6.954  0.033  0.094 {?}  120.790  0.497  1.214 {?}    4.923  0.066  0.102     212.963     25.343  0  0
   1525 {?}    6.955  0.037  0.057 {?}  120.649  0.519  0.942 {?}    4.653  0.099  0.141     114.577     11.665  0  0
   1526 {?}    8.307  0.034  0.017 {?}  120.816  0.660  0.329 {?}    4.625  0.152  0.091     816.284      3.472  0  0
   1527 {90.H}    7.793  0.025  0.015 {90.N}  120.767  0.593  0.329 {88.HA}    4.633  0.077  0.110     282.418      3.608  0  0
   1528 {?}    8.214  0.024  0.021 {?}  120.693  0.670  0.560 {?}    4.510  0.073  0.126     282.718      4.481  0  0
   1529 {?}    8.305  0.026  0.022 {?}  120.853  0.916  0.749 {?}    4.486  0.274  0.391     839.339      4.300  0  0
   1530 {134.H}    7.795  0.034  0.051 {134.N}  120.735  0.492  0.797 {135.HA}    4.490  0.105  0.151     212.883     10.265  0  0
   1531 {55.HE22}    8.216  0.049  0.017 {55.NE2}  120.727  0.751  0.274 {55.HA}    4.275  0.110  0.132     456.542      3.211  0  0
   1532 {55.HE21 55.HE21}    6.953  0.040  0.078 {55.NE2 55.NE2}  120.694  0.488  1.112 {55.HA 114.HA}    4.276  0.088  0.129     383.209     20.512  0  0
   1533 {55.HE22}    8.212  0.028  0.023 {55.NE2}  120.674  0.758  0.569 {113.HA}    3.833  0.078  0.139     276.981      4.239  0  0
   1534 {55.HE21}    6.954  0.032  0.031 {55.NE2}  120.721  0.578  0.551 {113.HA}    3.836  0.063  0.090     389.560      4.989  0  0
   1535 {?}    7.794  0.037  0.127 {?}  120.735  0.502  1.322 {?}    3.743  0.094  0.172     576.526     51.984  0  0
   1536 {134.H}    7.794  0.038  0.071 {134.N}  120.752  0.551  1.171 {132.HA}    3.530  0.070  0.104     172.063     17.853  0  0
   1537 {80.H}    8.637  0.036  0.057 {80.N}  120.733  0.499  0.924 {79.HA3}    3.409  0.061  0.188    2359.090     12.507  0  0
   1538 {134.H}    7.794  0.039  0.056 {134.N}  120.750  0.519  0.741 {134.HA}    3.340  0.063  0.090     802.446      8.324  0  0
   1539 {?}    8.307  0.038  0.047 {?}  120.737  0.535  0.659 {?}    3.287  0.147  0.211     277.316      6.794  0  0
   1540 {80.H}    8.638  0.038  0.068 {80.N}  120.740  0.457  0.666 {80.HA}    3.135  0.147  0.211    1382.480      9.632  0  0
   1541 {?}    8.637  0.039  0.072 {?}  120.756  0.469  0.927 {?}    3.007  0.072  0.192     633.575     16.754  0  0
   1542 {?}    6.956  0.034  0.084 {?}  120.596  0.510  1.162 {?}    2.997  0.170  0.256      57.029     23.128  0  0
   1543 {?}    8.212  0.033  0.017 {?}  120.763  0.694  0.273 {?}    2.989  0.086  0.034      59.986      3.246  0  0
   1544 {?}    7.796  0.037  0.110 {?}  120.691  0.518  1.327 {?}    2.973  0.088  0.213     303.441     38.326  0  0
   1545 {90.H}    7.794  0.034  0.090 {90.N}  120.716  0.498  1.097 {89.HA}    2.791  0.138  0.197    1041.697     21.410  0  0
   1546 {55.HE21}    6.954  0.036  0.069 {55.NE2}  120.647  0.519  1.115 {114.HD2}    2.669  0.105  0.151     313.616     17.245  0  0
   1547 {55.HE22}    8.208  0.038  0.078 {55.NE2}  120.684  0.474  1.000 {114.HD2}    2.661  0.057  0.191     275.473     18.998  0  0
   1548 {134.H}    7.794  0.038  0.078 {134.N}  120.733  0.474  1.000 {134.HB3}    2.464  0.057  0.191     971.012     18.998  0  0
   1549 {55.HE22}    8.212  0.038  0.078 {55.NE2}  120.717  0.474  1.000 {55.HB2}    2.409  0.057  0.191     492.899     18.998  0  0
   1550 {55.HE21}    6.953  0.037  0.076 {55.NE2}  120.704  0.508  1.139 {55.HB2}    2.409  0.076  0.163     561.573     18.990  0  0
   1551 {?}    8.306  0.037  0.076 {?}  120.832  0.508  1.139 {?}    2.265  0.076  0.163    1366.843     18.990  0  0
   1552 {55.HE22}    8.216  0.025  0.019 {55.NE2}  120.710  0.768  0.541 {114.HD3}    2.242  0.077  0.056     646.923      3.966  0  0
   1553 {55.HE21}    6.956  0.025  0.029 {55.NE2}  120.713  0.574  0.676 {114.HD3}    2.242  0.074  0.085     619.450      6.334  0  0
   1554 {?}    7.791  0.026  0.009 {?}  120.739  0.950  0.224 {?}    2.170  0.149  0.061    1314.262      2.947  0  0
   1555 {55.HE22}    8.213  0.041  0.006 {55.NE2}  120.685  0.723  0.158 {55.HB3}    2.057  0.110  0.032    3025.316      2.922  0  0
   1556 {55.HE21}    6.952  0.035  0.091 {55.NE2}  120.728  0.515  1.188 {55.HB3}    2.058  0.082  0.149    1847.538     22.146  0  0
   1557 {150.H}    8.306  0.036  0.080 {150.N}  120.856  0.518  1.161 {149.HB2}    1.996  0.074  0.160    4706.001     21.310  0  0
   1558 {?}    8.632  0.032  0.025 {?}  120.750  0.866  0.631 {?}    1.890  0.070  0.110      19.322      3.936  0  0
   1559 {?}    8.307  0.034  0.043 {?}  120.762  0.570  0.902 {?}    1.816  0.117  0.195    5346.433      9.045  0  0
   1560 {55.HE22}    8.211  0.030  0.037 {55.NE2}  120.703  0.530  0.659 {55.HG3}    1.802  0.066  0.086    2728.951      6.880  0  0
   1561 {55.HE21}    6.953  0.034  0.032 {55.NE2}  120.737  0.694  0.673 {55.HG3}    1.800  0.063  0.133    1333.159      5.045  0  0
   1562 {?}    7.794  0.035  0.070 {?}  120.764  0.535  1.292 {?}    1.738  0.067  0.096    5985.555     21.505  0  0
   1563 {?}    8.639  0.035  0.070 {?}  120.729  0.535  1.292 {?}    1.698  0.067  0.096     349.910     21.505  0  0
   1564 {?}    8.637  0.036  0.042 {?}  120.765  0.545  0.638 {?}    1.502  0.077  0.090    3234.860      6.285  0  0
   1565 {?}    7.794  0.035  0.037 {?}  120.730  0.542  0.560 {?}    1.422  0.078  0.080    2208.209      5.397  0  0
   1566 {90.H}    7.744  0.027  0.018 {90.N}  120.583  0.745  0.476 {89.HB2}    1.433  0.101  0.073     455.919      3.783  0  0
   1567 {80.H}    8.638  0.029  0.037 {80.N}  120.759  0.700  0.884 {80.HG3}    1.380  0.161  0.266    1925.140      7.046  0  0
   1568 {55.HE22}    8.211  0.032  0.050 {55.NE2}  120.685  0.690  1.069 {114.HB2}    1.248  0.090  0.165    2348.718     13.390  0  0
   1569 {55.HE21}    6.954  0.024  0.043 {55.NE2}  120.711  1.528  2.437 {114.HB2}    1.245  0.069  0.115    2505.393     22.689  0  0
   1570 {?}    8.211  0.036  0.067 {?}  120.708  1.144  1.693 {?}    1.134  0.070  0.123    1414.183     25.245  0  0
   1571 {?}    6.954  0.022  0.028 {?}  120.700  0.598  0.838 {?}    1.135  0.057  0.081    1909.543      7.221  0  0
   1572 {?}    8.307  0.030  0.057 {?}  120.834  0.735  1.195 {?}    1.006  0.087  0.175    2264.513     19.392  0  0
   1573 {80.H}    8.637  0.027  0.019 {80.N}  120.746  0.606  0.350 {80.HG2}    0.932  0.099  0.064     238.790      3.669  0  0
   1574 {?}    8.307  0.027  0.034 {?}  120.682  0.690  0.860 {?}    0.865  0.109  0.145    1955.769      7.093  0  0
   1575 {?}    8.213  0.036  0.029 {?}  120.692  0.723  0.543 {?}    0.804  0.147  0.113     790.615      4.194  0  0
   1576 {?}    6.954  0.023  0.014 {?}  120.722  0.880  0.594 {?}    0.799  0.147  0.211     754.709      3.639  0  0
   1577 {?}    8.306  0.025  0.024 {?}  120.823  0.626  0.587 {?}    0.555  0.147  0.211     611.240      4.909  0  0
   1578 {55.HE22}    8.212  0.037  0.039 {55.NE2}  120.749  0.655  0.741 {114.HB3}    0.561  0.097  0.104     202.132      5.895  0  0
   1579 {55.HE21}    6.954  0.029  0.018 {55.NE2}  120.721  0.721  0.415 {114.HB3}    0.554  0.200  0.164     310.047      3.666  0  0
   1580 {?}   10.339  0.027  0.031 {?}  120.455  0.678  0.798 {?}   10.342  0.147  0.211      37.826      6.247  0  0
   1581 {46.H}    8.311  0.030  0.059 {46.N}  120.350  0.686  1.121 {47.H}    9.716  0.190  0.271     262.672     16.390  0  0
   1582 {30.H}    9.640  0.031  0.089 {30.N}  120.354  0.711  1.683 {30.H}    9.649  0.086  0.180    3231.810     90.428  0  0
   1583 {46.H}    8.315  0.033  0.015 {46.N}  120.298  0.721  0.279 {45.H}    9.140  0.075  0.036     350.188      3.231  0  0
   1584 {90.H 134.H}    7.744  0.031  0.076 {90.N 134.N}  120.463  0.707  1.489 {90.H 134.H}    7.745  0.094  0.211   14969.020     48.635  0  0
   1585 {30.H}    9.640  0.032  0.080 {30.N}  120.399  0.715  1.480 {31.H}    7.622  0.040  0.186     514.052     41.251  0  0
   1586 {134.H}    7.744  0.031  0.040 {134.N}  120.485  0.771  1.007 {135.H}    7.558  0.153  0.208    1997.090      8.123  0  0
   1587 {46.H}    8.316  0.031  0.048 {46.N}  120.350  0.728  1.075 {46.HD21}    7.537  0.094  0.155    1010.727     10.449  0  0
   1588 {90.H}    7.744  0.030  0.075 {90.N}  120.459  0.701  1.235 {91.H}    7.348  0.070  0.163    4282.385     32.199  0  0
   1589 {?}    7.745  0.029  0.038 {?}  120.448  0.697  0.894 {?}    7.177  0.072  0.095     890.617      7.762  0  0
   1590 {90.H}    7.743  0.029  0.038 {90.N}  120.458  0.697  0.894 {88.H}    6.942  0.072  0.095     972.475      7.762  0  0
   1591 {46.H}    8.312  0.024  0.031 {46.N}  120.395  1.042  0.366 {46.HD22}    6.571  0.093  0.048     708.662      3.183  0  0
   1592 {?}    7.743  0.024  0.031 {?}  120.507  1.042  0.366 {?}    6.504  0.093  0.048     455.108      3.183  0  0
   1593 {?}    7.743  0.024  0.031 {?}  120.440  1.042  0.366 {?}    6.233  0.093  0.048     134.455      3.183  0  0
   1594 {?}    8.313  0.031  0.077 {?}  120.368  0.707  1.521 {?}    6.166  0.079  0.202     828.479     54.525  0  0
   1595 {?}    7.739  0.031  0.077 {?}  120.418  0.707  1.521 {?}    6.080  0.079  0.202     296.629     54.525  0  0
   1596 {?}    7.746  0.038  0.139 {?}  120.500  0.615  1.412 {?}    5.934  0.078  0.217     337.088     65.618  0  0
   1597 {?}    7.739  0.037  0.092 {?}  120.528  0.630  1.243 {?}    5.538  0.083  0.119     265.093     19.489  0  0
   1598 {?}    7.743  0.028  0.023 {?}  120.517  0.887  0.727 {?}    5.286  0.105  0.151     168.840      4.170  0  0
   1599 {?}    7.744  0.024  0.004 {?}  120.473  0.728  0.127 {?}    5.052  0.089  0.017     266.991      2.850  0  0
   1600 {?}    7.744  0.036  0.114 {?}  120.396  0.836  1.465 {?}    4.863  0.073  0.121     379.247     19.361  0  0
   1601 {?}    7.743  0.037  0.052 {?}  120.449  1.169  1.670 {?}    4.677  0.061  0.107     635.537     16.992  0  0
   1602 {?}    9.640  0.034  0.048 {?}  120.447  0.708  0.862 {?}    4.331  0.159  0.228     237.905      6.677  0  0
   1603 {90.H}    7.744  0.015  0.033 {90.N}  120.446  0.667  0.685 {87.HA}    4.279  0.134  0.192    1005.843      5.359  0  0
   1604 {30.H}    9.639  0.034  0.065 {30.N}  120.343  0.687  1.113 {30.HA}    4.084  0.111  0.271     830.984     12.131  0  0
   1605 {90.H}    7.743  0.037  0.024 {90.N}  120.470  0.638  0.372 {90.HA}    4.073  0.101  0.154     732.071      3.679  0  0
   1606 {30.H}    9.641  0.041  0.027 {30.N}  120.323  0.732  0.459 {29.HA}    3.809  0.105  0.151     289.030      3.822  0  0
   1607 {134.H}    7.746  0.030  0.033 {134.N}  120.442  0.535  0.580 {132.HA}    3.591  0.088  0.093      28.216      5.694  0  0
   1608 {?}    9.637  0.033  0.042 {?}  120.377  0.574  0.733 {?}    3.278  0.090  0.110      88.184      6.957  0  0
   1609 {90.H 134.H}    7.743  0.036  0.052 {90.N 134.N}  120.486  0.565  0.834 {89.HA 134.HB2}    2.773  0.076  0.283    1054.769      8.718  0  0
   1610 {?}    8.315  0.036  0.052 {?}  120.309  0.591  0.929 {?}    2.581  0.064  0.167    1003.829      8.907  0  0
   1611 {?}    9.640  0.029  0.043 {?}  120.378  0.568  0.887 {?}    2.427  0.031  0.095     984.880      9.193  0  0
   1612 {90.H 134.H}    7.743  0.037  0.072 {90.N 134.N}  120.478  0.615  1.166 {91.HG3 134.HB3}    2.439  0.073  0.112    1047.997     19.191  0  0
   1613 {30.H}    9.639  0.037  0.072 {30.N}  120.374  0.615  1.166 {30.HG2}    2.324  0.073  0.112    1436.260     19.191  0  0
   1614 {?}    7.743  0.028  0.008 {?}  120.462  0.643  0.152 {?}    2.206  0.104  0.029    3755.944      2.958  0  0
   1615 {?}    8.311  0.016  0.030 {?}  120.557  0.888  0.814 {?}    2.135  0.149  0.130    3404.717      4.697  0  0
   1616 {?}    7.744  0.037  0.066 {?}  120.467  0.583  0.992 {?}    2.081  0.147  0.211    1979.353     10.702  0  0
   1617 {30.H}    9.640  0.041  0.057 {30.N}  120.374  0.585  0.993 {30.HB2}    2.064  0.137  0.196    3585.130     10.647  0  0
   1618 {?}    7.744  0.037  0.050 {?}  120.462  0.665  0.831 {?}    1.970  0.106  0.135    5934.331      6.615  0  0
   1619 {90.H}    7.744  0.038  0.109 {90.N}  120.466  0.610  1.281 {90.HB2}    1.829  0.112  0.211    7854.607     24.550  0  0
   1620 {?}    9.640  0.038  0.111 {?}  120.348  0.613  1.308 {?}    1.746  0.094  0.240     453.406     41.343  0  0
   1621 {?}    7.744  0.039  0.025 {?}  120.475  0.538  0.235 {?}    1.681  0.062  0.074    7390.187      3.334  0  0
   1622 {90.H}    7.744  0.041  0.040 {90.N}  120.488  0.544  0.529 {90.HG}    1.561  0.065  0.063    1281.655      5.077  0  0
   1623 {?}    7.743  0.028  0.032 {?}  120.445  0.558  0.629 {?}    1.154  0.076  0.084     615.648      5.973  0  0
   1624 {30.H 30.H}    9.640  0.022  0.008 {30.N 30.N}  120.363  0.807  0.245 {29.HG11 29.HG13}    0.980  0.110  0.042    1454.270      3.047  0  0
   1625 {?}    7.744  0.035  0.043 {?}  120.466  0.552  0.711 {?}    0.848  0.058  0.078    2378.073      7.130  0  0
   1626 {90.H 90.H}    7.743  0.034  0.055 {90.N 90.N}  120.468  0.576  0.939 {90.HD21 90.HD22}    0.687  0.071  0.107    1307.792      9.909  0  0
   1627 {12.H}    8.679  0.038  0.161 {12.N}  119.983  0.520  1.351 {11.H}    8.852  0.086  0.233    1259.386     62.171  0  0
   1628 {12.H}    8.679  0.035  0.057 {12.N}  119.974  0.581  1.034 {13.H}    8.035  0.067  0.113    2434.807     11.636  0  0
   1629 {105.H}    7.532  0.036  0.053 {105.N}  120.069  0.603  0.876 {104.H}    7.812  0.090  0.143    1089.906      8.194  0  0
   1630 {105.H}    7.533  0.033  0.050 {105.N}  120.055  0.538  0.889 {105.H}    7.530  0.058  0.087    6248.865      9.807  0  0
   1631 {12.H}    8.679  0.032  0.023 {12.N}  119.973  0.914  0.681 {14.H}    7.403  0.080  0.058    1278.530      3.822  0  0
   1632 {?}    7.532  0.033  0.025 {?}  120.050  0.813  0.593 {?}    7.299  0.042  0.074     914.076      4.117  0  0
   1633 {?}    7.533  0.031  0.049 {?}  120.044  0.592  0.900 {?}    7.035  0.066  0.094    1098.088      8.617  0  0
   1634 {?}    7.449  0.031  0.056 {?}  120.046  0.596  0.982 {?}    6.810  0.101  0.144      19.599     11.135  0  0
   1635 {?}    7.532  0.028  0.051 {?}  120.073  0.596  0.989 {?}    6.544  0.035  0.115     205.385     10.592  0  0
   1636 {?}    8.679  0.028  0.051 {?}  119.987  0.596  0.989 {?}    6.508  0.035  0.115     824.066     10.592  0  0
   1637 {?}    8.680  0.037  0.065 {?}  119.944  0.520  0.896 {?}    6.376  0.102  0.145     447.930     10.841  0  0
   1638 {?}    8.678  0.029  0.059 {?}  119.990  0.694  1.129 {?}    6.204  0.129  0.174     534.277     12.366  0  0
   1639 {?}    7.534  0.038  0.065 {?}  120.030  0.518  0.971 {?}    6.063  0.105  0.151     145.141     12.222  0  0
   1640 {?}    8.678  0.023  0.009 {?}  119.993  0.820  0.338 {?}    6.038  0.108  0.046     176.179      3.268  0  0
   1641 {?}    7.532  0.035  0.028 {?}  120.126  0.794  0.682 {?}    5.891  0.070  0.115     155.593      4.529  0  0
   1642 {12.H}    8.678  0.045  0.048 {12.N}  120.021  0.512  0.555 {14.HD2}    5.835  0.098  0.105     219.714      5.685  0  0
   1643 {?}    8.677  0.033  0.127 {?}  119.962  0.621  1.513 {?}    5.662  0.077  0.135     148.489     63.592  0  0
   1644 {?}    8.678  0.039  0.043 {?}  120.100  0.560  0.658 {?}    5.287  0.118  0.150     230.139      6.310  0  0
   1645 {?}    8.683  0.029  0.024 {?}  120.122  0.818  0.712 {?}    5.146  0.075  0.130     190.048      4.392  0  0
   1646 {?}    7.533  0.030  0.034 {?}  120.022  0.615  0.711 {?}    4.859  0.066  0.165     237.595      6.122  0  0
   1647 {?}    7.532  0.040  0.085 {?}  119.998  0.526  1.169 {?}    4.460  0.096  0.176     255.233     18.613  0  0
   1648 {?}    7.531  0.034  0.034 {?}  120.019  0.977  0.975 {?}    4.215  0.102  0.146     470.122      5.206  0  0
   1649 {12.H}    8.678  0.032  0.034 {12.N}  120.001  0.485  0.528 {13.HA}    4.092  0.157  0.165     206.169      5.730  0  0
   1650 {46.H}    8.319  0.035  0.054 {46.N}  120.009  0.513  0.739 {44.HB}    4.084  0.073  0.104      24.430      8.438  0  0
   1651 {105.H}    7.532  0.033  0.068 {105.N}  120.053  0.670  1.195 {105.HA}    3.990  0.101  0.271    1003.435     15.184  0  0
   1652 {?}    7.533  0.028  0.018 {?}  120.059  0.797  0.416 {?}    3.724  0.156  0.109     605.782      3.516  0  0
   1653 {?}    8.310  0.038  0.115 {?}  120.152  0.488  1.151 {?}    3.427  0.075  0.139      41.769     29.489  0  0
   1654 {?}    7.532  0.026  0.022 {?}  120.113  1.024  0.903 {?}    3.298  0.072  0.140      77.557      4.575  0  0
   1655 {12.H}    8.679  0.046  0.047 {12.N}  119.993  0.556  0.567 {12.HB2}    2.857  0.084  0.086    3789.985      5.322  0  0
   1656 {105.H}    7.531  0.046  0.047 {105.N}  120.048  0.556  0.567 {108.HB2}    2.832  0.084  0.086     114.907      5.322  0  0
   1657 {105.H}    7.532  0.038  0.052 {105.N}  120.041  0.613  0.925 {108.HB3}    2.493  0.058  0.072     254.266      7.981  0  0
   1658 {?}    7.533  0.044  0.019 {?}  120.014  0.706  0.397 {?}    2.053  0.049  0.076     789.131      3.626  0  0
   1659 {?}    7.532  0.040  0.039 {?}  120.039  0.543  0.520 {?}    1.805  0.081  0.174     698.431      4.996  0  0
   1660 {?}    7.533  0.033  0.042 {?}  120.053  0.515  0.663 {?}    1.480  0.116  0.127    5460.817      7.315  0  0
   1661 {?}    8.316  0.038  0.025 {?}  120.212  0.743  0.553 {?}    1.164  0.147  0.211     564.181      4.101  0  0
   1662 {?}    7.533  0.021  0.006 {?}  120.058  1.115  0.354 {?}    0.821  0.105  0.151    4141.163      3.080  0  0
   1663 {?}    7.532  0.041  0.034 {?}  120.035  0.799  0.621 {?}    0.525  0.147  0.211     751.125      4.157  0  0
   1664 {?}    7.533  0.025  0.021 {?}  120.052  0.553  0.471 {?}    0.242  0.091  0.160    1671.844      4.538  0  0
   1665 {?}    8.680  0.036  0.023 {?}  120.110  0.476  0.305 {?}    0.205  0.117  0.168     228.348      3.834  0  0
   1666 {?}    7.532  0.020  0.013 {?}  120.058  0.886  0.536 {?}   -0.160  0.065  0.095     327.751      3.637  0  0
   1667 {143.H}    8.813  0.041  0.034 {143.N}  119.734  0.770  0.541 {141.H}    9.358  0.105  0.151      52.722      4.134  0  0
   1668 {163.H}    7.674  0.029  0.027 {163.N}  119.730  0.849  0.804 {161.H}    9.254  0.134  0.192     368.411      4.870  0  0
   1669 {143.H}    8.814  0.027  0.014 {143.N}  119.738  0.810  0.312 {142.H}    9.191  0.099  0.040     942.457      3.197  0  0
   1670 {28.H}    8.142  0.026  0.023 {28.N}  119.754  0.484  0.404 {27.H}    8.966  0.105  0.151     669.040      4.479  0  0
   1671 {143.H}    8.814  0.022  0.006 {143.N}  119.738  0.724  0.159 {144.H}    8.954  0.146  0.036    2341.779      2.931  0  0
   1672 {143.H}    8.814  0.033  0.042 {143.N}  119.737  0.488  0.634 {143.H}    8.815  0.093  0.126   10280.765      7.437  0  0
   1673 {12.H 50.H}    8.677  0.036  0.063 {12.N 50.N}  119.771  0.559  0.948 {12.H 50.H}    8.684  0.075  0.103   12226.495     10.664  0  0
   1674 {?}    8.815  0.039  0.056 {?}  119.744  0.433  0.653 {?}    8.560  0.054  0.080     551.711     10.608  0  0
   1675 {?}    8.814  0.042  0.042 {?}  119.745  0.491  0.498 {?}    8.454  0.044  0.045     505.018      5.291  0  0
   1676 {163.H}    7.675  0.032  0.089 {163.N}  119.743  0.590  1.346 {162.H}    8.340  0.079  0.162    2908.758     36.704  0  0
   1677 {28.H 34.H}    8.143  0.029  0.029 {28.N 34.N}  119.708  0.611  0.624 {28.H 34.H}    8.149  0.095  0.097    6579.430      5.329  0  0
   1678 {28.H 34.H}    8.102  0.036  0.039 {28.N 34.N}  119.827  0.651  0.744 {28.H 34.H}    8.111  0.065  0.160    1999.763      5.886  0  0
   1679 {?}    8.814  0.038  0.021 {?}  119.725  0.723  0.375 {?}    8.054  0.047  0.057     571.395      3.488  0  0
   1680 {34.H}    8.142  0.038  0.080 {34.N}  119.826  0.491  1.042 {32.H}    7.935  0.136  0.202     387.733     17.933  0  0
   1681 {163.H}    7.676  0.034  0.043 {163.N}  119.748  0.698  0.947 {164.H}    7.927  0.093  0.115    1537.515      7.494  0  0
   1682 {?}    8.812  0.026  0.012 {?}  119.708  0.883  0.297 {?}    7.782  0.103  0.048      43.782      3.127  0  0
   1683 {163.H}    7.676  0.034  0.053 {163.N}  119.755  0.655  0.991 {163.H}    7.669  0.101  0.150   15961.195      9.808  0  0
   1684 {?}    8.679  0.037  0.065 {?}  119.872  0.493  0.956 {?}    7.649  0.108  0.231     270.309     14.017  0  0
   1685 {34.H}    8.144  0.030  0.009 {34.N}  119.683  0.909  0.121 {31.H}    7.625  0.119  0.015     143.143      2.777  0  0
   1686 {?}    8.814  0.039  0.021 {?}  119.748  0.741  0.199 {?}    7.539  0.057  0.046      15.841      3.005  0  0
   1687 {?}    7.675  0.038  0.083 {?}  119.759  0.509  1.030 {?}    7.448  0.103  0.156    1196.772     15.124  0  0
   1688 {?}    8.812  0.038  0.056 {?}  119.908  0.530  0.724 {?}    7.420  0.147  0.211      68.730      7.829  0  0
   1689 {?}    7.676  0.032  0.050 {?}  119.797  0.631  0.990 {?}    7.324  0.147  0.211     473.073      9.085  0  0
   1690 {?}    8.809  0.036  0.050 {?}  119.758  0.466  0.637 {?}    7.244  0.134  0.192      59.253      8.230  0  0
   1691 {?}    7.676  0.035  0.070 {?}  119.727  0.607  1.198 {?}    7.181  0.135  0.238     558.295     18.500  0  0
   1692 {?}    7.675  0.041  0.093 {?}  119.781  0.514  1.118 {?}    7.048  0.122  0.383     391.485     16.383  0  0
   1693 {?}    8.815  0.028  0.042 {?}  119.814  0.537  0.814 {?}    6.877  0.190  0.271      92.702      9.092  0  0
   1694 {?}    7.675  0.037  0.074 {?}  119.736  0.533  1.125 {?}    6.798  0.109  0.269     392.050     15.964  0  0
   1695 {?}    8.679  0.037  0.075 {?}  119.784  0.520  1.039 {?}    6.704  0.122  0.271     324.462     14.738  0  0
   1696 {?}    8.814  0.038  0.041 {?}  119.723  0.512  0.567 {?}    6.595  0.147  0.211      57.924      5.837  0  0
   1697 {?}    7.677  0.032  0.074 {?}  119.724  0.561  1.201 {?}    6.548  0.119  0.271     606.070     19.821  0  0
   1698 {?}    7.677  0.037  0.075 {?}  119.722  0.545  1.133 {?}    6.261  0.103  0.148     458.963     14.521  0  0
   1699 {?}    8.814  0.033  0.095 {?}  119.742  0.605  1.339 {?}    6.136  0.062  0.184     566.585     31.995  0  0
   1700 {?}    7.675  0.039  0.043 {?}  119.845  0.541  0.624 {?}    6.021  0.076  0.178     196.623      6.162  0  0
   1701 {?}    7.675  0.031  0.099 {?}  119.843  0.613  1.322 {?}    5.834  0.105  0.151     245.900     30.566  0  0
   1702 {?}    8.817  0.030  0.039 {?}  119.770  0.905  1.176 {?}    5.807  0.082  0.106      30.468      7.243  0  0
   1703 {?}    8.144  0.037  0.114 {?}  119.741  0.540  1.368 {?}    5.697  0.127  0.181      15.823     62.879  0  0
   1704 {?}    7.678  0.032  0.125 {?}  119.714  0.600  1.521 {?}    5.672  0.084  0.121     157.481     59.684  0  0
   1705 {?}    8.814  0.042  0.052 {?}  119.735  0.555  0.654 {?}    5.437  0.070  0.178     331.609      6.338  0  0
   1706 {?}    8.677  0.038  0.111 {?}  119.819  0.512  1.285 {?}    5.419  0.056  0.229     241.010     46.371  0  0
   1707 {?}    7.674  0.037  0.048 {?}  119.716  0.526  0.800 {?}    5.409  0.114  0.204     283.225      8.964  0  0
   1708 {?}    8.814  0.037  0.080 {?}  119.721  0.603  1.291 {?}    5.314  0.082  0.151     227.054     22.606  0  0
   1709 {?}    7.682  0.038  0.113 {?}  119.878  0.516  1.261 {?}    5.249  0.072  0.147     138.404     36.190  0  0
   1710 {?}    8.813  0.036  0.071 {?}  119.727  0.536  1.165 {?}    5.176  0.075  0.127     241.694     18.714  0  0
   1711 {?}    8.815  0.023  0.002 {?}  119.780  0.691  0.065 {?}    5.042  0.085  0.010     261.622      2.736  0  0
   1712 {?}    7.533  0.038  0.075 {?}  119.765  0.532  1.166 {?}    4.987  0.063  0.120     102.771     19.049  0  0
   1713 {?}    8.674  0.028  0.050 {?}  119.673  0.573  1.088 {?}    4.927  0.076  0.116     498.168     13.595  0  0
   1714 {?}    8.814  0.029  0.027 {?}  119.729  0.429  0.385 {?}    4.910  0.072  0.066     328.649      4.734  0  0
   1715 {163.H}    7.673  0.025  0.031 {163.N}  119.786  0.564  0.725 {160.HA}    4.876  0.112  0.141     464.183      7.024  0  0
   1716 {?}    8.678  0.034  0.012 {?}  119.805  0.676  0.278 {?}    4.788  0.102  0.054     608.882      3.283  0  0
   1717 {?}    8.814  0.035  0.132 {?}  119.737  0.554  1.980 {?}    4.672  0.069  0.166     445.036     75.153  0  0
   1718 {50.H}    8.678  0.030  0.102 {50.N}  119.876  0.547  1.939 {83.HA}    4.679  0.063  0.239     527.448    160.782  0  0
   1719 {?}    7.677  0.038  0.074 {?}  119.752  0.545  1.079 {?}    4.617  0.093  0.155     780.048     14.706  0  0
   1720 {163.H}    7.677  0.031  0.017 {163.N}  119.754  0.686  0.286 {162.HA}    4.500  0.093  0.045     609.151      3.294  0  0
   1721 {143.H}    8.815  0.038  0.046 {143.N}  119.746  0.603  0.722 {141.HB2}    4.379  0.103  0.147     999.676      6.276  0  0
   1722 {163.H}    7.676  0.034  0.049 {163.N}  119.749  0.510  0.827 {163.HA}    4.192  0.102  0.172    1904.506     10.338  0  0
   1723 {143.H}    8.815  0.041  0.133 {143.N}  119.733  0.887  2.162 {143.HA}    4.169  0.066  0.094    1099.003     90.181  0  0
   1724 {12.H 50.H}    8.677  0.031  0.054 {12.N 50.N}  119.829  0.555  1.096 {8.HA 82.HB2}    3.970  0.079  0.140     726.946     15.323  0  0
   1725 {163.H}    7.676  0.024  0.020 {163.N}  119.735  0.629  0.527 {164.HA}    3.887  0.077  0.067     199.679      4.489  0  0
   1726 {12.H}    8.678  0.038  0.036 {12.N}  119.919  0.592  0.549 {11.HB2}    3.768  0.094  0.089    1231.496      4.860  0  0
   1727 {?}    8.678  0.026  0.018 {?}  119.883  0.768  0.508 {?}    3.441  0.127  0.094    3182.119      3.870  0  0
   1728 {163.H}    7.672  0.046  0.038 {163.N}  119.831  0.581  0.429 {161.HB2}    3.324  0.084  0.057      44.510      4.132  0  0
   1729 {28.H}    8.141  0.027  0.026 {28.N}  119.775  0.498  0.477 {27.HB2}    3.255  0.095  0.092    1218.626      5.001  0  0
   1730 {?}    8.677  0.030  0.024 {?}  119.666  0.450  0.314 {?}    3.163  0.086  0.059    1949.617      4.002  0  0
   1731 {28.H}    8.141  0.018  0.002 {28.N}  119.768  0.811  0.084 {27.HB3}    3.078  0.040  0.013     450.225      2.734  0  0
   1732 {163.H}    7.674  0.021  0.007 {163.N}  119.748  0.886  0.404 {160.HB2}    2.973  0.053  0.051     432.587      3.160  0  0
   1733 {?}    8.814  0.033  0.019 {?}  119.724  0.544  0.285 {?}    2.803  0.041  0.068    1009.027      3.533  0  0
   1734 {143.H}    8.815  0.028  0.034 {143.N}  119.735  0.758  0.984 {142.HB3}    2.560  0.125  0.175     921.722      6.762  0  0
   1735 {163.H}    7.676  0.028  0.021 {163.N}  119.772  0.562  0.392 {164.HG2}    2.546  0.099  0.076     508.476      4.005  0  0
   1736 {?}    7.675  0.030  0.022 {?}  119.738  0.777  0.460 {?}    2.341  0.135  0.090     733.185      3.673  0  0
   1737 {143.H}    8.815  0.027  0.020 {143.N}  119.746  0.811  0.536 {142.HB2}    2.113  0.097  0.067    3628.586      3.973  0  0
   1738 {?}    7.675  0.040  0.015 {?}  119.759  0.806  0.252 {?}    2.097  0.048  0.035     986.380      3.054  0  0
   1739 {?}    8.677  0.027  0.028 {?}  119.788  0.521  0.546 {?}    1.890  0.105  0.151     885.547      5.473  0  0
   1740 {?}    7.676  0.026  0.017 {?}  119.768  0.881  0.598 {?}    1.867  0.134  0.091    1302.068      3.788  0  0
   1741 {?}    8.142  0.027  0.023 {?}  119.724  0.554  0.476 {?}    1.742  0.099  0.087    3029.150      4.571  0  0
   1742 {?}    8.814  0.031  0.073 {?}  119.689  0.532  1.290 {?}    1.685  0.103  0.186     400.941     46.355  0  0
   1743 {?}    7.676  0.030  0.076 {?}  119.747  0.551  1.359 {?}    1.585  0.087  0.211    8589.381     52.536  0  0
   1744 {143.H 143.H}    8.814  0.036  0.068 {143.N 143.N}  119.735  0.518  1.142 {143.HB1 143.HB3}    1.453  0.105  0.151    5832.951     18.893  0  0
   1745 {163.H 163.H}    7.676  0.035  0.077 {163.N 163.N}  119.745  0.525  1.192 {163.HB1 163.HB2}    1.225  0.147  0.211    6204.500     24.824  0  0
   1746 {?}    8.678  0.032  0.060 {?}  119.880  0.553  1.232 {?}    1.188  0.110  0.228    1324.431     20.091  0  0
   1747 {?}    8.677  0.033  0.037 {?}  119.755  0.524  0.613 {?}    1.040  0.105  0.151     611.508      6.269  0  0
   1748 {143.H 143.H}    8.815  0.031  0.067 {143.N 143.N}  119.771  0.535  1.235 {145.HD21 145.HD23}    0.952  0.147  0.280     103.332     29.594  0  0
   1749 {28.H}    8.143  0.037  0.094 {28.N}  119.729  0.495  1.147 {26.HG13}    0.908  0.143  0.244    1846.640     27.011  0  0
   1750 {143.H}    8.813  0.031  0.056 {143.N}  119.803  0.562  1.202 {140.HG13}    0.778  0.102  0.146      41.422     18.056  0  0
   1751 {130.H}    9.673  0.038  0.087 {130.N}  119.445  0.535  1.252 {130.H}    9.683  0.060  0.160    3644.011     29.593  0  0
   1752 {50.H}    8.674  0.032  0.079 {50.N}  119.447  0.547  1.511 {84.H}    9.473  0.102  0.271    1337.953     71.425  0  0
   1753 {130.H}    9.674  0.036  0.119 {130.N}  119.464  0.551  1.393 {129.H}    9.195  0.159  0.227     193.732     63.490  0  0
   1754 {50.H}    8.675  0.032  0.059 {50.N}  119.400  0.529  1.005 {51.H}    9.122  0.071  0.107     194.602     12.852  0  0
   1755 {50.H}    8.677  0.028  0.033 {50.N}  119.384  0.673  0.790 {57.H}    8.984  0.065  0.074     100.065      6.434  0  0
   1756 {34.H}    8.152  0.017  0.016 {34.N}  119.463  0.504  0.461 {33.H}    7.826  0.066  0.063     502.394      4.810  0  0
   1757 {?}    9.672  0.027  0.026 {?}  119.506  0.702  0.672 {?}    7.540  0.085  0.082     215.539      4.962  0  0
   1758 {34.H}    8.153  0.043  0.236 {34.N}  119.467  0.602  2.103 {36.H}    7.466  0.085  0.153     363.010    164.556  0  0
   1759 {?}    9.674  0.043  0.236 {?}  119.427  0.602  2.103 {?}    7.426  0.085  0.153     138.453    164.556  0  0
   1760 {34.H}    8.149  0.038  0.081 {34.N}  119.553  0.652  1.151 {35.H}    7.332  0.105  0.151    1058.870     15.388  0  0
   1761 {?}    8.672  0.038  0.058 {?}  119.570  0.610  1.037 {?}    7.125  0.147  0.211     264.397     10.735  0  0
   1762 {130.H}    9.672  0.028  0.022 {130.N}  119.430  0.638  0.436 {129.HD1}    7.064  0.065  0.102    1202.522      3.960  0  0
   1763 {?}    9.672  0.042  0.079 {?}  119.475  0.541  1.044 {?}    6.922  0.049  0.177    1156.935     13.367  0  0
   1764 {?}    9.673  0.047  0.078 {?}  119.435  0.533  1.017 {?}    6.550  0.045  0.157     237.322     13.790  0  0
   1765 {130.H}    9.672  0.035  0.040 {130.N}  119.501  0.866  0.927 {102.H}    5.907  0.025  0.061     124.357      5.717  0  0
   1766 {?}    9.672  0.035  0.031 {?}  119.448  0.646  0.532 {?}    5.306  0.106  0.093     393.240      4.432  0  0
   1767 {?}    9.674  0.036  0.063 {?}  119.505  0.701  1.182 {?}    5.072  0.129  0.224     172.426     11.775  0  0
   1768 {50.H}    8.675  0.037  0.052 {50.N}  119.439  0.661  1.019 {81.HA}    4.411  0.180  0.222     247.235      9.346  0  0
   1769 {?}    8.149  0.018  0.012 {?}  119.597  0.838  0.585 {?}    4.358  0.062  0.093     674.362      4.019  0  0
   1770 {?}    9.672  0.035  0.052 {?}  119.442  0.742  1.116 {?}    4.244  0.101  0.155     151.729      9.526  0  0
   1771 {?}    9.672  0.028  0.017 {?}  119.425  0.855  0.500 {?}    4.123  0.109  0.058     532.491      3.431  0  0
   1772 {34.H}    8.150  0.031  0.011 {34.N}  119.548  0.976  0.463 {34.HA}    4.119  0.131  0.055    1070.930      3.243  0  0
   1773 {?}    9.672  0.036  0.061 {?}  119.443  0.539  1.054 {?}    3.551  0.070  0.112     999.024     13.465  0  0
   1774 {?}    9.673  0.024  0.006 {?}  119.388  0.943  0.219 {?}    3.333  0.088  0.069     602.859      2.906  0  0
   1775 {130.H}    9.672  0.033  0.066 {130.N}  119.443  0.642  1.195 {129.HB2}    3.130  0.071  0.137     771.374     17.971  0  0
   1776 {?}    9.673  0.028  0.006 {?}  119.429  1.171  0.430 {?}    2.740  0.061  0.039     741.240      2.971  0  0
   1777 {?}    8.671  0.033  0.084 {?}  119.330  0.700  1.231 {?}    2.613  0.074  0.127     104.911     28.904  0  0
   1778 {34.H}    8.150  0.021  0.006 {34.N}  119.525  0.864  0.223 {34.HG2}    2.345  0.105  0.151    1667.627      2.948  0  0
   1779 {34.H}    8.148  0.045  0.082 {34.N}  119.601  0.571  1.132 {34.HG3}    2.218  0.058  0.158    3162.440     16.713  0  0
   1780 {?}    8.672  0.031  0.017 {?}  119.429  0.709  0.264 {?}    2.191  0.153  0.067     202.431      3.199  0  0
   1781 {34.H}    8.151  0.043  0.047 {34.N}  119.464  0.894  1.000 {34.HB2}    2.045  0.061  0.135    3162.140      6.091  0  0
   1782 {130.H}    9.671  0.045  0.067 {130.N}  119.459  0.545  0.887 {129.HB3}    1.971  0.190  0.271    1261.063     10.158  0  0
   1783 {50.H}    8.673  0.045  0.069 {50.N}  119.469  0.831  1.192 {49.HB3}    1.650  0.105  0.151    4149.324     10.465  0  0
   1784 {34.H}    8.154  0.045  0.064 {34.N}  119.460  0.548  0.910 {33.HB2}    1.492  0.172  0.246     251.614      9.316  0  0
   1785 {?}    9.673  0.037  0.072 {?}  119.435  0.612  1.157 {?}    1.443  0.045  0.127     491.589     13.907  0  0
   1786 {50.H}    8.672  0.035  0.076 {50.N}  119.443  0.613  1.140 {49.HB2}    1.413  0.130  0.172    1546.834     18.341  0  0
   1787 {50.H}    8.673  0.033  0.042 {50.N}  119.439  0.644  0.868 {50.HB3}    1.274  0.066  0.077     974.460      7.237  0  0
   1788 {?}    9.671  0.025  0.007 {?}  119.424  0.910  0.192 {?}    1.129  0.208  0.082     163.477      2.883  0  0
   1789 {?}    9.673  0.040  0.061 {?}  119.481  0.573  0.930 {?}    0.841  0.190  0.271     234.092      8.339  0  0
   1790 {?}    8.672  0.048  0.009 {?}  119.447  0.961  0.179 {?}    0.743  0.091  0.068    1020.709      2.818  0  0
   1791 {?}    8.673  0.040  0.068 {?}  119.446  0.619  1.081 {?}    0.621  0.163  0.211    1066.131     13.091  0  0
   1792 {?}    9.675  0.043  0.037 {?}  119.423  0.656  0.566 {?}    0.567  0.190  0.271      89.995      4.583  0  0
   1793 {?}    8.673  0.037  0.069 {?}  119.446  0.494  1.063 {?}    0.395  0.102  0.165    1763.476     17.617  0  0
   1794 {121.H}    7.207  0.039  0.087 {121.N}  119.032  0.775  1.395 {119.H}    9.581  0.088  0.167     185.706     21.465  0  0
   1795 {23.H}    7.945  0.040  0.082 {23.N}  119.118  0.566  1.118 {137.H}    9.152  0.104  0.281     319.523     15.422  0  0
   1796 {121.H}    7.206  0.037  0.076 {121.N}  119.128  0.724  1.208 {62.H}    8.927  0.111  0.229     341.761     19.559  0  0
   1797 {121.H}    7.205  0.034  0.042 {121.N}  119.096  0.692  0.853 {122.H}    8.592  0.147  0.211    1924.246      6.288  0  0
   1798 {23.H}    7.945  0.043  0.055 {23.N}  119.132  0.715  0.949 {22.H}    8.558  0.065  0.211     244.316      8.217  0  0
   1799 {121.H}    7.205  0.041  0.069 {121.N}  119.093  0.569  1.023 {120.H}    8.362  0.232  0.331    1476.815     12.006  0  0
   1800 {100.H}    8.004  0.054  0.067 {100.N}  119.051  0.703  0.920 {99.H}    8.231  0.105  0.151    1180.725      7.289  0  0
   1801 {121.H}    7.207  0.043  0.060 {121.N}  119.089  0.557  0.977 {118.H}    8.178  0.105  0.151     438.573     11.338  0  0
   1802 {?}    7.205  0.042  0.104 {?}  119.153  0.549  1.271 {?}    8.059  0.196  0.280      41.234     26.050  0  0
   1803 {121.H}    7.205  0.028  0.021 {121.N}  119.085  1.077  0.836 {121.H}    7.216  0.090  0.071    4922.421      4.095  0  0
   1804 {?}    7.205  0.029  0.043 {?}  119.107  0.561  0.833 {?}    7.011  0.086  0.121     489.479      8.838  0  0
   1805 {?}    8.005  0.040  0.138 {?}  119.029  0.633  1.615 {?}    6.906  0.105  0.403     387.255     65.088  0  0
   1806 {?}    7.210  0.040  0.152 {?}  119.194  0.798  2.406 {?}    6.134  0.129  0.211      78.875     39.755  0  0
   1807 {?}    7.390  0.035  0.097 {?}  119.120  0.644  1.339 {?}    6.102  0.156  0.271      22.171     36.711  0  0
   1808 {100.H}    8.004  0.037  0.102 {100.N}  119.038  0.724  1.308 {101.H}    6.064  0.105  0.151     696.443     27.179  0  0
   1809 {?}    7.202  0.044  0.095 {?}  119.155  0.537  1.242 {?}    4.820  0.105  0.151     321.954     29.341  0  0
   1810 {?}    7.208  0.043  0.068 {?}  119.125  0.639  1.062 {?}    4.572  0.127  0.245     536.713     11.868  0  0
   1811 {121.H}    7.205  0.035  0.082 {121.N}  119.106  0.722  1.207 {120.HA}    4.316  0.079  0.159     879.131     19.837  0  0
   1812 {72.H 72.H}    7.389  0.035  0.053 {72.N 72.N}  119.118  0.539  1.078 {70.HA 73.HA}    4.292  0.073  0.106      49.592     12.301  0  0
   1813 {?}    7.205  0.027  0.030 {?}  119.082  0.663  0.767 {?}    3.771  0.050  0.057     180.987      5.970  0  0
   1814 {?}    8.003  0.036  0.093 {?}  119.067  0.678  1.216 {?}    3.742  0.064  0.150     502.574     27.054  0  0
   1815 {23.H}    7.943  0.027  0.025 {23.N}  119.046  0.608  0.517 {23.HB2}    3.175  0.064  0.054    1182.730      4.539  0  0
   1816 {121.H}    7.205  0.045  0.130 {121.N}  119.065  0.652  1.672 {118.HB3}    3.178  0.085  0.185    1143.384     37.705  0  0
   1817 {?}    7.998  0.046  0.047 {?}  119.133  0.658  0.683 {?}    2.753  0.120  0.124     152.575      5.425  0  0
   1818 {?}    7.943  0.043  0.139 {?}  119.026  0.621  1.718 {?}    2.521  0.089  0.233    1485.300     68.262  0  0
   1819 {?}    7.207  0.043  0.139 {?}  119.006  0.621  1.718 {?}    2.487  0.089  0.233     182.365     68.262  0  0
   1820 {?}    8.675  0.049  0.108 {?}  119.241  0.589  1.282 {?}    2.366  0.066  0.131      20.122     21.234  0  0
   1821 {?}    7.205  0.038  0.056 {?}  119.074  0.731  0.987 {?}    2.321  0.107  0.149    1384.304      8.012  0  0
   1822 {100.H}    8.004  0.028  0.052 {100.N}  119.039  0.373  1.317 {46.HB3}    2.161  0.055  0.096    3887.225     15.867  0  0
   1823 {?}    7.205  0.052  0.030 {?}  119.042  0.971  0.350 {?}    2.031  0.105  0.048     795.776      3.082  0  0
   1824 {?}    7.204  0.032  0.024 {?}  119.045  1.008  0.796 {?}    1.855  0.169  0.126    1124.174      4.021  0  0
   1825 {121.H}    7.205  0.031  0.056 {121.N}  119.080  0.504  0.814 {121.HB3}    1.553  0.071  0.103    6654.968      9.823  0  0
   1826 {?}    7.943  0.038  0.051 {?}  119.001  0.566  0.800 {?}    1.257  0.085  0.108   11634.406      7.722  0  0
   1827 {100.H}    8.004  0.045  0.112 {100.N}  119.037  0.564  1.144 {100.HG12}    1.168  0.084  0.176    7312.629     21.334  0  0
   1828 {121.H}    7.205  0.028  0.022 {121.N}  119.072  1.230  1.017 {61.HB2}    1.174  0.196  0.158     327.864      4.253  0  0
   1829 {?}    7.206  0.050  0.059 {?}  119.086  0.638  0.821 {?}    0.882  0.085  0.103    4020.457      6.724  0  0
   1830 {?}    8.004  0.029  0.023 {?}  119.043  0.953  0.711 {?}    0.848  0.136  0.102    2412.923      4.172  0  0
   1831 {110.H}    8.842  0.022  0.006 {110.N}  118.875  0.944  0.284 {112.H}   10.335  0.107  0.028     210.732      2.944  0  0
   1832 {?}    8.840  0.041  0.040 {?}  118.953  0.702  0.683 {?}    9.906  0.076  0.164      40.583      5.082  0  0
   1833 {137.H}    9.148  0.038  0.021 {137.N}  118.920  0.556  0.189 {21.H}    9.310  0.056  0.062      68.955      3.141  0  0
   1834 {136.H}    7.304  0.030  0.022 {136.N}  118.688  0.616  0.440 {137.H}    9.159  0.104  0.151     439.365      4.059  0  0
   1835 {45.H 129.H 137.H}    9.156  0.041  0.035 {45.N 129.N 137.N}  118.847  0.683  0.496 {45.H 129.H 137.H}    9.150  0.057  0.099   12470.589      4.093  0  0
   1836 {?}    7.201  0.042  0.070 {?}  118.962  0.664  0.981 {?}    9.109  0.066  0.093      49.610     10.259  0  0
   1837 {?}    7.938  0.020  0.006 {?}  118.871  0.507  0.168 {?}    9.020  0.111  0.047     305.613      3.125  0  0
   1838 {?}    9.155  0.035  0.040 {?}  118.829  0.524  0.626 {?}    8.923  0.105  0.151    1306.945      6.487  0  0
   1839 {11.H 110.H}    8.846  0.043  0.084 {11.N 110.N}  118.703  0.583  1.117 {11.H 110.H}    8.846  0.106  0.193   15706.407     15.126  0  0
   1840 {?}    9.160  0.038  0.125 {?}  118.869  0.622  1.359 {?}    8.787  0.094  0.140     402.295     40.806  0  0
   1841 {?}    7.937  0.045  0.086 {?}  118.845  0.630  1.119 {?}    8.702  0.140  0.186    2577.826     13.300  0  0
   1842 {?}    9.154  0.034  0.039 {?}  118.836  0.825  0.926 {?}    8.637  0.097  0.108    1494.477      6.081  0  0
   1843 {?}    8.851  0.051  0.070 {?}  118.791  0.753  0.945 {?}    8.508  0.112  0.148      15.286      7.325  0  0
   1844 {?}    9.154  0.040  0.086 {?}  118.842  0.636  1.315 {?}    8.347  0.189  0.265     540.816     26.574  0  0
   1845 {?}    9.154  0.047  0.104 {?}  118.834  0.732  1.189 {?}    8.231  0.164  0.237     848.066     13.724  0  0
   1846 {110.H}    8.842  0.041  0.095 {110.N}  118.822  0.752  1.334 {109.H}    8.242  0.105  0.151    1176.692     23.994  0  0
   1847 {72.H 72.H}    7.388  0.038  0.087 {72.N 72.N}  118.900  0.639  1.270 {70.H 73.H}    8.228  0.102  0.146     564.504     21.499  0  0
   1848 {5.H 100.H}    8.000  0.046  0.132 {5.N 100.N}  118.973  0.778  1.383 {5.H 100.H}    8.003  0.089  0.182    7635.392     18.467  0  0
   1849 {137.H}    9.156  0.042  0.104 {137.N}  118.867  0.700  1.363 {23.H}    7.942  0.110  0.313     700.220     27.842  0  0
   1850 {23.H}    7.938  0.035  0.062 {23.N}  118.867  0.500  0.973 {23.H}    7.936  0.071  0.110   41378.527     14.792  0  0
   1851 {?}    7.306  0.030  0.039 {?}  118.752  0.580  0.674 {?}    7.944  0.077  0.088     526.543      6.220  0  0
   1852 {110.H}    8.846  0.030  0.039 {110.N}  118.766  0.580  0.674 {111.H}    7.898  0.077  0.088    2815.384      6.220  0  0
   1853 {136.H}    7.304  0.036  0.026 {136.N}  118.699  0.952  0.645 {134.H}    7.788  0.074  0.041     554.860      3.556  0  0
   1854 {136.H}    7.355  0.027  0.035 {136.N}  118.838  0.758  0.858 {134.H}    7.744  0.075  0.090      39.705      6.186  0  0
   1855 {?}    7.938  0.037  0.101 {?}  118.857  0.740  1.587 {?}    7.702  0.096  0.395    4037.738     44.077  0  0
   1856 {?}    8.849  0.039  0.039 {?}  118.772  0.774  0.770 {?}    7.609  0.079  0.078     397.853      5.186  0  0
   1857 {5.H}    8.001  0.029  0.023 {5.N}  118.981  0.597  0.474 {4.HE}    7.608  0.085  0.063     225.343      4.323  0  0
   1858 {?}    7.939  0.040  0.072 {?}  118.888  0.770  1.197 {?}    7.577  0.090  0.166    3103.380     14.341  0  0
   1859 {38.H 136.H}    7.305  0.033  0.020 {38.N 136.N}  118.715  0.873  0.430 {39.H 135.H}    7.573  0.165  0.235    5249.350      3.363  0  0
   1860 {?}    9.154  0.043  0.034 {?}  118.828  0.885  0.686 {?}    7.522  0.064  0.124    1430.598      4.198  0  0
   1861 {5.H}    7.992  0.033  0.023 {5.N}  118.812  0.866  0.687 {6.H}    7.439  0.147  0.211    1900.560      4.215  0  0
   1862 {5.H}    7.938  0.034  0.019 {5.N}  118.889  1.038  0.619 {6.H}    7.448  0.147  0.211    2554.899      3.613  0  0
   1863 {72.H}    7.385  0.033  0.035 {72.N}  118.863  0.656  0.719 {72.H}    7.393  0.105  0.151    9111.100      5.676  0  0
   1864 {38.H 72.H}    7.354  0.034  0.069 {38.N 72.N}  118.828  0.663  1.174 {38.H 72.H}    7.367  0.099  0.133   15910.300     17.645  0  0
   1865 {?}    7.206  0.018  0.021 {?}  118.958  0.491  0.126 {?}    7.355  0.159  0.043    2851.464      2.991  0  0
   1866 {?}    9.157  0.054  0.015 {?}  118.849  0.734  0.151 {?}    7.313  0.054  0.011    1696.300      2.904  0  0
   1867 {?}    7.940  0.036  0.055 {?}  118.927  0.774  1.100 {?}    7.315  0.116  0.196    2658.693     10.253  0  0
   1868 {38.H 136.H}    7.305  0.035  0.088 {38.N 136.N}  118.720  0.680  1.282 {38.H 136.H}    7.316  0.062  0.184   10550.400     24.919  0  0
   1869 {?}    7.938  0.036  0.086 {?}  118.858  0.704  1.287 {?}    7.196  0.105  0.151    1659.416     24.242  0  0
   1870 {?}    7.990  0.035  0.060 {?}  118.879  0.753  1.166 {?}    7.085  0.099  0.141     375.653     12.799  0  0
   1871 {?}    7.937  0.036  0.072 {?}  118.880  0.781  1.330 {?}    7.080  0.105  0.151     791.987     17.764  0  0
   1872 {72.H}    7.388  0.042  0.092 {72.N}  118.885  0.751  1.296 {71.H}    7.081  0.105  0.151    5737.742     20.692  0  0
   1873 {?}    7.305  0.034  0.092 {?}  118.735  0.729  1.322 {?}    7.078  0.102  0.175     891.508     26.876  0  0
   1874 {129.H}    9.154  0.034  0.092 {129.N}  118.815  0.729  1.322 {129.HD1}    7.058  0.102  0.175     876.170     26.876  0  0
   1875 {?}    7.937  0.034  0.092 {?}  118.862  0.729  1.322 {?}    6.937  0.102  0.175     735.041     26.876  0  0
   1876 {?}    7.936  0.041  0.053 {?}  118.852  0.734  0.927 {?}    6.816  0.069  0.085     643.393      7.427  0  0
   1877 {?}    7.349  0.035  0.063 {?}  118.728  0.725  1.141 {?}    6.824  0.071  0.106     287.855     14.311  0  0
   1878 {23.H}    7.993  0.035  0.163 {23.N}  118.905  0.706  1.805 {23.HD2}    6.729  0.081  0.115      67.563    102.139  0  0
   1879 {?}    7.895  0.038  0.151 {?}  118.713  0.733  1.843 {?}    6.638  0.094  0.134     154.921     65.287  0  0
   1880 {?}    9.156  0.030  0.020 {?}  118.857  0.807  0.448 {?}    6.611  0.134  0.192    1470.774      3.445  0  0
   1881 {?}    7.941  0.039  0.054 {?}  118.921  0.666  0.905 {?}    6.631  0.090  0.119    2736.039      7.508  0  0
   1882 {?}    7.305  0.024  0.030 {?}  118.713  0.663  0.804 {?}    6.598  0.060  0.078     508.554      6.793  0  0
   1883 {100.H}    8.000  0.039  0.051 {100.N}  118.988  0.766  0.932 {46.HD22}    6.555  0.104  0.148     146.645      6.670  0  0
   1884 {?}    7.385  0.030  0.038 {?}  118.831  0.726  0.869 {?}    6.567  0.041  0.111     268.299      6.755  0  0
   1885 {72.H}    7.353  0.038  0.093 {72.N}  118.768  0.682  1.176 {74.HD2}    6.567  0.082  0.205     195.825     20.405  0  0
   1886 {?}    7.349  0.038  0.093 {?}  118.849  0.682  1.176 {?}    6.435  0.082  0.205     163.982     20.405  0  0
   1887 {?}    9.156  0.041  0.056 {?}  118.896  0.691  0.976 {?}    6.358  0.137  0.198     184.328      7.805  0  0
   1888 {?}    7.392  0.039  0.020 {?}  118.875  0.773  0.249 {?}    6.290  0.078  0.026     205.454      3.071  0  0
   1889 {?}    7.303  0.032  0.034 {?}  118.793  0.688  0.754 {?}    6.301  0.066  0.072     158.742      5.719  0  0
   1890 {?}    9.156  0.040  0.104 {?}  118.801  0.685  1.215 {?}    6.166  0.085  0.153     224.598     30.574  0  0
   1891 {100.H}    7.937  0.038  0.063 {100.N}  118.884  0.686  1.040 {101.H}    6.048  0.064  0.094    1654.414     11.331  0  0
   1892 {?}    8.849  0.036  0.043 {?}  118.734  0.696  0.841 {?}    5.927  0.068  0.078     736.419      6.473  0  0
   1893 {?}    7.395  0.030  0.016 {?}  118.851  0.930  0.574 {?}    5.817  0.076  0.093      57.446      3.423  0  0
   1894 {?}    7.995  0.028  0.031 {?}  118.944  0.695  0.783 {?}    5.783  0.041  0.098      58.419      6.056  0  0
   1895 {?}    7.308  0.033  0.019 {?}  118.710  0.828  0.595 {?}    5.785  0.232  0.126     100.227      3.675  0  0
   1896 {?}    7.937  0.043  0.034 {?}  118.870  0.795  0.615 {?}    5.747  0.105  0.151    2208.968      4.334  0  0
   1897 {?}    7.382  0.032  0.018 {?}  118.781  0.855  0.278 {?}    5.699  0.211  0.301     105.174      3.064  0  0
   1898 {?}    7.357  0.029  0.023 {?}  118.801  0.942  0.765 {?}    5.517  0.140  0.225     148.341      4.089  0  0
   1899 {?}    8.000  0.039  0.017 {?}  118.958  0.843  0.301 {?}    5.494  0.172  0.246      31.515      3.083  0  0
   1900 {?}    9.157  0.029  0.016 {?}  118.774  0.844  0.359 {?}    5.359  0.047  0.049     358.458      3.238  0  0
   1901 {?}    7.938  0.032  0.024 {?}  118.862  0.882  0.634 {?}    5.369  0.224  0.149    2324.726      3.850  0  0
   1902 {?}    7.307  0.030  0.017 {?}  118.716  0.979  0.625 {?}    5.283  0.147  0.211     244.896      3.594  0  0
   1903 {?}    7.354  0.034  0.029 {?}  118.862  0.900  0.714 {?}    5.256  0.147  0.211     487.091      4.012  0  0
   1904 {?}    7.940  0.039  0.099 {?}  118.864  0.678  1.219 {?}    5.209  0.104  0.164    1142.190     27.378  0  0
   1905 {?}    7.391  0.030  0.026 {?}  118.719  0.701  0.614 {?}    5.169  0.145  0.126     461.166      4.644  0  0
   1906 {?}    7.349  0.037  0.006 {?}  118.742  0.774  0.169 {?}    5.150  0.073  0.039     117.913      2.920  0  0
   1907 {?}    9.155  0.037  0.022 {?}  118.826  0.812  0.534 {?}    5.029  0.116  0.133     904.189      3.658  0  0
   1908 {?}    7.387  0.038  0.038 {?}  118.899  0.720  0.721 {?}    5.047  0.141  0.141     121.841      5.220  0  0
   1909 {?}    8.849  0.037  0.098 {?}  118.749  0.716  1.238 {?}    5.016  0.092  0.183     450.768     25.097  0  0
   1910 {23.H}    7.938  0.049  0.052 {23.N}  118.853  0.787  0.818 {22.HA}    5.014  0.143  0.205     840.804      5.522  0  0
   1911 {?}    7.356  0.039  0.044 {?}  118.825  0.746  0.873 {?}    4.954  0.141  0.201      57.121      6.407  0  0
   1912 {?}    7.386  0.043  0.056 {?}  118.839  0.753  0.990 {?}    4.928  0.079  0.228      12.808      7.666  0  0
   1913 {45.H}    9.156  0.038  0.085 {45.N}  118.836  0.711  1.197 {45.HA}    4.901  0.156  0.202     866.121     20.700  0  0
   1914 {?}    9.156  0.039  0.089 {?}  118.823  0.678  1.171 {?}    4.770  0.103  0.211     853.603     21.575  0  0
   1915 {129.H}    9.155  0.037  0.101 {129.N}  118.872  0.709  1.230 {129.HA}    4.647  0.147  0.211    1063.370     27.099  0  0
   1916 {?}    7.998  0.037  0.100 {?}  118.852  0.706  1.215 {?}    4.651  0.100  0.211     251.574     24.792  0  0
   1917 {?}    7.392  0.041  0.105 {?}  118.809  0.728  1.274 {?}    4.651  0.147  0.211     292.909     22.260  0  0
   1918 {?}    7.359  0.038  0.084 {?}  118.833  0.748  1.215 {?}    4.645  0.198  0.331     875.621     17.694  0  0
   1919 {?}    7.305  0.037  0.098 {?}  118.716  0.692  1.166 {?}    4.642  0.103  0.196     567.307     20.683  0  0
   1920 {100.H}    7.938  0.036  0.078 {100.N}  118.868  0.684  1.145 {99.HA}    4.622  0.063  0.115    3271.251     16.219  0  0
   1921 {11.H}    8.845  0.036  0.081 {11.N}  118.746  0.722  1.214 {11.HA}    4.534  0.096  0.222    1428.235     20.012  0  0
   1922 {111.H}    7.937  0.036  0.088 {111.N}  118.814  0.734  1.246 {110.HA}    4.439  0.098  0.140     965.827     24.203  0  0
   1923 {38.H}    7.355  0.036  0.127 {38.N}  118.823  0.694  1.233 {38.HA}    4.417  0.105  0.151     721.978     31.332  0  0
   1924 {137.H}    9.156  0.038  0.146 {137.N}  118.836  0.721  1.703 {137.HB}    4.223  0.135  0.193    2402.115     70.246  0  0
   1925 {?}    7.997  0.037  0.139 {?}  118.909  0.723  1.468 {?}    4.157  0.097  0.139     335.761     40.859  0  0
   1926 {38.H}    7.354  0.032  0.048 {38.N}  118.806  0.719  1.023 {37.HA}    4.122  0.090  0.133     603.505      9.929  0  0
   1927 {45.H}    9.153  0.032  0.048 {45.N}  118.810  0.719  1.023 {44.HB}    4.080  0.090  0.133     695.605      9.929  0  0
   1928 {5.H}    7.991  0.027  0.046 {5.N}  118.764  0.766  1.577 {5.HA}    4.026  0.073  0.115     898.345     15.935  0  0
   1929 {?}    7.938  0.029  0.027 {?}  118.857  0.595  0.556 {?}    3.886  0.108  0.102    2490.107      4.894  0  0
   1930 {?}    7.388  0.029  0.030 {?}  118.894  0.502  0.526 {?}    3.863  0.067  0.152    1648.380      5.473  0  0
   1931 {?}    7.310  0.022  0.014 {?}  118.834  0.721  0.405 {?}    3.833  0.085  0.060     197.757      3.630  0  0
   1932 {?}    7.937  0.041  0.101 {?}  118.861  0.523  1.219 {?}    3.725  0.073  0.149    2087.468     20.091  0  0
   1933 {?}    7.304  0.041  0.066 {?}  118.770  0.534  0.969 {?}    3.720  0.080  0.122     364.465     11.633  0  0
   1934 {?}    7.352  0.025  0.009 {?}  118.793  0.508  0.135 {?}    3.606  0.064  0.018     387.874      3.008  0  0
   1935 {?}    7.307  0.035  0.014 {?}  118.706  0.586  0.160 {?}    3.556  0.064  0.017     622.497      3.019  0  0
   1936 {?}    9.156  0.021  0.016 {?}  118.795  1.033  0.815 {?}    3.415  0.078  0.064     283.915      4.165  0  0
   1937 {5.H}    8.002  0.040  0.077 {5.N}  118.971  0.532  0.947 {4.HA}    3.357  0.088  0.149    1236.739     11.868  0  0
   1938 {136.H}    7.353  0.036  0.060 {136.N}  118.751  0.489  0.739 {134.HA}    3.347  0.063  0.090     373.510     10.193  0  0
   1939 {136.H}    7.305  0.035  0.032 {136.N}  118.716  0.615  0.518 {134.HA}    3.340  0.147  0.211    2084.510      4.502  0  0
   1940 {?}    9.153  0.035  0.078 {?}  118.857  0.479  1.035 {?}    3.228  0.072  0.123     570.218     19.874  0  0
   1941 {?}    7.306  0.036  0.040 {?}  118.693  0.568  0.628 {?}    3.178  0.050  0.120     406.523      5.826  0  0
   1942 {5.H}    7.989  0.034  0.053 {5.N}  118.759  0.639  1.065 {4.HD2}    3.088  0.063  0.090     377.908     10.117  0  0
   1943 {23.H}    7.942  0.040  0.106 {23.N}  118.963  0.532  1.239 {23.HB3}    2.986  0.068  0.113     699.789     25.723  0  0
   1944 {110.H}    8.847  0.038  0.074 {110.N}  118.750  0.563  1.148 {108.HB2}    2.842  0.081  0.176     236.110     17.120  0  0
   1945 {?}    7.305  0.039  0.066 {?}  118.730  0.511  0.963 {?}    2.782  0.055  0.109     355.627     13.428  0  0
   1946 {?}    9.155  0.029  0.023 {?}  118.867  0.710  0.439 {?}    2.711  0.075  0.115     345.196      3.776  0  0
   1947 {?}    7.943  0.040  0.048 {?}  118.989  0.513  0.618 {?}    2.692  0.108  0.131    1712.300      6.554  0  0
   1948 {?}    7.998  0.042  0.032 {?}  118.969  0.575  0.360 {?}    2.575  0.142  0.098     536.996      3.794  0  0
   1949 {?}    9.157  0.030  0.032 {?}  118.854  0.711  0.757 {?}    2.523  0.114  0.120     333.871      5.649  0  0
   1950 {?}    8.000  0.040  0.103 {?}  118.945  0.483  1.050 {?}    2.463  0.070  0.141     263.835     23.506  0  0
   1951 {38.H}    7.305  0.033  0.006 {38.N}  118.702  0.849  0.109 {39.HG3}    2.470  0.086  0.014     701.713      2.781  0  0
   1952 {?}    7.352  0.043  0.050 {?}  118.808  0.630  0.768 {?}    2.442  0.067  0.081    1780.120      6.272  0  0
   1953 {?}    8.841  0.035  0.032 {?}  118.793  0.659  0.549 {?}    2.421  0.083  0.072     169.874      4.473  0  0
   1954 {?}    7.352  0.027  0.146 {?}  118.766  0.631  1.718 {?}    2.281  0.085  0.166     894.802     91.244  0  0
   1955 {110.H}    8.843  0.033  0.045 {110.N}  118.814  0.650  0.942 {110.HG2}    2.251  0.097  0.139    7064.785      8.104  0  0
   1956 {?}    7.938  0.025  0.048 {?}  118.866  0.652  1.128 {?}    2.177  0.105  0.151    7440.966     16.074  0  0
   1957 {136.H}    7.306  0.037  0.056 {136.N}  118.734  0.653  1.000 {135.HB3}    2.153  0.105  0.151    2498.030     10.115  0  0
   1958 {?}    9.156  0.024  0.033 {?}  118.855  0.634  0.915 {?}    2.109  0.105  0.151    3190.485      8.451  0  0
   1959 {?}    7.387  0.036  0.028 {?}  118.856  0.721  0.491 {?}    2.025  0.109  0.079    5254.880      3.959  0  0
   1960 {5.H}    7.937  0.028  0.089 {5.N}  118.849  0.626  1.298 {4.HB3}    1.990  0.128  0.207    1763.820     29.013  0  0
   1961 {?}    7.306  0.023  0.023 {?}  118.726  0.861  0.836 {?}    1.995  0.042  0.090    1039.320      5.072  0  0
   1962 {5.H}    7.995  0.035  0.116 {5.N}  118.858  0.745  1.294 {4.HB3}    1.947  0.082  0.194    1402.215     52.228  0  0
   1963 {110.H}    8.844  0.022  0.013 {110.N}  118.792  0.780  0.441 {110.HB2}    1.904  0.189  0.126    3349.686      3.587  0  0
   1964 {?}    9.156  0.036  0.110 {?}  118.833  0.580  1.751 {?}    1.871  0.077  0.130    1808.901     41.884  0  0
   1965 {?}    7.937  0.031  0.124 {?}  118.834  0.751  2.296 {?}    1.829  0.090  0.163    3061.891     64.320  0  0
   1966 {?}    7.306  0.037  0.038 {?}  118.693  0.979  1.039 {?}    1.740  0.096  0.137    2906.970      5.567  0  0
   1967 {45.H 45.H}    9.155  0.030  0.067 {45.N 45.N}  118.839  0.760  1.767 {45.HB2 45.HD2}    1.733  0.062  0.116    3604.917     28.158  0  0
   1968 {?}    7.989  0.027  0.016 {?}  118.731  0.892  0.372 {?}    1.659  0.052  0.065     869.191      3.227  0  0
   1969 {111.H}    7.936  0.035  0.042 {111.N}  118.794  0.542  0.697 {111.HD2}    1.625  0.105  0.151     822.954      7.222  0  0
   1970 {?}    7.388  0.034  0.057 {?}  118.866  0.656  1.089 {?}    1.584  0.087  0.138   18023.600     11.827  0  0
   1971 {?}    7.115  0.031  0.024 {?}  118.879  0.832  0.591 {?}    1.559  0.058  0.097     355.887      4.057  0  0
   1972 {38.H}    7.353  0.036  0.053 {38.N}  118.815  0.523  0.868 {38.HB3}    1.479  0.147  0.211   18603.699     10.394  0  0
   1973 {5.H}    7.990  0.028  0.028 {5.N}  118.738  0.596  0.602 {5.HB3}    1.344  0.086  0.191    7355.993      5.266  0  0
   1974 {136.H}    7.306  0.035  0.048 {136.N}  118.721  0.778  1.025 {136.HB2}    1.258  0.081  0.109    3725.850      8.280  0  0
   1975 {?}    9.156  0.032  0.059 {?}  118.865  0.512  1.178 {?}    1.228  0.126  0.271    8435.699     19.806  0  0
   1976 {?}    8.844  0.032  0.017 {?}  118.796  0.964  0.689 {?}    1.234  0.147  0.211    1001.791      3.542  0  0
   1977 {?}    7.937  0.035  0.072 {?}  118.852  0.645  1.204 {?}    0.965  0.093  0.171    9761.213     17.366  0  0
   1978 {?}    9.155  0.030  0.026 {?}  118.821  0.552  0.476 {?}    0.883  0.217  0.387    3293.545      4.582  0  0
   1979 {?}    7.388  0.031  0.099 {?}  118.854  0.497  1.252 {?}    0.867  0.096  0.188    4322.730     33.167  0  0
   1980 {11.H}    8.844  0.036  0.034 {11.N}  118.710  0.484  0.449 {7.HB3}    0.821  0.113  0.106     109.573      4.863  0  0
   1981 {?}    7.937  0.022  0.007 {?}  118.848  0.950  0.322 {?}    0.791  0.055  0.063    5758.312      3.079  0  0
   1982 {?}    7.388  0.039  0.020 {?}  118.859  1.058  0.391 {?}    0.689  0.203  0.053    6237.510      3.048  0  0
   1983 {45.H}    9.155  0.028  0.006 {45.N}  118.828  0.622  0.129 {44.HG22}    0.573  0.073  0.062    1784.307      2.909  0  0
   1984 {?}    8.002  0.037  0.024 {?}  118.999  0.619  0.372 {?}    0.497  0.147  0.211     549.016      3.725  0  0
   1985 {111.H}    7.898  0.028  0.029 {111.N}  118.556  0.666  0.696 {112.H}   10.330  0.138  0.145    1349.169      5.445  0  0
   1986 {?}    7.898  0.029  0.016 {?}  118.556  1.034  0.338 {?}    9.896  0.172  0.246     569.607      3.137  0  0
   1987 {129.H}    9.193  0.026  0.016 {129.N}  118.431  0.545  0.284 {130.H}    9.688  0.191  0.138      83.815      3.526  0  0
   1988 {31.H}    7.624  0.033  0.020 {31.N}  118.398  0.925  0.540 {30.H}    9.648  0.100  0.130     525.286      3.386  0  0
   1989 {129.H}    9.192  0.040  0.011 {129.N}  118.438  0.952  0.365 {138.H}    9.531  0.063  0.058     593.118      3.049  0  0
   1990 {?}    7.690  0.030  0.020 {?}  118.535  1.202  0.817 {?}    9.480  0.190  0.271      75.734      3.606  0  0
   1991 {141.H}    9.335  0.032  0.016 {141.N}  118.384  0.901  0.294 {141.H}    9.336  0.142  0.108    4660.851      3.021  0  0
   1992 {129.H}    9.191  0.044  0.018 {129.N}  118.486  1.015  0.757 {129.H}    9.184  0.105  0.151   13771.078      3.846  0  0
   1993 {52.H}    7.689  0.037  0.028 {52.N}  118.498  0.588  0.404 {51.H}    9.118  0.067  0.112     130.738      3.973  0  0
   1994 {141.H}    9.335  0.025  0.013 {141.N}  118.407  0.989  0.367 {144.H}    8.979  0.074  0.057    1615.718      3.141  0  0
   1995 {111.H}    7.898  0.023  0.017 {111.N}  118.568  1.036  0.839 {110.H}    8.845  0.134  0.192    1593.797      4.072  0  0
   1996 {?}    9.196  0.037  0.030 {?}  118.432  0.976  0.857 {?}    8.802  0.134  0.192     150.693      4.447  0  0
   1997 {11.H}    8.849  0.025  0.009 {11.N}  118.618  1.002  0.326 {12.H}    8.698  0.062  0.041    2476.482      3.053  0  0
   1998 {52.H}    7.688  0.034  0.027 {52.N}  118.507  0.928  0.810 {80.H}    8.661  0.232  0.331     351.413      4.450  0  0
   1999 {?}    9.331  0.044  0.036 {?}  118.390  0.635  0.525 {?}    8.396  0.105  0.151      72.721      4.447  0  0
   2000 {?}    8.236  0.034  0.015 {?}  118.456  0.550  0.141 {?}    8.240  0.105  0.151     244.687      2.992  0  0
   2001 {111.H}    7.899  0.034  0.032 {111.N}  118.578  0.755  0.731 {109.H}    8.237  0.035  0.076     178.168      5.040  0  0
   2002 {52.H}    7.688  0.040  0.038 {52.N}  118.517  0.999  0.943 {53.H}    8.226  0.105  0.151    1189.345      4.829  0  0
   2003 {11.H}    8.848  0.033  0.030 {11.N}  118.589  0.788  0.707 {10.H}    8.021  0.147  0.211    2478.867      4.662  0  0
   2004 {31.H}    7.624  0.038  0.039 {31.N}  118.463  0.677  0.709 {32.H}    7.956  0.147  0.211     751.334      5.521  0  0
   2005 {31.H}    7.626  0.038  0.042 {31.N}  118.403  1.026  1.130 {33.H}    7.832  0.105  0.151      10.975      5.997  0  0
   2006 {31.H 135.H}    7.568  0.037  0.049 {31.N 135.N}  118.589  1.035  1.460 {33.H 134.H}    7.790  0.134  0.192     505.031      8.575  0  0
   2007 {141.H}    9.338  0.032  0.023 {141.N}  118.396  0.494  0.321 {18.H}    7.748  0.059  0.102     101.738      3.861  0  0
   2008 {52.H}    7.689  0.036  0.024 {52.N}  118.486  0.806  0.640 {52.H}    7.686  0.134  0.192   11544.311      4.208  0  0
   2009 {31.H}    7.625  0.028  0.021 {31.N}  118.397  0.678  0.479 {31.H}    7.625  0.039  0.069    9486.940      4.034  0  0
   2010 {36.H 37.H 106.H}    7.466  0.028  0.027 {36.N 37.N 106.N}  118.440  0.710  0.677 {36.H 37.H 106.H}    7.470  0.179  0.256   24757.746      5.020  0  0
   2011 {?}    7.076  0.035  0.054 {?}  118.457  0.504  0.730 {?}    7.476  0.169  0.211      72.043      8.742  0  0
   2012 {?}    8.849  0.023  0.019 {?}  118.624  0.797  0.707 {?}    7.304  0.073  0.136    2815.533      4.455  0  0
   2013 {?}    7.899  0.028  0.087 {?}  118.611  0.620  1.288 {?}    7.283  0.124  0.191     880.909     26.432  0  0
   2014 {?}    9.338  0.036  0.051 {?}  118.512  1.018  1.385 {?}    7.228  0.086  0.103      90.919      9.529  0  0
   2015 {?}    7.689  0.025  0.020 {?}  118.487  0.781  0.611 {?}    7.196  0.089  0.074      82.792      4.259  0  0
   2016 {?}    7.897  0.026  0.040 {?}  118.634  0.551  0.872 {?}    7.154  0.053  0.075     509.194      9.349  0  0
   2017 {?}    8.849  0.032  0.033 {?}  118.661  0.450  0.468 {?}    7.098  0.097  0.100     419.666      5.439  0  0
   2018 {?}    9.191  0.026  0.025 {?}  118.455  0.517  0.482 {?}    7.061  0.068  0.132    1456.953      4.884  0  0
   2019 {?}    9.192  0.029  0.032 {?}  118.455  0.763  0.844 {?}    6.940  0.072  0.081    1627.592      5.809  0  0
   2020 {?}    7.311  0.035  0.094 {?}  118.656  0.665  1.351 {?}    6.934  0.105  0.183     276.392     33.281  0  0
   2021 {?}    7.571  0.035  0.094 {?}  118.465  0.665  1.351 {?}    6.898  0.105  0.183     719.815     33.281  0  0
   2022 {?}    7.901  0.023  0.017 {?}  118.599  0.737  0.582 {?}    6.859  0.147  0.211    1174.978      4.276  0  0
   2023 {?}    7.622  0.030  0.095 {?}  118.467  0.488  1.152 {?}    6.838  0.102  0.182      95.726     26.241  0  0
   2024 {?}    7.397  0.030  0.095 {?}  118.643  0.488  1.152 {?}    6.849  0.102  0.182     223.986     26.241  0  0
   2025 {?}    7.303  0.028  0.086 {?}  118.613  0.608  1.329 {?}    6.832  0.102  0.337     252.363     34.090  0  0
   2026 {?}    8.849  0.034  0.045 {?}  118.606  0.653  0.993 {?}    6.709  0.041  0.115     304.552      7.732  0  0
   2027 {?}    7.686  0.037  0.064 {?}  118.513  0.624  0.994 {?}    6.697  0.097  0.149     128.894      9.808  0  0
   2028 {?}    7.626  0.026  0.035 {?}  118.526  0.796  1.039 {?}    6.696  0.105  0.151      61.202      8.252  0  0
   2029 {?}    7.457  0.033  0.113 {?}  118.397  0.501  1.319 {?}    6.567  0.150  0.246    1429.775     39.806  0  0
   2030 {?}    7.620  0.031  0.030 {?}  118.443  0.683  0.640 {?}    6.540  0.172  0.246      28.560      4.906  0  0
   2031 {?}    8.848  0.028  0.068 {?}  118.601  0.608  1.225 {?}    6.508  0.206  0.295    1543.127     23.744  0  0
   2032 {?}    7.681  0.031  0.103 {?}  118.545  0.507  1.336 {?}    6.510  0.113  0.382      59.460     48.344  0  0
   2033 {?}    7.459  0.030  0.077 {?}  118.443  0.624  1.270 {?}    6.436  0.090  0.271     589.401     22.740  0  0
   2034 {?}    7.461  0.026  0.029 {?}  118.448  0.541  0.621 {?}    6.298  0.068  0.078     423.168      6.121  0  0
   2035 {?}    7.895  0.035  0.073 {?}  118.631  0.739  1.296 {?}    6.267  0.213  0.304     471.164     19.637  0  0
   2036 {?}    7.622  0.032  0.100 {?}  118.556  0.620  1.332 {?}    6.253  0.109  0.247       5.711     34.809  0  0
   2037 {?}    7.302  0.030  0.094 {?}  118.608  0.514  1.218 {?}    6.204  0.081  0.152     128.082     25.323  0  0
   2038 {?}    8.850  0.027  0.075 {?}  118.624  0.641  1.354 {?}    6.198  0.077  0.173    1282.206     32.440  0  0
   2039 {?}    7.459  0.027  0.075 {?}  118.377  0.641  1.354 {?}    6.181  0.077  0.173     370.871     32.440  0  0
   2040 {?}    7.463  0.027  0.075 {?}  118.485  0.641  1.354 {?}    6.045  0.077  0.173     600.710     32.440  0  0
   2041 {?}    7.566  0.035  0.077 {?}  118.468  0.670  1.326 {?}    5.900  0.105  0.151      60.143     26.613  0  0
   2042 {?}    7.460  0.030  0.072 {?}  118.414  0.510  1.053 {?}    5.892  0.074  0.151     407.072     17.548  0  0
   2043 {?}    9.192  0.035  0.094 {?}  118.447  0.650  1.351 {?}    5.800  0.105  0.151    3050.134     38.151  0  0
   2044 {?}    7.901  0.038  0.020 {?}  118.597  0.682  0.300 {?}    5.772  0.039  0.048    1017.688      3.342  0  0
   2045 {?}    7.350  0.027  0.127 {?}  118.631  0.626  1.603 {?}    5.756  0.106  0.328     180.364     66.653  0  0
   2046 {?}    7.465  0.027  0.127 {?}  118.467  0.626  1.603 {?}    5.490  0.106  0.328     880.195     66.653  0  0
   2047 {?}    8.846  0.037  0.132 {?}  118.624  1.124  2.384 {?}    5.485  0.134  0.256     421.396     83.555  0  0
   2048 {?}    7.899  0.035  0.102 {?}  118.652  0.657  1.394 {?}    5.482  0.147  0.211     224.860     39.083  0  0
   2049 {?}    7.689  0.037  0.118 {?}  118.507  0.537  1.766 {?}    5.475  0.100  0.151    1208.426     63.884  0  0
   2050 {?}    7.623  0.032  0.048 {?}  118.473  0.495  0.851 {?}    5.472  0.175  0.225     166.453     10.732  0  0
   2051 {?}    7.572  0.027  0.056 {?}  118.450  0.622  1.181 {?}    5.433  0.082  0.128     346.922     15.607  0  0
   2052 {?}    7.303  0.027  0.056 {?}  118.684  0.622  1.181 {?}    5.417  0.082  0.128     183.128     15.607  0  0
   2053 {?}    9.193  0.027  0.056 {?}  118.473  0.622  1.181 {?}    5.351  0.082  0.128     783.212     15.607  0  0
   2054 {?}    7.899  0.042  0.076 {?}  118.540  1.018  1.858 {?}    5.354  0.071  0.114     339.675     15.546  0  0
   2055 {?}    8.847  0.028  0.041 {?}  118.631  0.679  1.042 {?}    5.291  0.074  0.097     273.440      8.618  0  0
   2056 {?}    9.337  0.028  0.041 {?}  118.424  0.679  1.042 {?}    5.163  0.074  0.097     144.589      8.618  0  0
   2057 {?}    7.571  0.024  0.008 {?}  118.449  0.804  0.286 {?}    5.172  0.071  0.023     203.817      3.080  0  0
   2058 {?}    7.306  0.035  0.055 {?}  118.687  0.767  1.322 {?}    5.155  0.057  0.088     185.454      9.601  0  0
   2059 {?}    9.192  0.033  0.046 {?}  118.489  0.696  1.166 {?}    5.097  0.072  0.110     621.819     16.645  0  0
   2060 {?}    7.689  0.012  0.013 {?}  118.493  0.546  0.590 {?}    5.089  0.068  0.072     345.392      5.680  0  0
   2061 {38.H}    7.306  0.033  0.050 {38.N}  118.681  0.755  1.220 {39.HA}    5.052  0.071  0.116     114.999     17.527  0  0
   2062 {?}    9.337  0.026  0.030 {?}  118.432  0.852  0.973 {?}    5.032  0.076  0.089      72.301      6.315  0  0
   2063 {?}    7.894  0.029  0.034 {?}  118.551  0.602  0.794 {?}    4.983  0.072  0.087     649.197      7.060  0  0
   2064 {?}    7.689  0.033  0.119 {?}  118.493  0.558  1.390 {?}    4.949  0.079  0.215     475.831     82.675  0  0
   2065 {?}    7.466  0.027  0.027 {?}  118.441  0.622  0.633 {?}    4.926  0.098  0.100     152.431      5.313  0  0
   2066 {?}    7.295  0.036  0.058 {?}  118.604  0.585  1.127 {?}    4.875  0.100  0.173     121.070     14.585  0  0
   2067 {23.H}    7.897  0.036  0.066 {23.N}  118.591  0.526  1.146 {21.HA}    4.827  0.135  0.284     396.945     16.257  0  0
   2068 {?}    9.187  0.035  0.051 {?}  118.519  0.522  0.812 {?}    4.749  0.098  0.154    1130.652      8.972  0  0
   2069 {?}    9.334  0.035  0.024 {?}  118.426  0.843  0.603 {?}    4.677  0.106  0.075     157.711      3.837  0  0
   2070 {?}    7.570  0.024  0.019 {?}  118.402  0.696  0.530 {?}    4.631  0.110  0.091    1075.698      4.218  0  0
   2071 {135.H}    7.624  0.037  0.227 {135.N}  118.375  0.513  2.578 {136.HA}    4.591  0.070  0.100     325.546    180.796  0  0
   2072 {?}    7.898  0.037  0.227 {?}  118.564  0.513  2.578 {?}    4.579  0.070  0.100     934.972    180.796  0  0
   2073 {?}    7.689  0.040  0.247 {?}  118.490  1.392  2.127 {?}    4.539  0.084  0.266     771.707    138.141  0  0
   2074 {111.H}    7.899  0.033  0.141 {111.N}  118.592  0.721  1.858 {110.HA}    4.444  0.084  0.424    1187.981    103.930  0  0
   2075 {141.H}    9.334  0.026  0.037 {141.N}  118.427  0.746  0.629 {141.HB2}    4.395  0.134  0.111     253.006      4.480  0  0
   2076 {6.H}    7.471  0.033  0.063 {6.N}  118.466  0.657  1.102 {6.HA}    4.383  0.071  0.149     705.319     15.175  0  0
   2077 {52.H}    7.692  0.026  0.030 {52.N}  118.501  0.600  0.737 {81.HA}    4.365  0.091  0.107     204.968      6.562  0  0
   2078 {31.H 39.H}    7.624  0.029  0.042 {31.N 39.N}  118.413  0.497  0.729 {31.HA 38.HA}    4.356  0.110  0.283     499.206      8.998  0  0
   2079 {52.H}    7.689  0.029  0.032 {52.N}  118.494  0.717  0.803 {52.HA}    4.208  0.053  0.129     534.988      5.820  0  0
   2080 {37.H}    7.472  0.035  0.042 {37.N}  118.448  0.668  0.817 {37.HA}    4.126  0.087  0.109    2589.630      6.835  0  0
   2081 {38.H}    7.300  0.035  0.056 {38.N}  118.569  0.527  0.880 {37.HA}    4.135  0.076  0.110     176.126     10.326  0  0
   2082 {111.H}    7.899  0.043  0.043 {111.N}  118.565  0.699  0.709 {111.HA}    4.119  0.122  0.123    1801.677      5.274  0  0
   2083 {31.H}    7.625  0.033  0.072 {31.N}  118.400  0.514  1.135 {30.HA}    4.071  0.139  0.271     322.595     18.027  0  0
   2084 {110.H}    8.849  0.033  0.075 {110.N}  118.620  0.702  1.263 {109.HB}    3.938  0.098  0.211     907.010     31.659  0  0
   2085 {11.H}    8.849  0.032  0.097 {11.N}  118.553  0.720  1.621 {11.HB2}    3.770  0.081  0.160     670.136     51.004  0  0
   2086 {36.H}    7.453  0.029  0.023 {36.N}  118.379  0.893  0.705 {35.HA}    3.669  0.148  0.097    1988.900      4.217  0  0
   2087 {11.H}    8.849  0.033  0.032 {11.N}  118.594  0.616  0.578 {10.HB3}    3.419  0.067  0.130    3352.223      4.911  0  0
   2088 {52.H}    7.688  0.026  0.011 {52.N}  118.485  0.960  0.480 {79.HA3}    3.416  0.051  0.046     894.134      3.210  0  0
   2089 {135.H}    7.571  0.021  0.016 {135.N}  118.391  0.598  0.460 {134.HA}    3.340  0.147  0.211    2122.042      4.237  0  0
   2090 {36.H}    7.445  0.041  0.019 {36.N}  118.465  0.570  0.340 {36.HA}    3.352  0.158  0.169    3343.060      3.715  0  0
   2091 {?}    7.628  0.024  0.004 {?}  118.444  0.667  0.102 {?}    3.260  0.106  0.015     235.183      2.824  0  0
   2092 {135.H}    7.571  0.033  0.021 {135.N}  118.522  0.538  0.344 {135.HB2}    3.186  0.190  0.271    1165.787      3.831  0  0
   2093 {129.H}    9.191  0.035  0.009 {129.N}  118.466  1.154  0.298 {129.HB2}    3.136  0.120  0.039     973.698      3.013  0  0
   2094 {11.H}    8.848  0.033  0.036 {11.N}  118.647  0.630  0.709 {10.HB2}    3.154  0.070  0.080    1246.997      5.875  0  0
   2095 {52.H}    7.688  0.032  0.099 {52.N}  118.498  0.548  1.315 {51.HB2}    3.022  0.089  0.219    1489.193     51.297  0  0
   2096 {110.H}    8.852  0.038  0.049 {110.N}  118.671  0.697  0.874 {111.HE2}    2.976  0.113  0.155      61.992      6.934  0  0
   2097 {23.H}    7.899  0.037  0.068 {23.N}  118.608  0.498  1.172 {23.HB3}    2.994  0.094  0.170     685.621     20.364  0  0
   2098 {?}    7.568  0.036  0.029 {?}  118.453  0.579  0.428 {?}    2.972  0.045  0.033     170.942      4.139  0  0
   2099 {?}    7.296  0.033  0.052 {?}  118.523  0.528  0.902 {?}    2.978  0.077  0.117     132.967     10.633  0  0
   2100 {?}    7.453  0.038  0.036 {?}  118.529  0.576  0.540 {?}    2.830  0.033  0.071     845.458      4.906  0  0
   2101 {?}    7.570  0.037  0.070 {?}  118.448  0.535  1.098 {?}    2.786  0.046  0.139     409.960     15.342  0  0
   2102 {52.H}    7.689  0.021  0.011 {52.N}  118.517  0.835  0.442 {51.HB3}    2.590  0.117  0.182     979.130      3.378  0  0
   2103 {52.H}    7.624  0.039  0.069 {52.N}  118.440  0.501  0.922 {51.HB3}    2.605  0.105  0.151     149.785     13.122  0  0
   2104 {?}    9.338  0.035  0.029 {?}  118.427  0.590  0.446 {?}    2.476  0.179  0.244     273.196      4.189  0  0
   2105 {?}    9.192  0.032  0.008 {?}  118.449  1.067  0.243 {?}    2.443  0.134  0.192     311.447      2.862  0  0
   2106 {?}    7.894  0.038  0.064 {?}  118.575  0.502  0.904 {?}    2.439  0.105  0.151     202.292     12.083  0  0
   2107 {?}    7.898  0.037  0.059 {?}  118.581  0.567  0.996 {?}    2.240  0.105  0.151    3843.378     11.200  0  0
   2108 {?}    7.624  0.028  0.018 {?}  118.401  0.730  0.389 {?}    2.240  0.147  0.211   13782.653      3.531  0  0
   2109 {?}    7.450  0.023  0.007 {?}  118.404  0.916  0.239 {?}    2.244  0.105  0.151    1432.060      3.001  0  0
   2110 {?}    9.189  0.044  0.032 {?}  118.513  0.637  0.383 {?}    2.132  0.105  0.151    1993.449      3.729  0  0
   2111 {?}    9.335  0.036  0.089 {?}  118.387  0.482  1.223 {?}    2.072  0.122  0.161    1923.005     31.293  0  0
   2112 {52.H}    7.687  0.033  0.074 {52.N}  118.492  0.717  1.198 {53.HB3}    2.023  0.068  0.104     613.620     19.391  0  0
   2113 {?}    7.625  0.023  0.017 {?}  118.387  0.748  0.539 {?}    2.038  0.134  0.192    2178.460      4.068  0  0
   2114 {?}    7.448  0.031  0.050 {?}  118.443  0.508  0.859 {?}    2.030  0.060  0.084    3514.820     10.158  0  0
   2115 {?}    7.899  0.031  0.031 {?}  118.574  0.632  0.623 {?}    1.985  0.055  0.120    6153.890      5.143  0  0
   2116 {129.H}    9.192  0.035  0.057 {129.N}  118.470  0.561  0.925 {129.HB3}    1.973  0.054  0.088    4795.104     10.284  0  0
   2117 {111.H}    7.899  0.030  0.059 {111.N}  118.569  0.739  1.167 {111.HD3}    1.777  0.071  0.111    5983.311     15.272  0  0
   2118 {45.H 45.H}    9.191  0.025  0.016 {45.N 45.N}  118.510  0.861  0.414 {45.HB2 45.HD2}    1.747  0.113  0.065    1852.759      3.479  0  0
   2119 {31.H}    7.624  0.026  0.022 {31.N}  118.391  0.607  0.493 {33.HG}    1.756  0.168  0.147    1062.800      4.390  0  0
   2120 {31.H}    7.571  0.029  0.020 {31.N}  118.492  0.836  0.518 {33.HG}    1.757  0.126  0.169    4040.013      3.747  0  0
   2121 {141.H 141.H}    9.335  0.031  0.047 {141.N 141.N}  118.381  0.744  1.078 {126.HG2 126.HG3}    1.730  0.138  0.222      90.409     10.534  0  0
   2122 {?}    7.688  0.036  0.097 {?}  118.462  0.513  1.293 {?}    1.724  0.109  0.155     905.744     34.205  0  0
   2123 {?}    7.899  0.038  0.041 {?}  118.589  0.617  0.663 {?}    1.637  0.093  0.098    1278.544      5.640  0  0
   2124 {?}    8.848  0.035  0.065 {?}  118.642  0.518  0.937 {?}    1.615  0.116  0.215     973.907     12.783  0  0
   2125 {36.H}    7.452  0.033  0.054 {36.N}  118.442  0.686  0.965 {36.HB2}    1.527  0.098  0.175   13454.582      9.578  0  0
   2126 {52.H}    7.689  0.035  0.034 {52.N}  118.503  0.886  0.870 {52.HB3}    1.501  0.147  0.211    4970.125      5.110  0  0
   2127 {?}    7.898  0.032  0.068 {?}  118.567  0.711  1.284 {?}    1.421  0.097  0.271    1178.794     22.219  0  0
   2128 {?}    7.070  0.028  0.046 {?}  118.631  0.545  1.046 {?}    1.423  0.105  0.151      46.929     12.527  0  0
   2129 {37.H}    7.472  0.033  0.070 {37.N}  118.443  0.570  1.232 {37.HB3}    1.410  0.114  0.164   21284.801     22.502  0  0
   2130 {?}    9.193  0.036  0.077 {?}  118.433  0.518  1.210 {?}    1.356  0.109  0.211    2717.457     27.017  0  0
   2131 {?}    9.334  0.036  0.045 {?}  118.414  0.848  1.056 {?}    1.351  0.190  0.271     202.667      7.797  0  0
   2132 {?}    7.569  0.033  0.055 {?}  118.529  0.505  0.867 {?}    1.254  0.134  0.192     340.301     11.111  0  0
   2133 {111.H}    7.899  0.036  0.084 {111.N}  118.601  0.560  1.234 {111.HG3}    1.220  0.105  0.151    2876.288     24.266  0  0
   2134 {45.H}    9.190  0.031  0.051 {45.N}  118.521  0.617  1.045 {45.HG2}    1.127  0.044  0.137    3436.772     11.903  0  0
   2135 {?}    7.447  0.034  0.087 {?}  118.514  0.564  1.341 {?}    1.130  0.098  0.211    2343.768     44.393  0  0
   2136 {?}    8.849  0.036  0.059 {?}  118.575  0.552  1.017 {?}    1.025  0.172  0.246     283.740     12.606  0  0
   2137 {106.H}    7.454  0.036  0.066 {106.N}  118.399  0.521  0.998 {106.HG12}    0.983  0.159  0.271    1690.853     14.867  0  0
   2138 {?}    9.336  0.031  0.068 {?}  118.399  0.585  1.202 {?}    0.930  0.113  0.187    1589.562     19.221  0  0
   2139 {?}    9.189  0.033  0.129 {?}  118.497  0.719  1.774 {?}    0.935  0.082  0.167    1990.368    107.356  0  0
   2140 {31.H 31.H}    7.624  0.038  0.124 {31.N 31.N}  118.397  0.512  1.311 {33.HD11 33.HD12}    0.914  0.146  0.213     860.883     53.816  0  0
   2141 {?}    7.452  0.033  0.058 {?}  118.403  0.610  1.201 {?}    0.836  0.062  0.115    4700.750     15.767  0  0
   2142 {141.H}    9.336  0.024  0.021 {141.N}  118.386  1.139  1.018 {140.HG13}    0.763  0.090  0.085    1458.494      4.676  0  0
   2143 {?}    9.192  0.033  0.075 {?}  118.472  0.749  1.229 {?}    0.772  0.063  0.090     540.976     17.173  0  0
   2144 {?}    7.454  0.032  0.096 {?}  118.380  0.574  1.360 {?}    0.723  0.136  0.212   10633.100     58.899  0  0
   2145 {?}    7.686  0.032  0.096 {?}  118.562  0.574  1.360 {?}    0.609  0.136  0.212      90.760     58.899  0  0
   2146 {?}    7.689  0.037  0.127 {?}  118.512  0.518  1.354 {?}    0.359  0.105  0.151     649.583     69.754  0  0
   2147 {?}    8.849  0.034  0.145 {?}  118.600  0.719  1.468 {?}    0.267  0.201  0.408    1164.857     38.617  0  0
   2148 {120.H}    8.349  0.034  0.135 {120.N}  118.112  0.531  1.346 {119.H}    9.582  0.105  0.151    1095.485     66.218  0  0
   2149 {120.H}    8.349  0.031  0.028 {120.N}  118.165  0.897  0.800 {161.H}    9.251  0.105  0.151      91.045      4.591  0  0
   2150 {?}    6.943  0.036  0.096 {?}  118.236  0.523  1.219 {?}    9.154  0.083  0.144     958.942     20.145  0  0
   2151 {6.H}    7.431  0.035  0.019 {6.N}  118.220  0.866  0.395 {3.H}    9.082  0.105  0.066     770.481      3.386  0  0
   2152 {120.H}    8.346  0.028  0.027 {120.N}  118.146  0.903  0.834 {62.H}    8.926  0.066  0.140     104.903      4.834  0  0
   2153 {?}    7.429  0.038  0.032 {?}  118.236  0.909  0.654 {?}    8.927  0.066  0.048     146.021      4.066  0  0
   2154 {141.H}    9.334  0.032  0.024 {141.N}  118.322  0.832  0.650 {143.H}    8.811  0.077  0.057     587.318      4.189  0  0
   2155 {128.H}    6.942  0.016  0.016 {128.N}  118.244  1.171  0.333 {42.H}    8.706  0.099  0.032     367.896      3.015  0  0
   2156 {120.H}    8.349  0.033  0.036 {120.N}  118.100  0.478  0.557 {122.H}    8.594  0.154  0.211     901.531      6.238  0  0
   2157 {?}    9.331  0.027  0.059 {?}  118.271  0.667  1.596 {?}    8.559  0.068  0.131     158.254     28.652  0  0
   2158 {120.H}    8.350  0.026  0.053 {120.N}  118.106  0.531  1.233 {120.H}    8.361  0.071  0.125    7050.472     23.771  0  0
   2159 {?}    6.941  0.033  0.030 {?}  118.202  0.474  0.401 {?}    8.221  0.096  0.083     217.768      4.516  0  0
   2160 {141.H}    9.338  0.040  0.091 {141.N}  118.308  0.477  1.083 {19.H}    8.142  0.135  0.192      30.855     23.289  0  0
   2161 {?}    9.334  0.031  0.005 {?}  118.211  0.859  0.162 {?}    8.039  0.122  0.025      53.986      2.846  0  0
   2162 {?}    8.349  0.026  0.036 {?}  118.107  0.515  0.673 {?}    8.058  0.147  0.211      71.650      7.532  0  0
   2163 {6.H 6.H}    7.431  0.025  0.014 {6.N 6.N}  118.241  1.029  0.656 {5.H 7.H}    7.986  0.088  0.052    3382.274      3.509  0  0
   2164 {106.H}    7.453  0.019  0.005 {106.N}  118.351  0.915  0.232 {107.H}    7.836  0.068  0.016    2148.615      2.970  0  0
   2165 {31.H 39.H 135.H}    7.573  0.022  0.016 {31.N 39.N 135.N}  118.286  0.709  0.457 {31.H 39.H 135.H}    7.575  0.169  0.108   16167.695      3.842  0  0
   2166 {?}    8.349  0.032  0.024 {?}  118.129  0.824  0.620 {?}    7.493  0.232  0.331     266.557      4.187  0  0
   2167 {6.H 36.H 37.H 106.H}    7.437  0.025  0.006 {6.N 36.N 37.N 106.N}  118.344  0.551  0.110 {6.H 36.H 37.H 106.H}    7.447  0.086  0.017   20347.496      2.898  0  0
   2168 {?}    6.938  0.030  0.016 {?}  118.248  0.751  0.247 {?}    7.429  0.091  0.031      20.807      3.130  0  0
   2169 {120.H}    8.348  0.027  0.022 {120.N}  118.078  0.816  0.636 {123.H}    7.371  0.114  0.169     368.835      4.236  0  0
   2170 {39.H}    7.572  0.037  0.044 {39.N}  118.316  0.503  0.598 {38.H}    7.332  0.067  0.226    7967.159      6.419  0  0
   2171 {120.H}    8.349  0.033  0.005 {120.N}  118.124  0.740  0.139 {121.H}    7.217  0.174  0.054    1691.736      2.866  0  0
   2172 {?}    7.623  0.036  0.103 {?}  118.280  0.485  1.232 {?}    7.102  0.074  0.136     293.302     29.487  0  0
   2173 {?}    7.571  0.031  0.014 {?}  118.310  0.933  0.279 {?}    7.086  0.120  0.037    1555.432      2.966  0  0
   2174 {?}    7.453  0.038  0.039 {?}  118.353  0.615  0.632 {?}    7.052  0.072  0.073    2783.002      5.363  0  0
   2175 {?}    8.347  0.027  0.008 {?}  118.063  0.635  0.206 {?}    7.009  0.066  0.081     251.815      3.112  0  0
   2176 {128.H}    6.942  0.036  0.125 {128.N}  118.222  0.758  1.082 {128.H}    6.941  0.136  0.253    4234.248     65.935  0  0
   2177 {?}    8.346  0.034  0.073 {?}  118.138  0.674  1.298 {?}    6.826  0.077  0.140      42.563     22.016  0  0
   2178 {?}    7.439  0.034  0.073 {?}  118.307  0.674  1.298 {?}    6.725  0.077  0.140     698.775     22.016  0  0
   2179 {?}    6.940  0.036  0.092 {?}  118.212  0.709  1.358 {?}    6.704  0.079  0.175     256.868     30.315  0  0
   2180 {?}    7.571  0.032  0.040 {?}  118.350  0.547  0.712 {?}    6.569  0.046  0.060    1068.038      7.245  0  0
   2181 {?}    6.948  0.037  0.136 {?}  118.305  0.554  1.794 {?}    6.573  0.082  0.117      74.581     67.279  0  0
   2182 {?}    7.568  0.031  0.087 {?}  118.280  0.665  1.336 {?}    6.315  0.085  0.177     503.857     40.557  0  0
   2183 {?}    7.573  0.037  0.021 {?}  118.287  0.724  0.345 {?}    6.085  0.105  0.057     116.299      3.418  0  0
   2184 {128.H}    6.942  0.032  0.052 {128.N}  118.217  0.732  1.112 {128.HD22}    5.793  0.069  0.099    1548.394     12.615  0  0
   2185 {?}    7.572  0.034  0.053 {?}  118.252  0.551  1.017 {?}    5.770  0.069  0.106     267.842     11.166  0  0
   2186 {?}    7.431  0.037  0.045 {?}  118.370  0.655  0.886 {?}    5.742  0.167  0.211     222.563      7.042  0  0
   2187 {?}    8.351  0.026  0.027 {?}  118.149  0.635  0.235 {?}    5.596  0.046  0.056       5.661      3.199  0  0
   2188 {?}    7.434  0.032  0.176 {?}  118.334  0.660  1.793 {?}    5.505  0.075  0.108     519.413    103.897  0  0
   2189 {?}    6.941  0.029  0.038 {?}  118.205  0.807  1.003 {?}    5.298  0.109  0.149     572.487      6.661  0  0
   2190 {?}    9.334  0.037  0.071 {?}  118.339  0.497  1.037 {?}    5.275  0.078  0.164     122.207     19.062  0  0
   2191 {?}    7.433  0.023  0.003 {?}  118.313  0.679  0.075 {?}    5.194  0.050  0.022     936.866      2.760  0  0
   2192 {?}    7.629  0.027  0.023 {?}  118.285  0.659  0.537 {?}    5.174  0.105  0.151      22.122      4.402  0  0
   2193 {?}    6.944  0.031  0.026 {?}  118.217  0.812  0.719 {?}    5.052  0.139  0.128     313.577      4.579  0  0
   2194 {?}    7.440  0.026  0.015 {?}  118.286  0.883  0.526 {?}    4.983  0.135  0.193     586.231      3.392  0  0
   2195 {?}    7.575  0.035  0.099 {?}  118.342  0.744  2.024 {?}    4.951  0.079  0.225     228.731    101.855  0  0
   2196 {?}    6.942  0.028  0.184 {?}  118.221  0.712  1.287 {?}    4.906  0.080  0.284     195.087    199.964  0  0
   2197 {?}    8.346  0.028  0.184 {?}  118.166  0.712  1.287 {?}    4.811  0.080  0.284     384.133    199.964  0  0
   2198 {?}    6.942  0.028  0.011 {?}  118.218  0.674  0.244 {?}    4.769  0.130  0.068     148.478      3.184  0  0
   2199 {?}    7.433  0.025  0.024 {?}  118.282  0.582  0.541 {?}    4.678  0.075  0.065    1271.490      4.870  0  0
   2200 {?}    8.349  0.029  0.061 {?}  118.176  0.683  1.188 {?}    4.555  0.065  0.118     362.643     20.808  0  0
   2201 {?}    6.945  0.038  0.030 {?}  118.317  0.534  0.398 {?}    4.542  0.193  0.155      30.024      4.158  0  0
   2202 {135.H}    7.573  0.038  0.057 {135.N}  118.266  0.532  0.850 {135.HA}    4.511  0.072  0.100     452.432      9.487  0  0
   2203 {?}    7.438  0.033  0.105 {?}  118.316  0.653  1.673 {?}    4.528  0.083  0.118    1705.321     89.665  0  0
   2204 {?}    8.350  0.028  0.003 {?}  118.127  1.154  0.094 {?}    4.428  0.058  0.013     724.885      2.721  0  0
   2205 {?}    6.941  0.033  0.023 {?}  118.241  0.538  0.336 {?}    4.388  0.073  0.119     305.714      3.791  0  0
   2206 {120.H}    8.349  0.029  0.080 {120.N}  118.108  0.675  1.216 {120.HA}    4.316  0.141  0.202     861.006     21.203  0  0
   2207 {?}    6.943  0.026  0.027 {?}  118.259  0.566  0.611 {?}    4.251  0.102  0.146     363.926      5.670  0  0
   2208 {6.H 36.H 106.H}    7.438  0.032  0.062 {6.N 36.N 106.N}  118.345  0.638  1.136 {5.HA 33.HA 105.HA}    4.007  0.147  0.211     607.034     16.071  0  0
   2209 {120.H}    8.349  0.042  0.049 {120.N}  118.124  0.550  0.676 {119.HA}    3.772  0.105  0.150     364.493      6.761  0  0
   2210 {?}    7.573  0.032  0.053 {?}  118.145  0.705  1.016 {?}    3.745  0.097  0.139    1727.690     10.680  0  0
   2211 {?}    6.936  0.041  0.064 {?}  118.254  0.573  1.110 {?}    3.688  0.120  0.271     114.626     12.953  0  0
   2212 {?}    7.574  0.033  0.057 {?}  118.227  0.527  0.911 {?}    3.588  0.122  0.189     468.524     10.345  0  0
   2213 {?}    6.942  0.026  0.019 {?}  118.256  0.779  0.534 {?}    3.259  0.105  0.151     345.863      3.946  0  0
   2214 {120.H}    8.346  0.036  0.041 {120.N}  118.141  0.735  0.855 {118.HB3}    3.171  0.095  0.271     584.673      6.386  0  0
   2215 {?}    6.941  0.022  0.004 {?}  118.233  0.816  0.112 {?}    3.125  0.072  0.042     536.992      2.797  0  0
   2216 {6.H}    7.432  0.027  0.020 {6.N}  118.241  0.790  0.619 {6.HB3}    2.965  0.134  0.192    3300.497      3.952  0  0
   2217 {?}    6.940  0.019  0.008 {?}  118.250  0.861  0.383 {?}    2.957  0.105  0.151      22.631      3.269  0  0
   2218 {141.H 141.H}    9.337  0.028  0.016 {141.N 141.N}  118.363  0.800  0.312 {17.HB2 18.HB2}    2.615  0.076  0.079     195.477      3.191  0  0
   2219 {?}    7.431  0.031  0.021 {?}  118.233  0.700  0.460 {?}    2.566  0.097  0.145    2578.703      3.881  0  0
   2220 {?}    8.351  0.029  0.009 {?}  118.158  0.796  0.207 {?}    2.484  0.177  0.107     283.270      2.991  0  0
   2221 {?}    7.574  0.033  0.017 {?}  118.095  0.884  0.362 {?}    2.445  0.147  0.211    4860.670      3.170  0  0
   2222 {?}    6.940  0.032  0.045 {?}  118.142  0.518  0.701 {?}    2.432  0.067  0.086     309.138      7.880  0  0
   2223 {?}    8.349  0.028  0.015 {?}  118.092  0.484  0.207 {?}    2.328  0.114  0.061     923.177      3.316  0  0
   2224 {?}    7.575  0.022  0.012 {?}  118.112  0.730  0.328 {?}    2.275  0.076  0.097    3593.595      3.349  0  0
   2225 {?}    9.337  0.028  0.024 {?}  118.337  0.804  0.630 {?}    2.239  0.190  0.271     450.370      4.237  0  0
   2226 {135.H}    7.572  0.037  0.049 {135.N}  118.330  0.470  0.632 {135.HB3}    2.157  0.061  0.077    4804.520      7.959  0  0
   2227 {120.H}    8.350  0.023  0.010 {120.N}  118.101  0.774  0.376 {119.HB2}    2.028  0.134  0.192    1426.782      3.281  0  0
   2228 {128.H}    6.942  0.029  0.011 {128.N}  118.229  0.816  0.297 {128.HB3}    1.976  0.147  0.211    2043.731      3.087  0  0
   2229 {?}    8.350  0.029  0.022 {?}  118.085  0.638  0.444 {?}    1.828  0.105  0.151     911.930      4.001  0  0
   2230 {128.H}    6.942  0.030  0.023 {128.N}  118.223  0.842  0.648 {126.HG2}    1.720  0.105  0.151    2812.750      4.073  0  0
   2231 {120.H 120.H}    8.350  0.025  0.016 {120.N 120.N}  118.111  0.807  0.608 {120.HB1 120.HB2}    1.547  0.160  0.228    7904.705      3.928  0  0
   2232 {?}    9.335  0.037  0.063 {?}  118.310  0.514  0.927 {?}    1.454  0.056  0.133     412.794     11.616  0  0
   2233 {?}    7.573  0.022  0.016 {?}  118.224  0.767  0.480 {?}    1.457  0.105  0.151    5452.390      3.716  0  0
   2234 {?}    6.940  0.034  0.051 {?}  118.303  0.574  0.837 {?}    1.344  0.105  0.151      74.017      8.662  0  0
   2235 {?}    6.942  0.032  0.032 {?}  118.220  0.558  0.557 {?}    1.131  0.134  0.192     896.348      5.211  0  0
   2236 {128.H}    6.941  0.031  0.034 {128.N}  118.220  0.789  0.849 {127.HG21}    0.947  0.071  0.171    1723.630      5.823  0  0
   2237 {?}    8.350  0.046  0.040 {?}  118.119  0.531  0.460 {?}    0.905  0.105  0.151    1548.528      4.597  0  0
   2238 {?}    6.942  0.030  0.036 {?}  118.221  0.711  0.846 {?}    0.793  0.274  0.391    2225.667      6.433  0  0
   2239 {?}    8.350  0.033  0.032 {?}  118.135  0.582  0.571 {?}    0.773  0.063  0.090     764.637      5.122  0  0
   2240 {?}    6.941  0.026  0.009 {?}  118.221  0.967  0.296 {?}    0.571  0.082  0.022     865.775      3.011  0  0
   2241 {?}    7.452  0.027  0.034 {?}  118.350  0.598  0.761 {?}    0.282  0.105  0.151    2353.081      6.822  0  0
   2242 {?}    9.335  0.037  0.054 {?}  118.323  0.615  0.974 {?}    0.190  0.105  0.151     243.121      9.245  0  0
   2243 {106.H 106.H}    7.454  0.027  0.037 {106.N 106.N}  118.328  0.620  0.866 {152.HD12 152.HD13}   -0.160  0.105  0.151     297.427      7.621  0  0
   2244 {107.H}    7.844  0.034  0.077 {107.N}  117.902  0.695  1.165 {107.H}    7.840  0.051  0.211    8826.834     15.650  0  0
   2245 {107.H}    7.844  0.025  0.044 {107.N}  117.885  0.644  1.121 {106.H}    7.469  0.097  0.128    1884.374     15.383  0  0
   2246 {107.H}    7.845  0.027  0.038 {107.N}  117.893  0.703  0.958 {108.H}    7.310  0.032  0.080    3453.481      8.738  0  0
   2247 {?}    7.846  0.028  0.026 {?}  117.889  0.579  0.540 {?}    6.860  0.243  0.232      36.262      4.890  0  0
   2248 {?}    7.845  0.027  0.046 {?}  117.908  0.543  1.005 {?}    6.532  0.073  0.107      68.855     12.906  0  0
   2249 {?}    7.841  0.026  0.018 {?}  117.994  0.668  0.386 {?}    5.883  0.052  0.074       7.743      3.667  0  0
   2250 {?}    8.345  0.035  0.043 {?}  118.060  0.597  0.779 {?}    4.997  0.132  0.165     115.832      6.989  0  0
   2251 {?}    7.848  0.039  0.017 {?}  117.909  0.761  0.340 {?}    5.004  0.096  0.138      59.481      3.339  0  0
   2252 {?}    7.840  0.033  0.063 {?}  117.944  0.672  1.135 {?}    4.738  0.083  0.171     250.751     15.929  0  0
   2253 {?}    7.844  0.037  0.080 {?}  117.953  0.573  1.228 {?}    4.476  0.116  0.189     262.826     18.639  0  0
   2254 {?}    7.848  0.033  0.052 {?}  117.825  0.706  1.013 {?}    4.279  0.105  0.151     113.208     10.057  0  0
   2255 {39.H}    7.571  0.035  0.057 {39.N}  117.996  0.606  1.050 {37.HA}    4.121  0.141  0.209      49.992     12.261  0  0
   2256 {107.H}    7.844  0.034  0.077 {107.N}  117.849  0.675  1.127 {105.HA}    3.991  0.066  0.184     826.437     15.313  0  0
   2257 {?}    8.996  0.041  0.054 {?}  117.807  0.626  0.777 {?}    3.961  0.134  0.192       2.685      6.446  0  0
   2258 {107.H}    7.844  0.032  0.055 {107.N}  117.875  0.518  1.011 {106.HA}    3.690  0.077  0.129     443.293     14.113  0  0
   2259 {140.H}    8.995  0.037  0.066 {140.N}  117.781  0.556  0.930 {126.HD3}    3.446  0.103  0.165     106.695      9.928  0  0
   2260 {?}    7.850  0.032  0.037 {?}  117.823  0.737  0.859 {?}    3.399  0.086  0.099      20.718      6.334  0  0
   2261 {?}    7.845  0.031  0.053 {?}  117.981  0.645  1.060 {?}    3.217  0.151  0.227      73.285     12.098  0  0
   2262 {?}    8.989  0.037  0.052 {?}  117.854  0.701  1.075 {?}    3.174  0.068  0.235      43.692     12.008  0  0
   2263 {120.H}    8.352  0.034  0.103 {120.N}  118.017  0.526  1.347 {123.HB2}    2.998  0.147  0.211     192.789     56.599  0  0
   2264 {?}    8.988  0.031  0.021 {?}  117.783  0.609  0.410 {?}    2.810  0.063  0.090     100.575      3.928  0  0
   2265 {107.H}    7.844  0.035  0.097 {107.N}  117.891  0.505  1.321 {107.HB3}    2.687  0.147  0.211    3263.881     51.868  0  0
   2266 {?}    7.842  0.037  0.103 {?}  117.892  0.549  1.225 {?}    2.458  0.115  0.201     323.540     22.200  0  0
   2267 {?}    8.991  0.038  0.067 {?}  117.759  0.751  1.121 {?}    2.412  0.249  0.356     225.022     10.838  0  0
   2268 {?}    7.575  0.033  0.121 {?}  118.050  0.674  1.454 {?}    2.039  0.097  0.171    3593.210     50.797  0  0
   2269 {?}    7.842  0.035  0.054 {?}  117.865  0.556  0.916 {?}    1.958  0.134  0.192     229.100      9.817  0  0
   2270 {?}    7.841  0.036  0.060 {?}  117.950  0.733  1.088 {?}    1.800  0.105  0.151     467.129     11.813  0  0
   2271 {?}    8.208  0.035  0.063 {?}  118.047  0.549  0.903 {?}    1.555  0.113  0.271     254.885     10.524  0  0
   2272 {?}    7.844  0.034  0.057 {?}  117.896  0.498  1.049 {?}    1.539  0.122  0.271     971.597     17.355  0  0
   2273 {?}    7.843  0.032  0.103 {?}  117.863  0.653  1.407 {?}    1.436  0.099  0.271     825.799     49.873  0  0
   2274 {?}    7.845  0.032  0.034 {?}  117.939  0.686  0.739 {?}    1.246  0.105  0.151     439.579      5.657  0  0
   2275 {?}    7.578  0.033  0.064 {?}  117.978  0.664  1.926 {?}    1.063  0.080  0.115     282.308    170.513  0  0
   2276 {?}    7.845  0.038  0.070 {?}  117.889  0.544  1.143 {?}    0.977  0.128  0.182     734.156     16.127  0  0
   2277 {?}    7.845  0.033  0.111 {?}  117.905  0.653  1.368 {?}    0.827  0.133  0.256    1191.718     46.216  0  0
   2278 {?}    7.577  0.033  0.111 {?}  117.971  0.653  1.368 {?}    0.767  0.133  0.256     198.322     46.216  0  0
   2279 {107.H}    7.845  0.029  0.097 {107.N}  117.888  0.691  1.381 {106.HG21}    0.707  0.058  0.115    3513.695     38.023  0  0
   2280 {107.H}    7.848  0.037  0.079 {107.N}  117.867  0.525  1.057 {132.HD23}    0.553  0.122  0.271     199.671     15.179  0  0
   2281 {?}    7.845  0.035  0.068 {?}  117.892  0.521  1.120 {?}    0.276  0.067  0.169     550.539     18.741  0  0
   2282 {107.H}    7.845  0.034  0.067 {107.N}  117.902  0.699  1.156 {152.HD12}   -0.160  0.080  0.137       5.473     17.711  0  0
   2283 {75.H}    7.357  0.034  0.080 {75.N}  117.756  0.505  1.246 {76.HD13}   -0.486  0.201  0.356     169.445     27.428  0  0
   2284 {140.H}    8.990  0.038  0.170 {140.N}  117.696  0.550  1.545 {139.H}    9.496  0.146  0.209     193.495     51.484  0  0
   2285 {140.H}    8.991  0.032  0.049 {140.N}  117.683  0.636  1.043 {141.H}    9.338  0.056  0.107      42.141     10.822  0  0
   2286 {140.H}    8.992  0.032  0.039 {140.N}  117.708  0.679  0.953 {140.H}    8.991  0.055  0.149    5770.384      7.351  0  0
   2287 {?}    8.998  0.040  0.032 {?}  117.692  0.710  0.572 {?}    8.559  0.100  0.083      19.217      4.279  0  0
   2288 {140.H}    8.991  0.040  0.032 {140.N}  117.686  0.710  0.572 {19.H}    8.149  0.100  0.083      93.702      4.279  0  0
   2289 {?}    7.359  0.039  0.056 {?}  117.680  0.514  0.713 {?}    7.774  0.073  0.109     265.159      8.176  0  0
   2290 {75.H}    7.361  0.034  0.031 {75.N}  117.665  0.868  0.813 {75.H}    7.372  0.068  0.065   28435.100      4.853  0  0
   2291 {?}    8.994  0.031  0.034 {?}  117.622  0.626  0.684 {?}    7.221  0.048  0.053      15.809      5.749  0  0
   2292 {75.H}    7.361  0.033  0.098 {75.N}  117.703  0.524  1.295 {76.H}    7.053  0.084  0.210    1825.410     46.930  0  0
   2293 {140.H}    8.990  0.037  0.134 {140.N}  117.720  0.541  1.514 {128.H}    6.937  0.069  0.214     117.292    119.691  0  0
   2294 {?}    7.362  0.027  0.031 {?}  117.702  0.782  0.899 {?}    6.554  0.052  0.061     223.508      6.305  0  0
   2295 {75.H}    7.360  0.034  0.129 {75.N}  117.703  0.698  1.674 {74.H}    6.270  0.085  0.153     935.592     58.580  0  0
   2296 {140.H}    8.993  0.029  0.049 {140.N}  117.691  0.705  1.034 {128.HD22}    5.802  0.096  0.137     529.879     11.033  0  0
   2297 {?}    8.992  0.041  0.031 {?}  117.717  0.487  0.305 {?}    5.372  0.079  0.052    1637.856      3.792  0  0
   2298 {?}    8.993  0.033  0.089 {?}  117.694  0.680  1.248 {?}    5.260  0.082  0.117    1350.166     28.603  0  0
   2299 {?}    8.992  0.028  0.032 {?}  117.729  0.653  0.728 {?}    5.143  0.093  0.239     616.768      6.001  0  0
   2300 {?}    8.994  0.045  0.011 {?}  117.716  0.653  0.132 {?}    5.008  0.133  0.040     539.029      2.901  0  0
   2301 {?}    7.345  0.028  0.012 {?}  117.736  0.761  0.263 {?}    4.920  0.102  0.035     111.321      3.151  0  0
   2302 {?}    8.994  0.030  0.056 {?}  117.676  0.646  1.077 {?}    4.871  0.093  0.175     404.565     14.308  0  0
   2303 {140.H}    8.991  0.033  0.053 {140.N}  117.676  0.552  1.049 {140.HA}    4.771  0.067  0.117     731.308     13.320  0  0
   2304 {?}    7.358  0.033  0.048 {?}  117.648  0.496  0.710 {?}    4.746  0.098  0.146     170.862      8.891  0  0
   2305 {?}    7.363  0.040  0.016 {?}  117.698  0.737  0.322 {?}    4.568  0.098  0.111     260.176      3.332  0  0
   2306 {39.H}    7.575  0.032  0.019 {39.N}  117.710  0.759  0.413 {38.HA}    4.411  0.160  0.099     121.269      3.501  0  0
   2307 {?}    8.992  0.027  0.019 {?}  117.667  0.605  0.397 {?}    4.369  0.067  0.094     367.693      3.881  0  0
   2308 {75.H}    7.362  0.051  0.043 {75.N}  117.655  0.758  0.676 {73.HA}    4.331  0.149  0.244     379.471      4.634  0  0
   2309 {?}    8.991  0.014  0.008 {?}  117.743  0.680  0.370 {?}    4.210  0.173  0.098     209.170      3.581  0  0
   2310 {75.H}    7.361  0.028  0.050 {75.N}  117.682  0.640  0.944 {75.HA}    3.826  0.076  0.114    1337.193      9.105  0  0
   2311 {?}    8.993  0.028  0.006 {?}  117.735  0.750  0.062 {?}    3.720  0.078  0.065     135.271      2.712  0  0
   2312 {140.H}    8.994  0.034  0.064 {140.N}  117.647  0.648  1.088 {126.HD2}    3.289  0.053  0.153      72.856     13.393  0  0
   2313 {75.H}    7.361  0.030  0.033 {75.N}  117.694  0.834  0.900 {74.HB2}    3.053  0.105  0.151     983.334      5.833  0  0
   2314 {75.H}    7.359  0.039  0.041 {75.N}  117.711  0.778  0.816 {74.HB3}    2.828  0.134  0.192     679.418      5.518  0  0
   2315 {?}    8.992  0.024  0.017 {?}  117.708  0.775  0.493 {?}    2.568  0.116  0.147     235.497      3.814  0  0
   2316 {?}    7.368  0.028  0.026 {?}  117.685  0.889  0.849 {?}    2.444  0.134  0.192      38.902      4.931  0  0
   2317 {?}    8.994  0.027  0.033 {?}  117.697  0.721  0.913 {?}    2.249  0.112  0.253     866.361      6.829  0  0
   2318 {?}    7.361  0.030  0.025 {?}  117.695  0.733  0.621 {?}    2.072  0.105  0.151    2801.909      4.490  0  0
   2319 {?}    8.992  0.029  0.052 {?}  117.721  0.783  1.142 {?}    2.027  0.075  0.103    2411.746     10.782  0  0
   2320 {?}    7.360  0.034  0.068 {?}  117.690  0.554  1.093 {?}    1.855  0.153  0.200     287.793     14.488  0  0
   2321 {140.H}    8.992  0.035  0.055 {140.N}  117.689  0.732  0.978 {126.HG2}    1.749  0.073  0.102     935.576      8.562  0  0
   2322 {140.H}    8.992  0.034  0.039 {140.N}  117.710  0.666  0.874 {139.HB1}    1.352  0.103  0.163    3183.218      7.108  0  0
   2323 {?}    8.992  0.034  0.063 {?}  117.743  0.580  1.166 {?}    1.152  0.072  0.115     227.783     16.841  0  0
   2324 {140.H 140.H}    8.992  0.031  0.037 {140.N 140.N}  117.703  0.539  0.628 {127.HG21 140.HG23}    0.935  0.096  0.108    3537.364      6.236  0  0
   2325 {?}    7.361  0.026  0.017 {?}  117.679  0.531  0.268 {?}    0.902  0.086  0.042    4951.131      3.484  0  0
   2326 {?}    8.992  0.035  0.083 {?}  117.708  0.638  1.244 {?}    0.763  0.144  0.235    1296.035     22.666  0  0
   2327 {?}    7.360  0.034  0.073 {?}  117.694  0.675  1.152 {?}    0.598  0.100  0.187    3292.511     19.070  0  0
   2328 {8.H}    7.964  0.037  0.043 {8.N}  117.260  0.628  0.765 {11.H}    8.844  0.112  0.131     152.827      6.356  0  0
   2329 {8.H}    7.963  0.032  0.077 {8.N}  117.227  0.669  1.151 {8.H}    7.961  0.140  0.211    9084.915     19.122  0  0
   2330 {?}    7.966  0.035  0.099 {?}  117.227  0.681  1.195 {?}    7.613  0.110  0.211     397.473     25.127  0  0
   2331 {8.H}    7.964  0.036  0.108 {8.N}  117.211  0.532  1.305 {6.H}    7.417  0.119  0.170    1027.097     52.187  0  0
   2332 {?}    7.963  0.036  0.057 {?}  117.212  0.673  1.089 {?}    7.076  0.103  0.157     625.721     10.526  0  0
   2333 {8.H}    7.964  0.035  0.085 {8.N}  117.220  0.534  1.209 {8.HD1}    6.699  0.143  0.227    1317.283     27.311  0  0
   2334 {?}    7.457  0.043  0.011 {?}  117.157  0.705  0.201 {?}    6.701  0.078  0.024     217.734      3.037  0  0
   2335 {?}    7.963  0.035  0.034 {?}  117.220  0.771  0.755 {?}    6.520  0.075  0.074     894.572      5.089  0  0
   2336 {?}    7.963  0.036  0.072 {?}  117.257  0.665  1.120 {?}    6.205  0.082  0.143     958.206     16.415  0  0
   2337 {?}    7.968  0.043  0.050 {?}  117.211  0.695  0.863 {?}    5.933  0.064  0.081     504.633      6.484  0  0
   2338 {?}    7.963  0.028  0.059 {?}  117.237  0.946  0.937 {?}    5.690  0.106  0.105     159.651      5.167  0  0
   2339 {?}    7.457  0.038  0.062 {?}  117.182  0.550  1.094 {?}    5.651  0.162  0.270     118.347     14.297  0  0
   2340 {?}    7.460  0.035  0.054 {?}  117.150  0.507  0.697 {?}    5.464  0.096  0.137     210.031      8.227  0  0
   2341 {?}    7.962  0.033  0.050 {?}  117.209  0.693  1.036 {?}    5.447  0.095  0.145     561.072     10.899  0  0
   2342 {?}    7.968  0.037  0.124 {?}  117.158  0.529  1.349 {?}    5.314  0.072  0.103     173.251     95.083  0  0
   2343 {?}    7.968  0.035  0.068 {?}  117.208  0.710  1.053 {?}    4.942  0.094  0.140     399.710     11.033  0  0
   2344 {124.H}    7.461  0.033  0.059 {124.N}  117.141  0.683  1.011 {123.HA}    4.751  0.067  0.106     483.187     11.256  0  0
   2345 {?}    7.967  0.030  0.062 {?}  117.229  0.721  1.112 {?}    4.655  0.081  0.136     884.902     13.622  0  0
   2346 {?}    8.238  0.031  0.040 {?}  117.190  0.502  0.675 {?}    4.438  0.058  0.079     584.781      7.977  0  0
   2347 {8.H}    7.963  0.033  0.088 {8.N}  117.244  0.693  1.372 {6.HA}    4.414  0.074  0.173     230.156     34.091  0  0
   2348 {8.H}    7.964  0.033  0.149 {8.N}  117.229  0.703  1.716 {8.HA}    4.007  0.082  0.150    1606.179    136.853  0  0
   2349 {?}    7.964  0.033  0.149 {?}  117.228  0.703  1.716 {?}    3.533  0.082  0.150    1383.356    136.853  0  0
   2350 {8.H}    7.964  0.034  0.056 {8.N}  117.219  0.586  1.137 {8.HB2}    3.274  0.085  0.147    3558.932     14.605  0  0
   2351 {8.H}    7.963  0.035  0.163 {8.N}  117.228  0.747  2.055 {8.HB3}    2.994  0.103  0.204    1959.946    130.834  0  0
   2352 {?}    7.460  0.034  0.108 {?}  117.177  0.706  1.552 {?}    2.300  0.105  0.151     179.771     62.160  0  0
   2353 {8.H}    7.963  0.028  0.028 {8.N}  117.229  0.619  0.617 {4.HB3}    1.945  0.095  0.095     249.896      5.190  0  0
   2354 {?}    7.963  0.040  0.133 {?}  117.223  0.832  1.590 {?}    1.622  0.082  0.174    2391.294    134.939  0  0
   2355 {?}    7.963  0.040  0.133 {?}  117.215  0.832  1.590 {?}    1.345  0.082  0.174     625.580    134.939  0  0
   2356 {8.H}    7.964  0.056  0.175 {8.N}  117.207  0.581  1.650 {4.HG2}    1.068  0.094  0.158     371.849    142.003  0  0
   2357 {8.H}    7.963  0.056  0.175 {8.N}  117.227  0.581  1.650 {7.HB3}    0.823  0.094  0.158    1107.609    142.003  0  0
   2358 {?}    7.962  0.025  0.058 {?}  117.215  0.532  1.349 {?}    0.533  0.054  0.109     362.131     41.342  0  0
   2359 {?}    7.963  0.022  0.018 {?}  117.228  0.766  0.582 {?}    0.241  0.048  0.087    1841.934      4.239  0  0
   2360 {?}    7.964  0.035  0.086 {?}  117.198  0.768  1.955 {?}   -0.055  0.082  0.185     383.067     42.994  0  0
   2361 {?}    7.460  0.036  0.121 {?}  117.060  0.581  1.354 {?}    9.135  0.093  0.133      78.369     44.821  0  0
   2362 {109.H}    8.236  0.036  0.082 {109.N}  116.946  0.583  1.268 {110.H}    8.844  0.103  0.271    1451.366     23.403  0  0
   2363 {?}    7.461  0.037  0.088 {?}  117.102  0.673  1.359 {?}    8.555  0.150  0.214    1265.111     38.296  0  0
   2364 {?}    8.236  0.025  0.023 {?}  116.900  0.961  0.903 {?}    7.883  0.119  0.110    1404.895      4.787  0  0
   2365 {124.H}    7.461  0.031  0.021 {124.N}  117.092  0.838  0.555 {124.H}    7.465  0.180  0.108   22073.477      3.824  0  0
   2366 {74.H 74.H 74.H}    6.273  0.026  0.037 {74.N 74.N 74.N}  116.948  0.851  1.040 {72.H 75.H 77.H}    7.368  0.105  0.151      75.923      7.183  0  0
   2367 {?}    7.462  0.014  0.041 {?}  117.055  0.632  0.827 {?}    7.222  0.190  0.271    1016.101      7.168  0  0
   2368 {?}    7.460  0.031  0.035 {?}  117.088  0.825  0.868 {?}    6.978  0.140  0.146     312.389      5.569  0  0
   2369 {?}    7.460  0.038  0.024 {?}  117.069  0.573  0.314 {?}    6.872  0.072  0.103     129.637      3.591  0  0
   2370 {?}    7.458  0.038  0.046 {?}  117.035  0.725  0.897 {?}    6.599  0.103  0.130     158.234      7.052  0  0
   2371 {?}    7.457  0.026  0.037 {?}  116.869  0.671  0.842 {?}    6.449  0.069  0.180      74.330      6.807  0  0
   2372 {?}    7.455  0.015  0.042 {?}  116.962  0.553  0.721 {?}    6.305  0.068  0.181      29.372      7.240  0  0
   2373 {74.H}    6.278  0.034  0.064 {74.N}  116.968  0.613  1.235 {74.H}    6.272  0.099  0.156     499.179     14.729  0  0
   2374 {124.H}    7.462  0.039  0.059 {124.N}  117.083  0.682  1.200 {142.HE21}    6.138  0.141  0.239     772.662     12.780  0  0
   2375 {?}    7.458  0.046  0.049 {?}  117.072  0.533  0.588 {?}    5.311  0.147  0.211     222.554      5.810  0  0
   2376 {?}    7.466  0.042  0.054 {?}  117.013  0.719  0.956 {?}    5.166  0.170  0.271     282.206      7.844  0  0
   2377 {?}    7.460  0.045  0.050 {?}  117.050  0.731  0.852 {?}    5.087  0.232  0.331     105.948      6.182  0  0
   2378 {124.H}    7.461  0.029  0.018 {124.N}  117.068  0.955  0.492 {122.HA}    4.306  0.230  0.328    1618.792      3.492  0  0
   2379 {109.H}    8.235  0.014  0.027 {109.N}  116.959  1.210  1.080 {109.HB}    3.891  0.190  0.271    1935.061      4.457  0  0
   2380 {124.H}    7.461  0.016  0.022 {124.N}  117.082  0.873  0.586 {124.HB2}    3.667  0.190  0.271    1399.535      3.737  0  0
   2381 {?}    7.460  0.024  0.005 {?}  117.013  0.935  0.144 {?}    3.112  0.079  0.068      68.008      2.810  0  0
   2382 {74.H}    6.268  0.026  0.021 {74.N}  116.942  1.099  0.871 {74.HB2}    3.057  0.105  0.151     203.218      4.115  0  0
   2383 {124.H}    7.461  0.034  0.028 {124.N}  117.084  0.986  0.775 {123.HB2}    2.948  0.131  0.102     842.788      4.091  0  0
   2384 {74.H 74.H}    6.277  0.014  0.024 {74.N 74.N}  116.984  0.851  0.729 {73.HB3 74.HB3}    2.839  0.232  0.331     160.840      4.256  0  0
   2385 {109.H}    8.236  0.035  0.030 {109.N}  116.956  0.813  0.638 {108.HB2}    2.830  0.147  0.211     534.245      4.263  0  0
   2386 {?}    7.462  0.031  0.027 {?}  117.110  0.624  0.540 {?}    2.493  0.142  0.272     871.710      4.596  0  0
   2387 {124.H}    7.461  0.034  0.034 {124.N}  117.068  0.718  0.711 {142.HB2}    2.116  0.147  0.211      61.348      5.165  0  0
   2388 {?}    7.461  0.032  0.028 {?}  117.106  0.679  0.551 {?}    1.577  0.058  0.114    1119.835      4.358  0  0
   2389 {?}    7.461  0.038  0.038 {?}  117.104  0.705  0.715 {?}    1.462  0.134  0.192    1343.838      5.294  0  0
   2390 {109.H}    8.235  0.029  0.025 {109.N}  116.953  0.644  0.552 {109.HG21}    1.256  0.147  0.211    5100.400      4.563  0  0
   2391 {?}    7.461  0.037  0.032 {?}  117.089  0.549  0.480 {?}    0.908  0.147  0.211    2036.639      4.631  0  0
   2392 {74.H 74.H}    6.280  0.035  0.040 {74.N 74.N}  116.943  0.694  0.986 {75.HG21 75.HG22}    0.913  0.118  0.168      28.016      6.194  0  0
   2393 {?}    7.461  0.012  0.031 {?}  117.090  0.556  0.667 {?}    0.796  0.147  0.211    2362.017      6.520  0  0
   2394 {?}    7.071  0.038  0.053 {?}  116.651  0.757  1.203 {?}    9.681  0.147  0.211     153.460     10.518  0  0
   2395 {53.H 70.H 73.H 109.H 149.H}    8.234  0.039  0.059 {53.N 70.N 73.N 109.N 149.N}  116.677  0.729  1.015 {53.H 70.H 73.H 109.H 149.H}    8.242  0.135  0.266   19602.211      8.882  0  0
   2396 {88.H}    6.951  0.028  0.050 {88.N}  116.528  0.693  1.122 {89.H}    7.819  0.038  0.111    1365.414     12.832  0  0
   2397 {133.H}    7.071  0.040  0.044 {133.N}  116.603  0.803  0.937 {132.H}    7.682  0.040  0.048    2389.621      6.476  0  0
   2398 {?}    6.950  0.036  0.084 {?}  116.635  0.508  1.100 {?}    7.553  0.132  0.192     147.036     30.128  0  0
   2399 {?}    8.239  0.034  0.056 {?}  116.636  0.578  0.877 {?}    7.316  0.094  0.137    3401.448      8.518  0  0
   2400 {133.H 152.H}    7.072  0.033  0.075 {133.N 152.N}  116.582  0.574  1.237 {133.H 152.H}    7.078  0.065  0.126   16222.990     29.136  0  0
   2401 {88.H}    6.951  0.036  0.041 {88.N}  116.560  0.731  0.911 {88.H}    6.946  0.051  0.127    3160.705      6.743  0  0
   2402 {?}    8.234  0.060  0.130 {?}  116.505  0.564  1.285 {?}    6.733  0.108  0.182     281.824     31.820  0  0
   2403 {?}    6.951  0.032  0.047 {?}  116.570  0.543  0.877 {?}    6.704  0.083  0.136     209.698     10.091  0  0
   2404 {?}    7.070  0.031  0.065 {?}  116.555  0.744  1.321 {?}    6.178  0.088  0.180     226.198     21.045  0  0
   2405 {?}    7.071  0.040  0.111 {?}  116.553  0.692  1.653 {?}    5.429  0.118  0.211     255.843     54.088  0  0
   2406 {?}    7.072  0.032  0.045 {?}  116.609  0.649  0.858 {?}    5.311  0.110  0.133     757.294      7.550  0  0
   2407 {?}    7.073  0.036  0.100 {?}  116.558  0.684  1.537 {?}    5.167  0.094  0.177     651.945     44.360  0  0
   2408 {?}    8.235  0.035  0.063 {?}  116.735  0.796  1.157 {?}    4.986  0.095  0.134    1133.049     11.192  0  0
   2409 {?}    7.070  0.034  0.079 {?}  116.528  0.545  1.142 {?}    4.877  0.083  0.152     446.432     22.733  0  0
   2410 {?}    8.235  0.033  0.041 {?}  116.596  0.753  0.899 {?}    4.659  0.105  0.151    1933.087      6.568  0  0
   2411 {?}    8.235  0.033  0.078 {?}  116.612  0.553  1.157 {?}    4.551  0.073  0.161    1710.015     20.960  0  0
   2412 {88.H}    6.949  0.034  0.047 {88.N}  116.503  0.910  1.331 {87.HA}    4.290  0.098  0.130     323.330      7.789  0  0
   2413 {?}    7.072  0.034  0.096 {?}  116.598  0.714  1.459 {?}    3.745  0.099  0.163    1210.036     39.197  0  0
   2414 {133.H}    7.071  0.028  0.026 {133.N}  116.609  0.576  0.499 {132.HA}    3.538  0.124  0.105    2857.781      4.603  0  0
   2415 {?}    6.949  0.035  0.114 {?}  116.543  0.748  1.658 {?}    3.520  0.136  0.216     291.205     52.459  0  0
   2416 {133.H 133.H}    7.071  0.027  0.039 {133.N 133.N}  116.615  0.578  0.823 {103.HB2 134.HA}    3.336  0.190  0.271     561.857      7.991  0  0
   2417 {?}    6.957  0.034  0.089 {?}  116.581  0.646  1.671 {?}    3.332  0.090  0.128      31.963     35.627  0  0
   2418 {?}    7.071  0.034  0.080 {?}  116.647  0.784  1.329 {?}    3.114  0.121  0.301     282.544     19.780  0  0
   2419 {?}    7.070  0.031  0.029 {?}  116.573  0.576  0.529 {?}    2.972  0.061  0.125     345.973      4.823  0  0
   2420 {88.H}    6.950  0.041  0.129 {88.N}  116.568  0.675  1.740 {88.HG2}    2.826  0.075  0.154    2474.937     81.186  0  0
   2421 {?}    7.071  0.029  0.027 {?}  116.622  0.558  0.508 {?}    2.743  0.054  0.049    1351.063      4.785  0  0
   2422 {?}    7.071  0.037  0.053 {?}  116.596  0.671  0.961 {?}    2.480  0.043  0.139     487.043      9.054  0  0
   2423 {?}    8.234  0.030  0.057 {?}  116.761  0.665  1.317 {?}    2.450  0.123  0.328    1899.457     16.866  0  0
   2424 {?}    6.951  0.034  0.081 {?}  116.547  0.779  1.378 {?}    2.458  0.078  0.150    1134.427     20.408  0  0
   2425 {133.H 133.H}    7.071  0.047  0.053 {133.N 133.N}  116.591  0.720  0.853 {131.HB2 132.HB2}    2.241  0.052  0.126    2328.012      6.082  0  0
   2426 {?}    6.951  0.030  0.045 {?}  116.541  0.620  0.975 {?}    2.223  0.152  0.301    6069.285      8.281  0  0
   2427 {?}    7.071  0.034  0.114 {?}  116.586  0.595  0.850 {?}    1.993  0.080  0.318    2701.524     70.482  0  0
   2428 {?}    6.950  0.034  0.114 {?}  116.579  0.595  0.850 {?}    1.971  0.080  0.318     877.906     70.482  0  0
   2429 {133.H}    7.071  0.033  0.103 {133.N}  116.604  0.567  1.258 {133.HB3}    1.748  0.101  0.160    5910.795     31.968  0  0
   2430 {?}    6.949  0.026  0.024 {?}  116.613  0.699  0.655 {?}    1.700  0.069  0.065      78.542      4.912  0  0
   2431 {133.H 152.H}    7.072  0.034  0.085 {133.N 152.N}  116.568  0.595  1.218 {133.HD2 152.HB3}    1.427  0.076  0.159    4238.930     22.929  0  0
   2432 {?}    6.951  0.035  0.127 {?}  116.515  0.567  1.336 {?}    1.425  0.122  0.245     296.941     44.562  0  0
   2433 {?}    6.949  0.033  0.085 {?}  116.551  0.570  1.308 {?}    1.146  0.080  0.175     111.284     36.426  0  0
   2434 {133.H}    7.070  0.029  0.045 {133.N}  116.632  0.576  0.851 {132.HG}    1.131  0.077  0.099     579.355      8.318  0  0
   2435 {88.H}    6.949  0.023  0.013 {88.N}  116.545  0.913  0.441 {56.HD12}    1.020  0.093  0.044     131.056      3.332  0  0
   2436 {?}    6.949  0.029  0.057 {?}  116.542  0.533  1.099 {?}    0.787  0.060  0.109     282.572     16.909  0  0
   2437 {?}    7.071  0.029  0.069 {?}  116.584  0.526  1.321 {?}    0.578  0.073  0.105    1264.292     45.631  0  0
   2438 {?}    7.072  0.034  0.060 {?}  116.560  0.566  1.070 {?}    0.211  0.105  0.151      33.908     13.981  0  0
   2439 {53.H}    8.234  0.029  0.098 {53.N}  116.361  0.539  2.321 {51.H}    9.111  0.073  0.105     154.724    156.093  0  0
   2440 {149.H}    8.249  0.021  0.004 {149.N}  116.326  0.810  0.155 {148.H}    8.681  0.057  0.042    1244.553      2.870  0  0
   2441 {70.H}    8.249  0.028  0.022 {70.N}  116.278  0.851  0.641 {69.H}    8.496  0.147  0.211     251.640      4.188  0  0
   2442 {53.H}    8.233  0.032  0.020 {53.N}  116.485  0.717  0.414 {52.H}    7.689  0.147  0.211    1676.278      3.658  0  0
   2443 {?}    6.950  0.033  0.034 {?}  116.475  0.540  0.569 {?}    7.156  0.055  0.124    1221.918      5.508  0  0
   2444 {70.H}    8.228  0.029  0.025 {70.N}  116.249  0.743  0.582 {71.H}    7.082  0.190  0.271    2873.540      4.330  0  0
   2445 {?}    8.246  0.032  0.024 {?}  116.372  0.648  0.500 {?}    6.520  0.105  0.151     680.903      4.246  0  0
   2446 {73.H}    8.242  0.028  0.028 {73.N}  116.408  0.852  0.829 {74.H}    6.255  0.147  0.211     700.505      5.045  0  0
   2447 {?}    6.951  0.033  0.038 {?}  116.479  0.586  0.681 {?}    6.177  0.147  0.211      38.674      6.221  0  0
   2448 {?}    7.076  0.030  0.037 {?}  116.468  0.527  0.628 {?}    6.029  0.075  0.186     545.602      6.449  0  0
   2449 {?}    8.238  0.030  0.059 {?}  116.464  0.524  1.106 {?}    5.884  0.105  0.198     160.250     19.578  0  0
   2450 {?}    7.088  0.031  0.034 {?}  116.210  0.577  0.637 {?}    5.894  0.095  0.105     268.465      5.816  0  0
   2451 {?}    8.247  0.035  0.021 {?}  116.300  0.743  0.368 {?}    5.736  0.078  0.095     258.187      3.470  0  0
   2452 {?}    7.088  0.029  0.029 {?}  116.278  0.523  0.541 {?}    5.726  0.079  0.192     297.086      5.401  0  0
   2453 {?}    8.236  0.028  0.076 {?}  116.430  0.549  1.370 {?}    5.470  0.110  0.220     626.047     54.011  0  0
   2454 {?}    7.078  0.028  0.060 {?}  116.452  0.567  1.209 {?}    4.635  0.102  0.146     820.862     17.214  0  0
   2455 {?}    7.085  0.031  0.074 {?}  116.256  0.547  1.652 {?}    4.517  0.088  0.205     927.338     48.477  0  0
   2456 {70.H}    8.231  0.022  0.018 {70.N}  116.287  0.577  0.429 {70.HA}    4.264  0.126  0.104    1157.126      4.151  0  0
   2457 {?}    8.251  0.032  0.050 {?}  116.299  0.537  0.929 {?}    3.609  0.207  0.289     479.229     11.010  0  0
   2458 {?}    8.234  0.033  0.051 {?}  116.383  0.540  1.031 {?}    3.422  0.078  0.149    1494.440     13.563  0  0
   2459 {149.H}    8.250  0.039  0.037 {149.N}  116.270  0.646  0.616 {148.HB3}    3.298  0.096  0.137    1289.826      4.977  0  0
   2460 {?}    6.948  0.029  0.069 {?}  116.478  0.543  1.307 {?}    3.180  0.045  0.140     170.999     36.560  0  0
   2461 {53.H}    8.232  0.028  0.065 {53.N}  116.450  0.544  1.313 {51.HB2}    3.016  0.105  0.151    1311.275     31.001  0  0
   2462 {?}    8.247  0.028  0.009 {?}  116.345  0.764  0.223 {?}    2.268  0.062  0.075    3958.959      3.058  0  0
   2463 {?}    8.230  0.035  0.041 {?}  116.320  0.603  0.732 {?}    2.092  0.072  0.083   14226.500      6.388  0  0
   2464 {?}    8.127  0.028  0.015 {?}  116.252  0.846  0.369 {?}    2.059  0.075  0.040     456.519      3.286  0  0
   2465 {?}    8.136  0.029  0.049 {?}  116.324  0.703  1.073 {?}    1.767  0.109  0.356     150.001     11.435  0  0
   2466 {70.H}    8.231  0.029  0.049 {70.N}  116.327  0.703  1.073 {69.HB2}    1.754  0.109  0.356    6463.560     11.435  0  0
   2467 {?}    8.128  0.034  0.088 {?}  116.374  0.713  1.330 {?}    1.511  0.098  0.140     313.820     38.788  0  0
   2468 {?}    8.232  0.034  0.113 {?}  116.401  0.660  0.942 {?}    1.475  0.089  0.166    8513.559    217.346  0  0
   2469 {149.H 149.H}    8.251  0.034  0.113 {149.N 149.N}  116.301  0.660  0.942 {149.HD11 149.HD12}    1.005  0.089  0.166    2651.847    217.346  0  0
   2470 {149.H}    8.251  0.053  0.076 {149.N}  116.300  0.800  0.705 {149.HD23}    0.553  0.068  0.059    1678.095      4.598  0  0
   2471 {?}    8.256  0.023  0.043 {?}  116.271  0.720  0.620 {?}    0.214  0.075  0.064      62.465      4.587  0  0
   2472 {165.H}    7.597  0.024  0.037 {165.N}  115.992  0.620  0.919 {161.H}    9.248  0.105  0.151      58.767      9.885  0  0
   2473 {165.H}    7.603  0.027  0.027 {165.N}  115.976  0.850  0.837 {160.H}    8.700  0.051  0.110    1167.908      5.112  0  0
   2474 {165.H}    7.601  0.019  0.009 {165.N}  115.958  0.431  0.203 {162.H}    8.348  0.074  0.036      95.911      3.411  0  0
   2475 {152.H}    7.092  0.026  0.051 {152.N}  116.106  0.573  1.166 {150.H}    8.303  0.094  0.165     228.562     17.394  0  0
   2476 {152.H}    7.094  0.036  0.052 {152.N}  116.086  0.673  0.936 {151.H}    8.119  0.105  0.151    1313.547      8.598  0  0
   2477 {152.H}    7.094  0.024  0.008 {152.N}  116.095  0.808  0.194 {154.H}    7.990  0.132  0.034     804.715      2.957  0  0
   2478 {165.H}    7.603  0.021  0.017 {165.N}  115.981  0.836  0.704 {164.H}    7.926  0.190  0.271    1933.517      4.252  0  0
   2479 {152.H}    7.094  0.033  0.023 {152.N}  116.097  0.715  0.481 {153.H}    7.872  0.147  0.211    2845.025      3.863  0  0
   2480 {165.H}    7.603  0.031  0.020 {165.N}  115.979  0.957  0.565 {165.H}    7.605  0.134  0.192    8506.159      3.646  0  0
   2481 {?}    7.392  0.036  0.035 {?}  115.904  0.627  0.586 {?}    7.603  0.086  0.172      58.644      4.891  0  0
   2482 {?}    7.094  0.035  0.028 {?}  116.092  0.910  0.772 {?}    7.273  0.128  0.219    1054.475      4.206  0  0
   2483 {?}    7.605  0.023  0.019 {?}  116.012  0.750  0.565 {?}    7.228  0.136  0.109     306.047      4.157  0  0
   2484 {?}    7.601  0.035  0.050 {?}  115.946  0.616  0.936 {?}    7.053  0.105  0.151     399.600      8.848  0  0
   2485 {?}    7.602  0.038  0.045 {?}  115.947  0.679  0.903 {?}    6.922  0.105  0.151     301.378      7.198  0  0
   2486 {?}    7.603  0.034  0.043 {?}  115.972  0.614  0.771 {?}    6.569  0.105  0.151     275.914      6.767  0  0
   2487 {?}    7.094  0.032  0.038 {?}  116.106  0.742  0.869 {?}    6.579  0.134  0.192    1143.379      6.676  0  0
   2488 {?}    7.604  0.025  0.021 {?}  116.022  0.872  0.784 {?}    6.391  0.134  0.192     174.338      4.551  0  0
   2489 {?}    7.096  0.031  0.052 {?}  116.086  0.689  1.053 {?}    6.331  0.120  0.142     445.010     11.369  0  0
   2490 {?}    7.599  0.030  0.078 {?}  116.023  0.711  1.382 {?}    6.126  0.100  0.185     233.876     37.122  0  0
   2491 {?}    7.603  0.029  0.063 {?}  116.034  0.557  1.281 {?}    5.901  0.084  0.174     172.041     30.073  0  0
   2492 {?}    7.601  0.032  0.057 {?}  116.001  0.668  1.095 {?}    5.666  0.105  0.151     225.201     14.482  0  0
   2493 {?}    7.598  0.034  0.068 {?}  116.047  0.709  1.195 {?}    5.520  0.147  0.211      84.588     19.103  0  0
   2494 {?}    7.601  0.028  0.059 {?}  115.970  0.553  1.196 {?}    5.284  0.159  0.279     115.027     22.694  0  0
   2495 {?}    7.095  0.027  0.039 {?}  116.133  0.817  0.991 {?}    4.913  0.062  0.171     421.041      7.041  0  0
   2496 {?}    7.601  0.031  0.102 {?}  115.935  0.719  1.696 {?}    4.666  0.137  0.195     192.420     84.382  0  0
   2497 {?}    7.604  0.031  0.095 {?}  115.997  0.713  1.651 {?}    4.296  0.105  0.151     788.749     74.243  0  0
   2498 {152.H}    7.094  0.018  0.043 {152.N}  116.079  0.822  0.936 {152.HA}    4.289  0.076  0.088     840.329      6.234  0  0
   2499 {165.H 165.H 165.H}    7.603  0.031  0.089 {165.N 165.N 165.N}  115.979  0.716  1.366 {161.HA 163.HA 166.HA}    4.159  0.105  0.151     513.044     39.600  0  0
   2500 {152.H}    7.094  0.032  0.071 {152.N}  116.081  0.710  1.208 {151.HA}    4.021  0.080  0.127     552.550     24.644  0  0
   2501 {165.H}    7.603  0.032  0.071 {165.N}  115.976  0.710  1.208 {164.HA}    3.880  0.080  0.127    2309.604     24.644  0  0
   2502 {165.H}    7.603  0.029  0.050 {165.N}  115.968  0.775  1.172 {160.HB2}    2.973  0.114  0.157     909.281     13.085  0  0
   2503 {?}    7.602  0.025  0.015 {?}  115.986  0.783  0.424 {?}    2.550  0.047  0.080     962.517      3.643  0  0
   2504 {?}    7.603  0.025  0.015 {?}  115.977  0.783  0.424 {?}    2.341  0.047  0.080    1533.696      3.643  0  0
   2505 {?}    7.603  0.031  0.075 {?}  115.988  0.748  1.322 {?}    2.110  0.118  0.176    2357.233     24.136  0  0
   2506 {?}    7.603  0.031  0.053 {?}  115.987  0.573  1.120 {?}    1.912  0.098  0.140    2301.681     16.037  0  0
   2507 {165.H}    7.602  0.031  0.053 {165.N}  115.979  0.573  1.120 {165.HB3}    1.636  0.098  0.140    1580.784     16.037  0  0
   2508 {152.H}    7.094  0.032  0.032 {152.N}  116.097  0.739  0.757 {152.HB2}    1.537  0.068  0.069    3584.461      5.358  0  0
   2509 {152.H}    7.093  0.032  0.032 {152.N}  116.113  0.739  0.757 {152.HG}    1.259  0.068  0.069    2303.341      5.358  0  0
   2510 {165.H}    7.603  0.038  0.137 {165.N}  115.975  0.697  1.658 {163.HB2}    1.222  0.084  0.227    1329.285     79.443  0  0
   2511 {?}    7.603  0.038  0.137 {?}  115.983  0.697  1.658 {?}    0.921  0.084  0.227    1685.131     79.443  0  0
   2512 {?}    7.093  0.037  0.112 {?}  116.108  0.695  1.473 {?}    0.853  0.067  0.178    4074.299     46.307  0  0
   2513 {?}    7.603  0.031  0.065 {?}  115.971  0.667  1.301 {?}    0.601  0.078  0.147     811.743     22.997  0  0
   2514 {152.H 152.H}    7.093  0.038  0.059 {152.N 152.N}  116.081  0.695  1.064 {152.HD22 152.HD23}    0.388  0.063  0.111    1562.123     12.960  0  0
   2515 {?}    7.094  0.030  0.026 {?}  116.082  0.606  0.497 {?}   -0.160  0.086  0.064    1127.081      4.423  0  0
   2516 {165.H}    7.603  0.028  0.038 {165.N}  115.974  0.788  1.014 {159.HG13}   -0.401  0.081  0.099     977.763      7.764  0  0
   2517 {101.H}    6.051  0.033  0.030 {101.N}  115.632  0.831  0.797 {47.H}    9.692  0.084  0.080      18.788      4.956  0  0
   2518 {?}    7.995  0.025  0.021 {?}  115.610  0.841  0.704 {?}    7.993  0.081  0.070     335.489      4.325  0  0
   2519 {101.H}    6.050  0.038  0.097 {101.N}  115.678  0.708  1.752 {100.H}    8.001  0.084  0.123     451.385     78.958  0  0
   2520 {101.H}    6.050  0.034  0.029 {101.N}  115.690  0.684  0.487 {104.H}    7.800  0.073  0.052     291.106      4.049  0  0
   2521 {?}    6.052  0.037  0.097 {?}  115.649  0.703  1.846 {?}    7.696  0.078  0.111     371.164     56.035  0  0
   2522 {?}    6.048  0.037  0.097 {?}  115.670  0.703  1.846 {?}    7.529  0.078  0.111     721.823     56.035  0  0
   2523 {?}    7.398  0.028  0.018 {?}  115.814  0.743  0.415 {?}    7.409  0.105  0.151    1001.959      3.661  0  0
   2524 {?}    6.050  0.027  0.046 {?}  115.627  0.733  1.024 {?}    7.083  0.094  0.136     259.346      9.677  0  0
   2525 {?}    6.048  0.030  0.021 {?}  115.681  0.492  0.313 {?}    6.536  0.057  0.036     167.875      3.821  0  0
   2526 {101.H}    6.050  0.037  0.041 {101.N}  115.678  0.619  0.698 {101.H}    6.060  0.144  0.206    4005.273      6.007  0  0
   2527 {101.H}    6.050  0.032  0.119 {101.N}  115.677  0.700  2.406 {102.H}    5.914  0.077  0.211     693.795     84.617  0  0
   2528 {?}    6.049  0.016  0.021 {?}  115.682  0.704  0.271 {?}    5.312  0.064  0.024      93.749      3.196  0  0
   2529 {?}    6.050  0.026  0.084 {?}  115.689  0.686  1.427 {?}    5.083  0.061  0.162      51.755     40.616  0  0
   2530 {?}    7.597  0.038  0.054 {?}  115.817  0.674  1.030 {?}    5.037  0.111  0.171     122.154     10.483  0  0
   2531 {101.H}    6.046  0.031  0.067 {101.N}  115.753  0.708  1.229 {101.HA}    4.701  0.121  0.211      28.770     26.766  0  0
   2532 {?}    6.047  0.028  0.079 {?}  115.740  0.615  0.981 {?}    4.127  0.105  0.142     355.935      8.214  0  0
   2533 {?}    7.399  0.032  0.027 {?}  115.751  0.734  0.628 {?}    4.108  0.098  0.085       2.611      4.546  0  0
   2534 {?}    6.049  0.027  0.062 {?}  115.661  0.750  2.054 {?}    3.744  0.071  0.175     652.534     47.802  0  0
   2535 {101.H}    6.050  0.032  0.068 {101.N}  115.679  0.691  1.211 {100.HA}    3.358  0.103  0.153    2631.417     25.807  0  0
   2536 {?}    6.050  0.034  0.016 {?}  115.704  0.736  0.368 {?}    2.745  0.112  0.070     204.758      3.458  0  0
   2537 {?}    6.050  0.035  0.067 {?}  115.718  0.711  1.093 {?}    2.570  0.089  0.167     255.496     13.450  0  0
   2538 {?}    7.396  0.040  0.062 {?}  115.767  0.661  0.855 {?}    2.211  0.103  0.142      75.681      7.989  0  0
   2539 {101.H}    6.050  0.042  0.170 {101.N}  115.679  0.667  0.953 {46.HB3}    2.146  0.080  0.152    1946.357    280.055  0  0
   2540 {?}    6.049  0.042  0.170 {?}  115.612  0.667  0.953 {?}    1.777  0.080  0.152     406.480    280.055  0  0
   2541 {?}    6.050  0.039  0.022 {?}  115.676  0.902  0.484 {?}    1.446  0.112  0.064    2465.552      3.381  0  0
   2542 {?}    6.050  0.027  0.127 {?}  115.672  0.712  1.017 {?}    1.164  0.081  0.134    1913.599    230.630  0  0
   2543 {?}    6.050  0.037  0.100 {?}  115.677  0.668  1.265 {?}    0.848  0.070  0.100    4514.255     30.380  0  0
   2544 {?}    6.050  0.028  0.060 {?}  115.674  0.558  1.173 {?}    0.496  0.147  0.211    1837.348     19.874  0  0
   2545 {?}    7.782  0.040  0.070 {?}  115.334  0.681  1.108 {?}    9.476  0.073  0.105      61.215     15.716  0  0
   2546 {146.H}    8.434  0.028  0.022 {146.N}  115.412  0.786  0.559 {145.H}    9.053  0.063  0.090    1178.134      3.972  0  0
   2547 {146.H}    8.434  0.020  0.049 {146.N}  115.394  0.624  0.716 {143.H}    8.826  0.070  0.082     309.504      6.053  0  0
   2548 {146.H}    8.436  0.020  0.049 {146.N}  115.413  0.624  0.716 {148.H}    8.692  0.070  0.082     363.741      6.053  0  0
   2549 {64.H}    8.188  0.037  0.056 {64.N}  115.385  0.661  0.936 {63.H}    8.637  0.076  0.105     194.272      9.647  0  0
   2550 {146.H}    8.434  0.037  0.056 {146.N}  115.416  0.661  0.936 {146.H}    8.451  0.076  0.105    4557.912      9.647  0  0
   2551 {?}    8.434  0.024  0.064 {?}  115.425  0.707  1.266 {?}    8.291  0.137  0.211     174.938     17.720  0  0
   2552 {64.H 99.H}    8.220  0.025  0.018 {64.N 99.N}  115.513  0.910  0.699 {64.H 99.H}    8.230  0.134  0.192   18949.398      3.966  0  0
   2553 {78.H}    7.779  0.028  0.035 {78.N}  115.438  0.808  0.956 {79.H}    8.150  0.147  0.211     197.797      6.638  0  0
   2554 {99.H}    8.220  0.041  0.041 {99.N}  115.427  0.656  0.664 {100.H}    8.002  0.100  0.143    2066.090      5.289  0  0
   2555 {?}    8.219  0.027  0.208 {?}  115.420  0.660  1.656 {?}    7.779  0.094  0.162    1068.888     61.752  0  0
   2556 {78.H}    7.779  0.035  0.038 {78.N}  115.388  0.574  0.656 {78.H}    7.774  0.097  0.139    5408.277      6.090  0  0
   2557 {64.H}    8.192  0.032  0.025 {64.N}  115.392  0.747  0.512 {65.H}    7.672  0.183  0.138     816.205      4.009  0  0
   2558 {?}    7.778  0.030  0.077 {?}  115.408  0.749  1.474 {?}    7.551  0.115  0.164     466.977     28.612  0  0
   2559 {91.H}    7.338  0.039  0.071 {91.N}  115.258  0.632  1.061 {92.H}    7.532  0.105  0.151    2829.436     13.912  0  0
   2560 {78.H}    7.779  0.039  0.054 {78.N}  115.390  0.660  0.917 {77.H}    7.395  0.062  0.098    2446.729      8.775  0  0
   2561 {?}    8.436  0.038  0.052 {?}  115.409  0.695  0.953 {?}    7.359  0.161  0.202      37.043      7.621  0  0
   2562 {107.HD21}    7.176  0.031  0.085 {107.ND2}  115.280  0.566  1.335 {107.HD22}    7.297  0.078  0.112    3246.715     47.399  0  0
   2563 {?}    8.434  0.027  0.037 {?}  115.410  0.728  0.927 {?}    7.244  0.189  0.270     216.986      7.660  0  0
   2564 {?}    8.433  0.036  0.049 {?}  115.411  0.632  0.813 {?}    7.072  0.106  0.131     212.874      6.898  0  0
   2565 {?}    7.779  0.036  0.025 {?}  115.392  0.837  0.693 {?}    7.057  0.116  0.092    1842.305      4.102  0  0
   2566 {?}    7.338  0.037  0.010 {?}  115.290  0.719  0.223 {?}    6.949  0.051  0.046     634.265      3.074  0  0
   2567 {?}    8.220  0.040  0.078 {?}  115.428  0.695  1.120 {?}    6.906  0.067  0.113     560.953     15.448  0  0
   2568 {?}    6.048  0.026  0.041 {?}  115.520  0.606  1.035 {?}    6.910  0.170  0.258      48.402     10.018  0  0
   2569 {?}    7.778  0.033  0.037 {?}  115.352  0.697  0.789 {?}    6.881  0.162  0.175     349.596      5.894  0  0
   2570 {?}    7.779  0.032  0.041 {?}  115.407  0.804  1.003 {?}    6.743  0.071  0.403     198.898      7.269  0  0
   2571 {?}    8.217  0.026  0.019 {?}  115.471  0.866  0.536 {?}    6.542  0.096  0.137     305.502      3.720  0  0
   2572 {?}    7.776  0.026  0.026 {?}  115.369  0.728  0.725 {?}    6.532  0.274  0.391     339.710      5.187  0  0
   2573 {91.H 107.HD22}    7.275  0.043  0.039 {91.N 107.ND2}  115.389  0.884  0.796 {95.H 95.H}    6.503  0.059  0.118      38.676      4.643  0  0
   2574 {?}    8.434  0.030  0.030 {?}  115.358  0.724  0.732 {?}    6.487  0.113  0.114      29.502      5.283  0  0
   2575 {?}    7.778  0.033  0.021 {?}  115.371  1.163  0.708 {?}    6.262  0.115  0.061     461.301      3.496  0  0
   2576 {?}    8.437  0.024  0.017 {?}  115.299  0.817  0.618 {?}    6.178  0.073  0.126      95.332      3.988  0  0
   2577 {?}    7.780  0.027  0.043 {?}  115.418  0.875  1.341 {?}    6.109  0.112  0.190     164.060     11.122  0  0
   2578 {?}    8.432  0.033  0.030 {?}  115.406  0.649  0.584 {?}    6.085  0.147  0.211     151.001      4.739  0  0
   2579 {?}    8.221  0.028  0.016 {?}  115.446  0.790  0.455 {?}    6.066  0.190  0.271     379.959      3.581  0  0
   2580 {?}    7.342  0.024  0.017 {?}  115.332  0.889  0.597 {?}    6.054  0.268  0.383      66.825      3.801  0  0
   2581 {?}    7.784  0.024  0.013 {?}  115.423  0.869  0.494 {?}    5.935  0.147  0.211     120.607      3.438  0  0
   2582 {?}    8.213  0.017  0.014 {?}  115.551  0.841  0.719 {?}    5.900  0.147  0.211     137.082      4.433  0  0
   2583 {?}    7.335  0.031  0.020 {?}  115.346  0.721  0.384 {?}    5.915  0.106  0.147     162.585      3.549  0  0
   2584 {?}    8.432  0.043  0.062 {?}  115.388  0.795  0.882 {?}    5.788  0.074  0.177      64.712      5.946  0  0
   2585 {?}    8.221  0.030  0.067 {?}  115.473  0.652  1.235 {?}    5.728  0.097  0.137     208.606     28.304  0  0
   2586 {?}    8.442  0.033  0.026 {?}  115.401  0.701  0.507 {?}    5.673  0.240  0.343      91.142      4.074  0  0
   2587 {?}    8.432  0.032  0.033 {?}  115.487  0.952  0.986 {?}    5.567  0.105  0.151      14.645      5.463  0  0
   2588 {?}    7.781  0.042  0.076 {?}  115.420  0.703  1.195 {?}    5.461  0.105  0.151     317.508     19.387  0  0
   2589 {?}    8.432  0.037  0.060 {?}  115.485  0.717  1.043 {?}    5.423  0.122  0.159     178.053     10.542  0  0
   2590 {?}    8.438  0.014  0.034 {?}  115.424  0.662  0.709 {?}    5.287  0.068  0.156     196.610      5.640  0  0
   2591 {?}    7.774  0.043  0.073 {?}  115.393  0.684  1.065 {?}    5.263  0.105  0.151     225.437     12.697  0  0
   2592 {?}    7.335  0.035  0.028 {?}  115.299  0.831  0.691 {?}    5.204  0.058  0.101     191.203      4.176  0  0
   2593 {?}    8.432  0.039  0.031 {?}  115.406  0.651  0.520 {?}    5.139  0.105  0.151     294.203      4.343  0  0
   2594 {?}    7.778  0.022  0.026 {?}  115.403  0.803  0.979 {?}    5.098  0.232  0.331     295.725      6.606  0  0
   2595 {?}    8.434  0.034  0.026 {?}  115.436  0.762  0.578 {?}    4.927  0.134  0.192     547.257      4.065  0  0
   2596 {?}    7.783  0.036  0.038 {?}  115.459  0.574  0.615 {?}    4.918  0.105  0.151     311.461      5.615  0  0
   2597 {107.HD22}    7.339  0.041  0.042 {107.ND2}  115.254  0.859  0.876 {107.HA}    4.806  0.105  0.151     375.114      5.355  0  0
   2598 {?}    7.776  0.032  0.053 {?}  115.404  0.786  1.061 {?}    4.718  0.069  0.196     288.052      8.924  0  0
   2599 {?}    8.431  0.030  0.034 {?}  115.440  0.706  0.774 {?}    4.651  0.129  0.137     340.839      5.934  0  0
   2600 {?}    8.434  0.046  0.072 {?}  115.413  0.692  1.063 {?}    4.543  0.063  0.215     370.891     12.793  0  0
   2601 {107.HD22}    7.265  0.027  0.036 {107.ND2}  115.358  0.532  0.671 {2.HA}    4.524  0.147  0.211     136.958      7.062  0  0
   2602 {?}    7.778  0.035  0.031 {?}  115.379  0.723  0.604 {?}    4.473  0.147  0.211     480.488      4.494  0  0
   2603 {?}    8.211  0.028  0.044 {?}  115.470  0.621  1.013 {?}    4.447  0.092  0.133     143.405     10.746  0  0
   2604 {?}    8.181  0.036  0.057 {?}  115.457  0.682  1.041 {?}    4.434  0.147  0.211      82.752      9.797  0  0
   2605 {?}    8.435  0.018  0.040 {?}  115.386  0.733  0.745 {?}    4.406  0.147  0.211     679.836      5.316  0  0
   2606 {?}    7.780  0.033  0.043 {?}  115.409  0.691  0.881 {?}    4.356  0.194  0.353     497.548      7.405  0  0
   2607 {?}    7.337  0.034  0.089 {?}  115.273  0.581  1.296 {?}    4.303  0.128  0.199    1605.963     31.945  0  0
   2608 {64.H 99.H}    8.186  0.033  0.085 {64.N 99.N}  115.395  0.740  1.365 {64.HA 98.HA3}    4.277  0.122  0.181     210.088     26.992  0  0
   2609 {146.H 146.H}    8.434  0.027  0.062 {146.N 146.N}  115.415  0.688  1.092 {143.HA 145.HA}    4.176  0.023  0.082    1604.611     14.234  0  0
   2610 {107.HD21}    7.221  0.038  0.094 {107.ND2}  115.303  0.712  1.204 {104.HA2}    4.062  0.145  0.199     150.164     22.851  0  0
   2611 {64.H}    8.221  0.026  0.068 {64.N}  115.377  0.676  1.509 {63.HA3}    4.001  0.073  0.122     309.863     50.052  0  0
   2612 {78.H 78.H}    7.778  0.032  0.078 {78.N 78.N}  115.391  0.587  1.324 {77.HA2 77.HA3}    4.002  0.059  0.096    1438.050     41.496  0  0
   2613 {?}    8.220  0.039  0.042 {?}  115.434  0.724  0.820 {?}    3.746  0.125  0.149    2913.420      6.125  0  0
   2614 {?}    7.337  0.032  0.080 {?}  115.323  0.758  1.355 {?}    3.594  0.077  0.170     189.765     29.305  0  0
   2615 {99.H}    8.188  0.030  0.018 {99.N}  115.396  0.769  0.321 {100.HA}    3.431  0.092  0.040     219.781      3.278  0  0
   2616 {146.H}    8.434  0.028  0.025 {146.N}  115.419  0.863  0.788 {146.HD3}    3.278  0.185  0.265    1151.840      4.675  0  0
   2617 {146.H}    8.435  0.035  0.034 {146.N}  115.418  0.767  0.709 {146.HD2}    3.143  0.090  0.178     515.780      4.859  0  0
   2618 {?}    7.779  0.019  0.038 {?}  115.395  0.617  0.568 {?}    3.057  0.105  0.151    1217.588      4.826  0  0
   2619 {?}    7.778  0.033  0.082 {?}  115.375  0.664  1.283 {?}    2.844  0.119  0.236     195.755     26.946  0  0
   2620 {?}    8.220  0.040  0.038 {?}  115.438  0.850  0.766 {?}    2.781  0.165  0.149     172.160      4.574  0  0
   2621 {?}    7.339  0.038  0.074 {?}  115.283  0.691  1.089 {?}    2.567  0.092  0.146      22.232     14.955  0  0
   2622 {146.H}    8.433  0.039  0.094 {146.N}  115.415  0.722  1.252 {146.HG2}    2.493  0.104  0.180    1384.552     22.135  0  0
   2623 {?}    7.778  0.035  0.049 {?}  115.394  0.677  0.865 {?}    2.441  0.147  0.211     292.488      7.530  0  0
   2624 {?}    7.777  0.023  0.024 {?}  115.424  0.832  0.874 {?}    2.301  0.150  0.155      61.527      5.504  0  0
   2625 {?}    8.434  0.023  0.024 {?}  115.418  0.832  0.874 {?}    2.133  0.150  0.155    6579.354      5.504  0  0
   2626 {?}    7.779  0.036  0.080 {?}  115.288  0.709  1.178 {?}    2.047  0.114  0.175     113.306     18.445  0  0
   2627 {107.HD21}    7.180  0.027  0.084 {107.ND2}  115.256  0.695  1.547 {1.HB2}    1.974  0.086  0.167     263.145     54.412  0  0
   2628 {?}    7.778  0.038  0.044 {?}  115.392  0.481  0.588 {?}    1.828  0.082  0.098     427.767      6.700  0  0
   2629 {91.H}    7.338  0.039  0.075 {91.N}  115.266  0.722  1.171 {90.HB2}    1.829  0.093  0.216    2600.301     16.802  0  0
   2630 {146.H}    8.435  0.033  0.083 {146.N}  115.406  0.721  1.461 {146.HB2}    1.727  0.109  0.199     441.443     31.371  0  0
   2631 {107.HD21}    7.174  0.029  0.017 {107.ND2}  115.276  0.780  0.282 {2.HB2}    1.646  0.060  0.065     212.440      3.112  0  0
   2632 {?}    7.778  0.052  0.049 {?}  115.435  0.772  0.737 {?}    1.520  0.132  0.124     146.853      4.961  0  0
   2633 {?}    8.434  0.052  0.049 {?}  115.418  0.772  0.737 {?}    1.486  0.132  0.124    1027.377      4.961  0  0
   2634 {107.HD22}    7.268  0.033  0.101 {107.ND2}  115.261  0.686  1.471 {2.HG3}    1.419  0.105  0.271     138.714     32.738  0  0
   2635 {146.H 146.H}    8.435  0.034  0.048 {146.N 146.N}  115.424  0.792  1.004 {145.HD11 145.HD12}    1.179  0.063  0.080     525.862      7.546  0  0
   2636 {?}    8.221  0.033  0.056 {?}  115.416  0.711  1.049 {?}    1.166  0.146  0.235    1902.384     11.403  0  0
   2637 {?}    8.434  0.031  0.055 {?}  115.410  0.603  0.973 {?}    0.968  0.063  0.090    1663.305     11.552  0  0
   2638 {?}    8.194  0.041  0.076 {?}  115.383  0.637  1.104 {?}    0.904  0.071  0.237    2253.754     13.771  0  0
   2639 {?}    8.220  0.044  0.070 {?}  115.422  0.746  1.160 {?}    0.850  0.105  0.331    1382.648     14.633  0  0
   2640 {107.HD22}    7.338  0.015  0.037 {107.ND2}  115.267  0.736  0.826 {95.HG11}    0.846  0.105  0.151    1138.452      6.277  0  0
   2641 {146.H 146.H 146.H}    8.433  0.031  0.077 {146.N 146.N 146.N}  115.337  0.659  1.261 {140.HG11 140.HG12 140.HG13}    0.776  0.105  0.151      28.890     27.695  0  0
   2642 {?}    7.780  0.036  0.079 {?}  115.382  0.687  1.136 {?}    0.773  0.148  0.207    1541.514     18.500  0  0
   2643 {?}    7.339  0.028  0.074 {?}  115.272  0.659  1.230 {?}    0.689  0.105  0.151     875.636     25.914  0  0
   2644 {?}    7.779  0.030  0.072 {?}  115.388  0.658  1.180 {?}    0.594  0.190  0.271    2718.943     14.694  0  0
   2645 {?}    7.788  0.039  0.114 {?}  115.426  0.644  1.207 {?}    0.346  0.166  0.271      53.861     35.967  0  0
   2646 {78.H 78.H}    7.779  0.039  0.067 {78.N 78.N}  115.379  0.669  1.050 {76.HD11 76.HD12}   -0.485  0.105  0.151     961.824     13.666  0  0
   2647 {107.HD22}    7.274  0.036  0.090 {107.ND2}  115.125  0.684  1.206 {2.H}    8.899  0.098  0.140     391.533     26.867  0  0
   2648 {107.HD21}    7.178  0.025  0.056 {107.ND2}  115.227  0.736  1.249 {2.H}    8.895  0.105  0.151     100.388     14.665  0  0
   2649 {107.HD21}    7.178  0.032  0.088 {107.ND2}  115.153  0.686  1.687 {107.H}    7.822  0.101  0.192     674.081     65.728  0  0
   2650 {91.H}    7.338  0.028  0.051 {91.N}  115.235  0.680  1.074 {90.H}    7.743  0.033  0.106    2597.891     11.905  0  0
   2651 {91.H 91.H}    7.272  0.028  0.051 {91.N 91.N}  115.210  0.680  1.074 {90.H 94.H}    7.757  0.033  0.106     630.554     11.905  0  0
   2652 {91.H}    7.338  0.039  0.131 {91.N}  115.244  0.678  1.465 {91.H}    7.347  0.152  0.245    8030.487     55.791  0  0
   2653 {91.H 107.HD22}    7.278  0.034  0.089 {91.N 107.ND2}  115.017  0.695  1.244 {91.H 107.HD22}    7.298  0.105  0.151    4818.566     31.346  0  0
   2654 {107.HD21}    7.177  0.047  0.067 {107.ND2}  115.133  0.693  1.141 {107.HD21}    7.189  0.194  0.383    4328.608     16.939  0  0
   2655 {?}    7.336  0.035  0.103 {?}  115.183  0.694  1.288 {?}    5.730  0.147  0.211     146.858     33.262  0  0
   2656 {?}    7.336  0.025  0.041 {?}  115.184  0.696  0.993 {?}    5.432  0.087  0.123     172.353      9.420  0  0
   2657 {107.HD22}    7.338  0.031  0.104 {107.ND2}  115.215  0.722  2.016 {95.HA}    5.029  0.080  0.271     352.834    109.954  0  0
   2658 {107.HD22}    7.277  0.037  0.065 {107.ND2}  115.181  0.650  1.052 {107.HA}    4.787  0.134  0.192      31.028     10.810  0  0
   2659 {?}    7.337  0.031  0.104 {?}  115.238  0.639  1.558 {?}    4.684  0.071  0.223     274.530     73.250  0  0
   2660 {?}    7.276  0.027  0.153 {?}  115.142  0.717  2.283 {?}    4.675  0.058  0.373     106.898    190.791  0  0
   2661 {?}    7.174  0.037  0.062 {?}  115.144  0.755  1.105 {?}    4.686  0.121  0.247      86.213     11.234  0  0
   2662 {107.HD22}    7.267  0.037  0.097 {107.ND2}  115.184  0.696  1.407 {1.HA}    4.407  0.083  0.208      43.534     51.094  0  0
   2663 {107.HD21}    7.179  0.047  0.067 {107.ND2}  115.057  0.698  1.216 {1.HA}    4.373  0.141  0.202     123.795     26.407  0  0
   2664 {107.HD21}    7.175  0.038  0.028 {107.ND2}  115.162  0.848  0.712 {94.HA2}    4.263  0.068  0.128      85.282      4.276  0  0
   2665 {91.H}    7.338  0.038  0.076 {91.N}  115.240  0.683  1.112 {91.HA}    4.070  0.105  0.151    2002.001     18.022  0  0
   2666 {107.HD21}    7.178  0.032  0.100 {107.ND2}  115.155  0.739  1.315 {104.HA2}    4.003  0.112  0.173     534.989     47.322  0  0
   2667 {?}    7.264  0.034  0.128 {?}  115.162  0.713  1.638 {?}    2.919  0.104  0.367      63.981     61.452  0  0
   2668 {?}    7.337  0.031  0.109 {?}  115.239  0.722  2.027 {?}    2.766  0.071  0.102     537.781    146.953  0  0
   2669 {107.HD22}    7.272  0.038  0.104 {107.ND2}  115.241  0.646  1.303 {107.HB3}    2.691  0.061  0.133    1336.395     28.308  0  0
   2670 {107.HD21 107.HD21}    7.178  0.038  0.097 {107.ND2 107.ND2}  115.128  0.721  1.688 {107.HB2 107.HB3}    2.687  0.117  0.422    2434.178     47.656  0  0
   2671 {107.HD21 107.HD21}    7.107  0.038  0.050 {107.ND2 107.ND2}  115.171  0.780  1.020 {107.HB2 107.HB3}    2.690  0.042  0.115      32.552      8.165  0  0
   2672 {107.HD21}    7.174  0.024  0.033 {107.ND2}  115.158  0.628  0.930 {1.HG2}    2.435  0.065  0.090      30.266      8.373  0  0
   2673 {91.H}    7.338  0.035  0.047 {91.N}  115.248  0.820  1.106 {91.HG3}    2.401  0.077  0.113    2790.952      9.015  0  0
   2674 {?}    7.171  0.027  0.032 {?}  115.201  0.584  0.782 {?}    2.250  0.062  0.073      20.149      6.944  0  0
   2675 {91.H}    7.338  0.027  0.032 {91.N}  115.243  0.584  0.782 {91.HG2}    2.212  0.062  0.073    6836.224      6.944  0  0
   2676 {?}    7.338  0.032  0.059 {?}  115.247  0.773  1.241 {?}    2.089  0.081  0.133    4051.237     14.673  0  0
   2677 {107.HD22}    7.274  0.032  0.059 {107.ND2}  115.134  0.773  1.241 {1.HB2}    1.964  0.081  0.133     834.853     14.673  0  0
   2678 {?}    7.260  0.036  0.018 {?}  115.168  0.682  0.229 {?}    1.804  0.065  0.023     443.291      3.134  0  0
   2679 {107.HD21}    7.182  0.040  0.023 {107.ND2}  115.169  0.964  0.691 {93.HB2}    1.814  0.077  0.046      81.160      3.666  0  0
   2680 {107.HD22}    7.337  0.025  0.030 {107.ND2}  115.235  0.676  0.911 {2.HB2}    1.677  0.070  0.083    1654.889      7.246  0  0
   2681 {107.HD22}    7.273  0.045  0.090 {107.ND2}  115.122  0.815  1.067 {2.HB2}    1.651  0.128  0.179    1195.330      8.483  0  0
   2682 {91.H}    7.337  0.044  0.055 {91.N}  115.236  0.831  1.027 {90.HG}    1.557  0.205  0.412     556.936      7.092  0  0
   2683 {107.HD21}    7.178  0.039  0.097 {107.ND2}  115.154  0.623  1.225 {2.HG3}    1.428  0.076  0.123     151.353     18.328  0  0
   2684 {?}    7.175  0.017  0.009 {?}  115.091  0.641  0.303 {?}    1.257  0.092  0.064      92.850      3.415  0  0
   2685 {91.H 107.HD22}    7.338  0.034  0.047 {91.N 107.ND2}  115.222  0.573  0.847 {92.HG23 132.HG}    1.138  0.119  0.162     623.163      8.112  0  0
   2686 {107.HD22 107.HD22}    7.282  0.043  0.092 {107.ND2 107.ND2}  115.173  0.552  1.148 {95.HG11 95.HG13}    0.845  0.105  0.151     676.898     17.872  0  0
   2687 {107.HD21 107.HD21 107.HD21}    7.179  0.039  0.173 {107.ND2 107.ND2 107.ND2}  115.152  0.605  1.687 {95.HG11 95.HG12 95.HG13}    0.850  0.113  0.220     471.857     61.377  0  0
   2688 {?}    7.279  0.035  0.157 {?}  115.139  0.733  1.831 {?}    0.683  0.080  0.226    1963.140     82.112  0  0
   2689 {?}    7.176  0.045  0.033 {?}  115.160  0.917  0.599 {?}    0.692  0.100  0.064    2081.280      3.819  0  0
   2690 {107.HD22 107.HD22 107.HD22}    7.275  0.024  0.033 {107.ND2 107.ND2 107.ND2}  115.138  0.733  1.008 {132.HD21 132.HD22 132.HD23}    0.556  0.054  0.079     823.103      8.639  0  0
   2691 {164.H}    7.926  0.030  0.059 {164.N}  114.418  0.695  1.154 {161.H}    9.260  0.077  0.127      90.789     17.122  0  0
   2692 {?}    7.931  0.021  0.007 {?}  114.364  0.985  0.371 {?}    8.709  0.061  0.017     193.814      3.039  0  0
   2693 {164.H}    7.928  0.030  0.041 {164.N}  114.422  0.897  1.173 {162.H}    8.343  0.059  0.076     760.904      8.612  0  0
   2694 {164.H}    7.928  0.027  0.016 {164.N}  114.397  0.795  0.368 {164.H}    7.927  0.111  0.061    9400.723      3.228  0  0
   2695 {164.H}    7.928  0.027  0.016 {164.N}  114.408  0.795  0.368 {163.H}    7.635  0.111  0.061    6191.606      3.228  0  0
   2696 {?}    7.929  0.027  0.016 {?}  114.374  0.795  0.368 {?}    7.318  0.111  0.061     465.339      3.228  0  0
   2697 {?}    7.926  0.033  0.142 {?}  114.391  0.731  2.406 {?}    7.043  0.069  0.159     568.176    175.868  0  0
   2698 {?}    7.926  0.034  0.142 {?}  114.454  0.743  1.061 {?}    6.812  0.097  0.168     214.609    255.193  0  0
   2699 {?}    7.924  0.033  0.097 {?}  114.402  0.722  1.878 {?}    6.680  0.032  0.102     244.089     72.796  0  0
   2700 {?}    7.928  0.031  0.112 {?}  114.464  0.623  2.406 {?}    6.508  0.086  0.133     202.670    134.320  0  0
   2701 {?}    7.928  0.035  0.074 {?}  114.422  0.690  1.171 {?}    6.267  0.063  0.090     223.889     16.941  0  0
   2702 {?}    7.927  0.030  0.097 {?}  114.408  0.705  1.161 {?}    6.011  0.105  0.151     344.669     14.235  0  0
   2703 {?}    7.929  0.031  0.047 {?}  114.355  0.604  0.925 {?}    5.766  0.105  0.151     291.488      8.935  0  0
   2704 {?}    7.923  0.025  0.039 {?}  114.510  0.860  1.243 {?}    5.618  0.105  0.151      79.751      9.034  0  0
   2705 {?}    7.930  0.030  0.067 {?}  114.339  0.670  1.132 {?}    5.474  0.105  0.151     385.178     10.810  0  0
   2706 {164.H}    7.926  0.036  0.112 {164.N}  114.438  0.677  1.266 {160.HA}    4.878  0.250  0.331     387.599     19.439  0  0
   2707 {?}    7.929  0.031  0.045 {?}  114.412  0.653  0.877 {?}    4.749  0.147  0.211     450.838      7.003  0  0
   2708 {?}    7.928  0.034  0.094 {?}  114.393  0.586  1.033 {?}    4.627  0.065  0.189     602.301     12.497  0  0
   2709 {164.H}    7.928  0.034  0.087 {164.N}  114.424  0.669  1.310 {162.HA}    4.491  0.083  0.119     705.177     28.099  0  0
   2710 {164.H}    7.928  0.038  0.057 {164.N}  114.410  0.743  1.047 {163.HA}    4.181  0.190  0.271     974.628      9.851  0  0
   2711 {164.H}    7.928  0.027  0.026 {164.N}  114.410  0.900  0.875 {164.HA}    3.882  0.105  0.151    3000.132      5.020  0  0
   2712 {164.H}    7.926  0.019  0.014 {164.N}  114.380  0.909  0.712 {160.HB2}    2.974  0.151  0.274     411.200      3.991  0  0
   2713 {164.H}    7.928  0.038  0.021 {164.N}  114.411  0.819  0.519 {164.HG2}    2.550  0.105  0.151    2687.170      3.742  0  0
   2714 {?}    7.928  0.029  0.062 {?}  114.415  0.697  1.131 {?}    2.329  0.119  0.236    1522.765     14.962  0  0
   2715 {164.H}    7.928  0.032  0.022 {164.N}  114.401  0.878  0.600 {164.HE3}    2.048  0.134  0.192    1731.207      3.650  0  0
   2716 {164.H}    7.927  0.035  0.040 {164.N}  114.420  0.603  0.741 {164.HB3}    1.875  0.054  0.163    1441.295      6.472  0  0
   2717 {?}    7.927  0.024  0.019 {?}  114.403  1.096  0.920 {?}    1.590  0.147  0.211    2016.829      4.215  0  0
   2718 {164.H}    7.928  0.040  0.056 {164.N}  114.412  0.804  1.162 {163.HB2}    1.224  0.190  0.271    2382.848      8.913  0  0
   2719 {?}    7.928  0.047  0.027 {?}  114.404  0.882  0.543 {?}    0.915  0.197  0.174    1098.439      3.632  0  0
   2720 {?}    7.925  0.034  0.030 {?}  114.319  0.758  0.667 {?}    0.602  0.274  0.391     344.275      4.592  0  0
   2721 {164.H}    7.928  0.031  0.039 {164.N}  114.396  0.718  0.882 {159.HG13}   -0.400  0.316  0.452     347.560      7.105  0  0
   2722 {46.HD21}    7.536  0.040  0.008 {46.ND2}  114.083  0.859  0.165 {45.H}    9.141  0.172  0.246     167.921      2.856  0  0
   2723 {46.HD22}    6.588  0.027  0.019 {46.ND2}  114.048  0.727  0.430 {45.H}    9.152  0.105  0.151      98.425      3.679  0  0
   2724 {46.HD22}    6.590  0.032  0.031 {46.ND2}  114.098  0.864  0.837 {46.H}    8.324  0.105  0.151     349.020      5.041  0  0
   2725 {93.H}    7.344  0.025  0.012 {93.N}  114.099  0.909  0.589 {94.H}    7.757  0.055  0.071    2890.549      3.527  0  0
   2726 {46.HD21}    7.538  0.028  0.034 {46.ND2}  114.037  0.644  0.788 {46.HD21}    7.539  0.274  0.391    3855.050      6.768  0  0
   2727 {46.HD22}    6.588  0.031  0.034 {46.ND2}  114.117  0.974  1.035 {46.HD21}    7.534  0.147  0.211    1639.932      5.711  0  0
   2728 {?}    7.928  0.027  0.016 {?}  114.299  0.775  0.424 {?}    7.177  0.147  0.211     224.732      3.561  0  0
   2729 {46.HD21}    7.538  0.036  0.031 {46.ND2}  114.119  0.825  0.655 {129.HD1}    7.052  0.105  0.151     702.297      4.324  0  0
   2730 {?}    7.343  0.033  0.032 {?}  114.094  0.823  0.806 {?}    6.918  0.147  0.211     532.039      5.060  0  0
   2731 {?}    7.959  0.026  0.017 {?}  114.222  0.885  0.589 {?}    6.677  0.147  0.211     195.051      3.589  0  0
   2732 {46.HD21}    7.538  0.029  0.030 {46.ND2}  114.139  0.691  0.704 {46.HD22}    6.572  0.190  0.271    1671.801      5.323  0  0
   2733 {?}    7.344  0.040  0.046 {?}  114.079  0.698  0.832 {?}    6.501  0.147  0.211    1102.744      6.083  0  0
   2734 {46.HD21}    7.536  0.039  0.031 {46.ND2}  114.089  0.582  0.532 {46.HA}    6.182  0.096  0.137     324.463      4.807  0  0
   2735 {?}    6.592  0.032  0.028 {?}  114.076  0.741  0.627 {?}    6.166  0.345  0.493     212.034      4.516  0  0
   2736 {46.HD21}    7.544  0.040  0.048 {46.ND2}  114.100  0.831  0.932 {102.H}    5.901  0.232  0.331      60.890      6.107  0  0
   2737 {46.HD22}    6.589  0.028  0.015 {46.ND2}  114.052  0.723  0.264 {102.H}    5.914  0.173  0.153      63.519      3.184  0  0
   2738 {?}    7.928  0.032  0.036 {?}  114.293  0.716  0.841 {?}    5.282  0.134  0.192     287.356      6.293  0  0
   2739 {46.HD21 46.HD21}    7.537  0.034  0.050 {46.ND2 46.ND2}  114.146  0.649  0.986 {44.HB 60.HB2}    4.102  0.147  0.211     552.879      9.058  0  0
   2740 {46.HD22}    6.592  0.027  0.031 {46.ND2}  114.015  0.852  0.955 {44.HB}    4.108  0.134  0.192     493.268      6.299  0  0
   2741 {?}    7.346  0.042  0.051 {?}  114.094  0.793  0.953 {?}    3.593  0.069  0.175     934.623      6.649  0  0
   2742 {?}    7.344  0.030  0.044 {?}  114.094  0.637  1.116 {?}    2.762  0.147  0.211    1015.927     11.653  0  0
   2743 {?}    7.538  0.028  0.060 {?}  114.027  0.614  1.112 {?}    2.585  0.044  0.131     840.749     20.525  0  0
   2744 {?}    6.587  0.027  0.042 {?}  114.106  0.589  0.929 {?}    2.584  0.084  0.271     472.235     10.921  0  0
   2745 {46.HD22}    6.587  0.033  0.069 {46.ND2}  114.103  0.728  1.216 {46.HB3}    2.122  0.102  0.331     762.789     22.521  0  0
   2746 {?}    6.590  0.032  0.078 {?}  114.090  0.696  1.530 {?}    1.908  0.073  0.136     157.333     53.881  0  0
   2747 {93.H}    7.344  0.031  0.109 {93.N}  114.083  0.603  1.324 {93.HB2}    1.817  0.122  0.199    3463.202     43.185  0  0
   2748 {?}    7.343  0.031  0.109 {?}  114.137  0.603  1.324 {?}    1.255  0.122  0.199    1230.221     43.185  0  0
   2749 {?}    7.540  0.035  0.063 {?}  114.076  0.729  1.195 {?}    1.169  0.066  0.096     263.569     18.673  0  0
   2750 {?}    7.344  0.030  0.038 {?}  114.088  0.590  0.722 {?}    1.141  0.067  0.074    2826.822      6.605  0  0
   2751 {?}    6.586  0.030  0.045 {?}  114.095  0.783  1.118 {?}    1.153  0.105  0.151     190.460     10.368  0  0
   2752 {?}    7.538  0.032  0.063 {?}  114.067  0.743  1.218 {?}    0.864  0.105  0.151    1394.780     18.401  0  0
   2753 {?}    6.591  0.026  0.012 {?}  114.091  1.001  0.496 {?}    0.868  0.098  0.045    1203.034      3.303  0  0
   2754 {?}    7.344  0.030  0.081 {?}  114.093  0.712  1.240 {?}    0.753  0.147  0.211    6575.118     29.765  0  0
   2755 {?}    7.539  0.031  0.052 {?}  114.092  0.712  1.084 {?}    0.565  0.096  0.137     354.135     12.999  0  0
   2756 {?}    6.587  0.034  0.034 {?}  114.014  0.780  0.765 {?}    0.559  0.081  0.080     471.739      5.121  0  0
   2757 {93.H}    7.341  0.030  0.099 {93.N}  114.143  0.702  1.248 {95.HG21}    0.501  0.088  0.201     417.303     31.438  0  0
   2758 {82.H}    7.973  0.028  0.044 {82.N}  113.775  0.653  1.062 {84.H}    9.449  0.147  0.211      31.546     11.268  0  0
   2759 {82.H}    7.976  0.032  0.055 {82.N}  113.827  0.682  1.155 {51.H}    9.125  0.147  0.211      47.839     12.514  0  0
   2760 {82.H}    7.977  0.032  0.048 {82.N}  113.866  0.729  1.027 {50.H}    8.678  0.147  0.211    1275.141      9.379  0  0
   2761 {46.HD21}    7.538  0.034  0.112 {46.ND2}  113.978  0.652  1.311 {46.H}    8.323  0.147  0.211     537.507     19.822  0  0
   2762 {71.H}    7.076  0.029  0.059 {71.N}  113.871  0.698  1.339 {70.H}    8.237  0.147  0.211    1375.775     18.751  0  0
   2763 {?}    8.223  0.028  0.028 {?}  113.779  0.635  0.635 {?}    8.218  0.091  0.092      16.490      5.218  0  0
   2764 {82.H}    7.977  0.033  0.139 {82.N}  113.873  0.720  1.780 {82.H}    7.975  0.083  0.118    6799.642     67.650  0  0
   2765 {?}    7.076  0.030  0.112 {?}  113.872  0.609  1.445 {?}    7.760  0.156  0.234      46.462     67.764  0  0
   2766 {?}    7.978  0.043  0.044 {?}  113.898  0.647  0.662 {?}    7.695  0.097  0.098    1489.399      5.338  0  0
   2767 {?}    7.975  0.043  0.044 {?}  113.850  0.647  0.662 {?}    7.490  0.097  0.098     192.742      5.338  0  0
   2768 {71.H}    7.076  0.030  0.215 {71.N}  113.870  0.715  1.957 {72.H}    7.393  0.083  0.145    2819.331    182.682  0  0
   2769 {71.H}    7.076  0.035  0.122 {71.N}  113.870  0.725  1.366 {71.H}    7.082  0.102  0.243    4377.773     28.785  0  0
   2770 {46.HD22}    6.588  0.029  0.070 {46.ND2}  113.994  0.624  1.400 {129.HD1}    7.057  0.090  0.185     701.702     43.116  0  0
   2771 {?}    7.978  0.040  0.058 {?}  113.882  0.642  1.044 {?}    6.701  0.111  0.192     146.692     11.107  0  0
   2772 {71.H}    7.074  0.045  0.058 {71.N}  113.887  0.878  1.047 {74.HD2}    6.564  0.108  0.163     206.193      7.002  0  0
   2773 {46.HD22}    6.588  0.027  0.017 {46.ND2}  113.939  1.028  0.713 {46.HD22}    6.569  0.058  0.088    1975.257      3.599  0  0
   2774 {71.H}    7.072  0.027  0.017 {71.N}  113.841  1.028  0.713 {74.H}    6.240  0.058  0.088      95.147      3.599  0  0
   2775 {?}    7.978  0.031  0.127 {?}  113.852  0.675  1.606 {?}    5.471  0.126  0.218    1132.050     45.969  0  0
   2776 {82.H}    7.974  0.033  0.110 {82.N}  113.879  0.719  1.914 {49.HA}    5.111  0.108  0.209     269.399     84.079  0  0
   2777 {?}    7.339  0.033  0.062 {?}  113.850  0.701  1.153 {?}    5.091  0.074  0.113      43.882     17.008  0  0
   2778 {?}    7.976  0.023  0.011 {?}  113.883  0.952  0.547 {?}    4.976  0.128  0.081     389.260      3.489  0  0
   2779 {?}    7.976  0.033  0.040 {?}  113.875  0.821  1.055 {?}    4.661  0.048  0.065     719.511      8.078  0  0
   2780 {?}    7.076  0.028  0.055 {?}  113.861  0.661  1.054 {?}    4.649  0.063  0.093     108.197     10.001  0  0
   2781 {82.H}    7.976  0.029  0.021 {82.N}  113.876  0.892  0.649 {81.HA}    4.406  0.066  0.044     743.942      3.875  0  0
   2782 {71.H}    7.076  0.031  0.051 {71.N}  113.841  0.717  1.064 {70.HA}    4.285  0.059  0.092     397.065     11.680  0  0
   2783 {82.H}    7.977  0.028  0.042 {82.N}  113.879  0.615  0.959 {82.HB2}    3.942  0.081  0.109    1165.634      9.226  0  0
   2784 {?}    7.073  0.029  0.042 {?}  113.883  0.482  0.640 {?}    3.855  0.082  0.109     627.390      7.758  0  0
   2785 {?}    7.978  0.030  0.048 {?}  113.853  0.571  1.030 {?}    3.760  0.087  0.144     563.269     12.143  0  0
   2786 {?}    7.978  0.029  0.051 {?}  113.886  0.589  1.088 {?}    3.146  0.051  0.092     371.588     12.718  0  0
   2787 {?}    6.586  0.038  0.059 {?}  113.938  0.587  0.998 {?}    3.117  0.082  0.116      58.159     10.375  0  0
   2788 {?}    7.978  0.030  0.089 {?}  113.831  0.518  1.229 {?}    3.024  0.070  0.101     406.435     43.277  0  0
   2789 {18.H 18.H}    7.737  0.025  0.007 {18.N 18.N}  113.697  0.848  0.224 {19.HE2 19.HE3}    3.012  0.048  0.032      63.283      2.958  0  0
   2790 {?}    7.075  0.029  0.037 {?}  113.870  0.475  0.574 {?}    2.988  0.105  0.151     811.536      6.590  0  0
   2791 {?}    7.976  0.040  0.033 {?}  113.868  0.974  0.806 {?}    2.587  0.130  0.098     412.166      4.280  0  0
   2792 {?}    7.076  0.030  0.273 {?}  113.853  0.567  1.354 {?}    2.492  0.079  0.113     740.988    216.658  0  0
   2793 {46.HD21}    7.539  0.032  0.059 {46.ND2}  113.983  0.590  1.172 {46.HB3}    2.129  0.147  0.211    1205.653     15.736  0  0
   2794 {?}    7.076  0.033  0.107 {?}  113.864  0.623  1.842 {?}    2.077  0.091  0.211    2326.872     85.581  0  0
   2795 {?}    7.971  0.025  0.034 {?}  113.884  0.529  0.721 {?}    2.049  0.062  0.211      63.391      7.827  0  0
   2796 {71.H}    7.076  0.033  0.045 {71.N}  113.878  0.736  0.981 {70.HB3}    1.957  0.105  0.151    3910.090      8.035  0  0
   2797 {?}    7.976  0.017  0.031 {?}  113.896  0.604  0.555 {?}    1.912  0.053  0.107     429.243      4.826  0  0
   2798 {?}    7.540  0.033  0.037 {?}  114.001  0.278  0.706 {?}    1.906  0.134  0.192     147.903      6.117  0  0
   2799 {46.HD21}    7.539  0.021  0.021 {46.ND2}  113.971  0.874  0.870 {45.HB2}    1.734  0.136  0.194     102.871      5.191  0  0
   2800 {?}    7.977  0.024  0.005 {?}  113.867  0.661  0.128 {?}    1.682  0.067  0.042    2907.571      2.887  0  0
   2801 {71.H}    7.076  0.024  0.004 {71.N}  113.882  0.997  0.157 {71.HB3}    1.541  0.124  0.025    5736.891      2.805  0  0
   2802 {82.H}    7.975  0.027  0.025 {82.N}  113.855  0.679  0.593 {49.HB2}    1.420  0.147  0.211     796.464      4.627  0  0
   2803 {71.H}    7.075  0.027  0.023 {71.N}  113.883  0.691  0.554 {71.HG3}    1.342  0.105  0.151     656.892      4.355  0  0
   2804 {?}    7.979  0.015  0.023 {?}  113.881  1.021  0.543 {?}    1.019  0.125  0.067    1262.222      3.325  0  0
   2805 {?}    7.731  0.028  0.025 {?}  113.718  0.856  0.761 {?}    1.022  0.134  0.192      44.953      4.618  0  0
   2806 {?}    7.076  0.027  0.025 {?}  113.902  0.684  0.633 {?}    0.874  0.134  0.192     243.173      4.827  0  0
   2807 {?}    7.073  0.012  0.004 {?}  113.863  0.551  0.087 {?}    0.678  0.147  0.211     429.517      2.830  0  0
   2808 {?}    7.976  0.027  0.020 {?}  113.881  0.843  0.621 {?}    0.618  0.134  0.192    2434.135      4.179  0  0
   2809 {?}    7.977  0.025  0.003 {?}  113.868  0.998  0.179 {?}    0.366  0.147  0.211    1794.698      2.787  0  0
   2810 {14.H}    7.404  0.033  0.023 {14.N}  113.448  0.364  0.565 {16.H}    8.708  0.232  0.331    1465.652      4.009  0  0
   2811 {123.H}    7.362  0.024  0.002 {123.N}  113.446  0.725  0.063 {122.H}    8.591  0.079  0.041    2143.640      2.727  0  0
   2812 {18.H}    7.733  0.023  0.004 {18.N}  113.600  0.856  0.146 {17.H}    8.379  0.149  0.029     523.278      2.832  0  0
   2813 {123.H}    7.361  0.032  0.023 {123.N}  113.451  0.673  0.452 {120.H}    8.361  0.274  0.391     274.202      3.923  0  0
   2814 {18.H}    7.733  0.030  0.031 {18.N}  113.629  0.605  0.631 {19.H}    8.147  0.190  0.271     194.076      5.442  0  0
   2815 {14.H}    7.404  0.030  0.035 {14.N}  113.454  0.599  0.753 {13.H}    8.045  0.234  0.331    2000.204      6.793  0  0
   2816 {18.H}    7.733  0.025  0.027 {18.N}  113.626  0.568  0.618 {18.H}    7.728  0.268  0.383   10342.062      5.724  0  0
   2817 {14.H}    7.405  0.034  0.048 {14.N}  113.457  0.572  0.898 {15.H}    7.612  0.147  0.211    3298.273      9.366  0  0
   2818 {14.H}    7.404  0.036  0.013 {14.N}  113.452  0.906  0.374 {14.H}    7.412  0.105  0.151    9700.110      3.266  0  0
   2819 {?}    7.733  0.023  0.016 {?}  113.613  0.423  0.252 {?}    7.399  0.105  0.151    2532.160      3.714  0  0
   2820 {14.H 123.H}    7.362  0.036  0.039 {14.N 123.N}  113.487  0.690  0.775 {14.H 123.H}    7.374  0.053  0.192   16766.008      5.890  0  0
   2821 {?}    7.736  0.030  0.070 {?}  113.627  0.577  1.230 {?}    7.242  0.161  0.211     403.801     25.579  0  0
   2822 {?}    7.361  0.030  0.075 {?}  113.505  0.516  1.290 {?}    7.211  0.092  0.145    4739.901     38.235  0  0
   2823 {?}    7.735  0.032  0.060 {?}  113.612  0.618  1.164 {?}    7.125  0.092  0.176     361.313     15.832  0  0
   2824 {?}    7.734  0.030  0.092 {?}  113.645  0.554  1.347 {?}    6.987  0.051  0.088     238.307     44.013  0  0
   2825 {?}    7.410  0.029  0.022 {?}  113.376  0.678  0.507 {?}    6.789  0.089  0.072      45.645      4.162  0  0
   2826 {?}    7.731  0.029  0.022 {?}  113.578  0.678  0.507 {?}    6.734  0.089  0.072     176.425      4.162  0  0
   2827 {?}    7.363  0.032  0.069 {?}  113.565  0.546  1.194 {?}    6.693  0.048  0.075      75.204     22.773  0  0
   2828 {?}    7.733  0.026  0.042 {?}  113.627  0.505  0.867 {?}    6.502  0.054  0.087     455.380     11.056  0  0
   2829 {?}    7.404  0.033  0.070 {?}  113.471  0.574  1.232 {?}    6.508  0.076  0.140     423.627     24.439  0  0
   2830 {?}    7.731  0.030  0.010 {?}  113.603  0.678  0.197 {?}    6.372  0.032  0.009     220.047      3.051  0  0
   2831 {?}    7.734  0.025  0.016 {?}  113.553  0.935  0.398 {?}    6.208  0.084  0.039     272.630      3.227  0  0
   2832 {?}    7.363  0.029  0.052 {?}  113.447  0.684  1.062 {?}    6.136  0.077  0.108    1336.624     10.017  0  0
   2833 {?}    7.407  0.024  0.007 {?}  113.467  0.702  0.193 {?}    6.022  0.165  0.068      82.074      3.021  0  0
   2834 {14.H}    7.404  0.037  0.040 {14.N}  113.458  0.560  0.610 {14.HD2}    5.862  0.075  0.080    1220.335      5.725  0  0
   2835 {?}    7.355  0.034  0.061 {?}  113.510  0.577  1.120 {?}    5.754  0.102  0.146     464.572     15.180  0  0
   2836 {?}    7.361  0.037  0.055 {?}  113.474  0.574  0.938 {?}    5.557  0.190  0.271     322.250      9.922  0  0
   2837 {?}    7.405  0.033  0.060 {?}  113.524  0.550  1.061 {?}    5.527  0.134  0.192     205.307     14.902  0  0
   2838 {?}    7.358  0.034  0.074 {?}  113.592  0.602  1.346 {?}    5.306  0.081  0.271     180.866     32.825  0  0
   2839 {?}    7.733  0.031  0.066 {?}  113.624  0.586  1.175 {?}    5.255  0.077  0.271     698.905     18.822  0  0
   2840 {?}    7.405  0.031  0.069 {?}  113.421  0.631  1.274 {?}    5.191  0.087  0.192     238.751     21.594  0  0
   2841 {?}    7.408  0.035  0.091 {?}  113.408  0.601  1.351 {?}    5.057  0.087  0.149     113.757     43.968  0  0
   2842 {?}    7.362  0.033  0.055 {?}  113.581  0.315  1.105 {?}    5.039  0.039  0.128     359.752     11.617  0  0
   2843 {?}    7.732  0.031  0.118 {?}  113.622  0.516  1.383 {?}    4.985  0.076  0.132     566.461    153.463  0  0
   2844 {?}    7.735  0.031  0.118 {?}  113.617  0.516  1.383 {?}    4.864  0.076  0.132     352.464    153.463  0  0
   2845 {?}    7.359  0.036  0.064 {?}  113.542  0.567  0.966 {?}    4.878  0.152  0.210     680.622     11.431  0  0
   2846 {?}    7.360  0.035  0.077 {?}  113.568  0.582  1.263 {?}    4.765  0.087  0.157     595.056     26.586  0  0
   2847 {123.H}    7.404  0.030  0.089 {123.N}  113.441  0.558  1.301 {123.HA}    4.740  0.081  0.173     359.960     28.893  0  0
   2848 {?}    7.732  0.031  0.129 {?}  113.647  0.553  1.333 {?}    4.610  0.088  0.285     609.914     68.940  0  0
   2849 {?}    7.361  0.033  0.079 {?}  113.510  0.640  1.335 {?}    4.455  0.105  0.151    1266.980     27.798  0  0
   2850 {123.H}    7.361  0.031  0.094 {123.N}  113.501  0.624  1.346 {122.HA}    4.333  0.098  0.140    1745.350     29.687  0  0
   2851 {14.H}    7.405  0.030  0.070 {14.N}  113.446  0.553  1.159 {13.HA}    4.104  0.058  0.110    1230.885     21.792  0  0
   2852 {18.H}    7.734  0.030  0.070 {18.N}  113.624  0.553  1.159 {16.HA}    3.765  0.058  0.110     454.404     21.792  0  0
   2853 {?}    7.362  0.030  0.070 {?}  113.463  0.553  1.159 {?}    3.762  0.058  0.110     351.294     21.792  0  0
   2854 {?}    7.729  0.026  0.030 {?}  113.586  0.572  0.660 {?}    3.439  0.052  0.060     163.723      6.168  0  0
   2855 {14.H}    7.404  0.051  0.021 {14.N}  113.446  0.780  0.348 {14.HB2}    3.254  0.080  0.038    1873.902      3.338  0  0
   2856 {123.H}    7.362  0.046  0.033 {123.N}  113.458  0.803  0.511 {123.HB2}    2.949  0.095  0.067    3079.098      3.781  0  0
   2857 {14.H}    7.405  0.044  0.121 {14.N}  113.463  0.980  1.718 {12.HB2}    2.854  0.088  0.182     242.296     23.036  0  0
   2858 {18.H}    7.733  0.031  0.042 {18.N}  113.625  0.667  0.941 {18.HB2}    2.623  0.096  0.137    3773.983      7.367  0  0
   2859 {?}    7.733  0.028  0.114 {?}  113.621  0.903  2.491 {?}    2.492  0.082  0.118    3170.136    173.661  0  0
   2860 {14.H}    7.362  0.037  0.052 {14.N}  113.462  0.920  0.945 {14.HB3}    2.488  0.076  0.171    4945.300      5.418  0  0
   2861 {?}    7.404  0.033  0.157 {?}  113.457  0.793  3.525 {?}    2.404  0.113  0.338    3818.969     50.483  0  0
   2862 {14.H}    7.406  0.035  0.123 {14.N}  113.505  0.761  1.913 {16.HB}    1.884  0.102  0.237     254.477     74.150  0  0
   2863 {18.H}    7.731  0.032  0.027 {18.N}  113.604  0.548  0.428 {19.HB2}    1.789  0.110  0.089     174.115      4.282  0  0
   2864 {?}    7.362  0.027  0.060 {?}  113.452  0.645  1.135 {?}    1.461  0.072  0.110    3834.861     12.713  0  0
   2865 {?}    7.733  0.031  0.067 {?}  113.611  0.716  1.224 {?}    1.359  0.072  0.119     541.946     16.118  0  0
   2866 {14.H}    7.404  0.058  0.082 {14.N}  113.448  0.823  1.392 {13.HB2}    1.190  0.109  0.196    3211.271     16.399  0  0
   2867 {14.H}    7.406  0.036  0.053 {14.N}  113.433  0.955  1.105 {16.HG11}    1.031  0.063  0.090     836.679      6.662  0  0
   2868 {18.H}    7.740  0.016  0.044 {18.N}  113.677  0.815  1.069 {140.HG22}    0.926  0.147  0.211      31.146      8.179  0  0
   2869 {123.H}    7.404  0.029  0.052 {123.N}  113.425  0.634  1.208 {121.HD11}    0.857  0.130  0.302     440.593     11.765  0  0
   2870 {18.H}    7.732  0.033  0.046 {18.N}  113.613  0.640  0.937 {140.HG11}    0.760  0.112  0.188     379.516      8.560  0  0
   2871 {18.H 18.H 18.H}    7.733  0.034  0.114 {18.N 18.N 18.N}  113.660  0.752  1.850 {16.HG21 16.HG22 16.HG23}    0.191  0.083  0.133     356.553     62.867  0  0
   2872 {?}    7.407  0.033  0.131 {?}  113.431  0.799  2.172 {?}    0.192  0.081  0.125      85.872    126.117  0  0
   2873 {?}    7.405  0.022  0.046 {?}  113.353  0.807  0.797 {?}    7.005  0.101  0.144     196.891      5.153  0  0
   2874 {?}    7.403  0.035  0.035 {?}  113.271  0.643  0.620 {?}    6.212  0.147  0.211     274.788      5.031  0  0
   2875 {?}    7.401  0.033  0.042 {?}  113.291  0.795  1.045 {?}    4.935  0.105  0.151      82.148      7.706  0  0
   2876 {?}    7.539  0.033  0.042 {?}  112.924  0.864  1.022 {?}    9.683  0.086  0.105     137.828      6.829  0  0
   2877 {103.H}    7.539  0.022  0.007 {103.N}  112.855  0.799  0.236 {104.H}    7.804  0.156  0.077     946.119      3.001  0  0
   2878 {?}    6.854  0.034  0.025 {?}  112.966  0.588  0.437 {?}    7.610  0.194  0.355      27.968      4.147  0  0
   2879 {103.H}    7.539  0.018  0.024 {103.N}  112.855  0.645  0.301 {103.H}    7.540  0.145  0.086    7060.401      3.399  0  0
   2880 {?}    7.538  0.029  0.021 {?}  112.833  1.124  0.883 {?}    7.292  0.134  0.192     857.435      3.925  0  0
   2881 {?}    7.539  0.037  0.026 {?}  112.844  0.970  0.580 {?}    7.039  0.105  0.151    2023.774      3.448  0  0
   2882 {103.H}    7.538  0.024  0.016 {103.N}  112.815  0.923  0.580 {103.HD1}    6.554  0.134  0.192    1497.806      3.687  0  0
   2883 {?}    7.537  0.037  0.046 {?}  112.824  0.732  0.853 {?}    6.217  0.126  0.156     268.935      6.314  0  0
   2884 {?}    7.536  0.036  0.021 {?}  112.793  0.641  0.279 {?}    6.048  0.232  0.331     477.976      3.333  0  0
   2885 {103.H}    7.539  0.028  0.025 {103.N}  112.821  0.627  0.547 {102.H}    5.904  0.211  0.301    1184.231      4.627  0  0
   2886 {?}    7.539  0.027  0.021 {?}  112.784  0.662  0.439 {?}    5.296  0.134  0.192     498.464      3.899  0  0
   2887 {?}    7.539  0.026  0.024 {?}  112.849  0.900  0.832 {?}    5.142  0.070  0.133     416.467      4.733  0  0
   2888 {103.H}    7.539  0.023  0.011 {103.N}  112.837  0.893  0.436 {103.HA}    4.727  0.175  0.088     220.967      3.365  0  0
   2889 {?}    7.539  0.027  0.017 {?}  112.849  1.037  0.668 {?}    4.187  0.076  0.053     710.405      3.568  0  0
   2890 {103.H}    7.536  0.027  0.013 {103.N}  112.872  0.786  0.234 {104.HA2}    4.061  0.036  0.025     568.367      3.032  0  0
   2891 {103.H}    7.539  0.027  0.006 {103.N}  112.826  0.895  0.123 {104.HA3}    3.789  0.170  0.052    1074.343      2.777  0  0
   2892 {?}    7.540  0.021  0.004 {?}  112.841  1.019  0.180 {?}    3.532  0.064  0.044     549.216      2.806  0  0
   2893 {103.H}    7.539  0.027  0.016 {103.N}  112.830  1.002  0.499 {103.HB2}    3.288  0.190  0.271    1602.531      3.445  0  0
   2894 {103.H}    7.541  0.043  0.014 {103.N}  112.854  0.791  0.214 {129.HB2}    3.121  0.147  0.211     232.380      2.981  0  0
   2895 {?}    7.540  0.027  0.041 {?}  112.849  0.565  0.882 {?}    2.725  0.147  0.211     216.065      8.692  0  0
   2896 {?}    7.539  0.035  0.037 {?}  112.846  0.685  0.791 {?}    2.545  0.104  0.113    1276.820      5.824  0  0
   2897 {?}    7.539  0.040  0.026 {?}  112.821  0.848  0.625 {?}    1.966  0.147  0.211     834.394      3.885  0  0
   2898 {?}    7.540  0.031  0.050 {?}  112.832  0.503  0.836 {?}    1.447  0.105  0.151    1857.461     10.207  0  0
   2899 {?}    7.539  0.029  0.041 {?}  112.867  0.750  0.934 {?}    1.141  0.068  0.077     268.209      7.077  0  0
   2900 {?}    7.539  0.020  0.054 {?}  112.858  0.911  1.053 {?}    0.857  0.094  0.107    2484.623      6.572  0  0
   2901 {?}    7.539  0.033  0.044 {?}  112.822  0.855  1.144 {?}    0.597  0.086  0.109    1242.872      8.724  0  0
   2902 {103.H}    7.539  0.033  0.044 {103.N}  112.846  0.855  1.144 {102.HB3}    0.487  0.086  0.109    1757.638      8.724  0  0
   2903 {?}    7.539  0.036  0.047 {?}  112.810  0.740  0.982 {?}    0.237  0.072  0.088     932.174      7.430  0  0
   2904 {3.H}    9.085  0.032  0.048 {3.N}  112.455  0.891  1.215 {3.H}    9.082  0.073  0.102    4217.755      9.477  0  0
   2905 {?}    9.084  0.034  0.059 {?}  112.468  0.714  1.170 {?}    8.912  0.103  0.194    1272.247     17.664  0  0
   2906 {3.H}    9.085  0.028  0.026 {3.N}  112.470  0.822  0.766 {7.H}    7.988  0.054  0.110     697.688      4.754  0  0
   2907 {?}    6.789  0.043  0.097 {?}  112.669  0.797  1.268 {?}    7.510  0.123  0.296      43.903     13.178  0  0
   2908 {?}    9.083  0.033  0.062 {?}  112.467  0.718  1.215 {?}    7.282  0.093  0.192     167.120     16.760  0  0
   2909 {?}    6.878  0.027  0.029 {?}  112.699  0.925  0.972 {?}    6.871  0.138  0.146    1442.889      5.565  0  0
   2910 {?}    6.855  0.039  0.093 {?}  112.727  0.746  1.079 {?}    6.846  0.147  0.211    1130.951     10.391  0  0
   2911 {?}    7.520  0.040  0.057 {?}  112.689  0.749  1.112 {?}    6.789  0.045  0.128     147.889      9.671  0  0
   2912 {?}    6.790  0.027  0.013 {?}  112.613  0.852  0.354 {?}    6.781  0.145  0.057     342.981      3.295  0  0
   2913 {?}    9.081  0.025  0.011 {?}  112.536  1.272  0.501 {?}    5.196  0.095  0.043     100.216      3.161  0  0
   2914 {3.H}    9.084  0.037  0.040 {3.N}  112.468  0.793  0.880 {3.HB}    4.664  0.053  0.128     449.791      5.848  0  0
   2915 {?}    9.085  0.038  0.067 {?}  112.494  0.756  1.207 {?}    4.547  0.092  0.170     451.247     16.337  0  0
   2916 {?}    9.086  0.034  0.040 {?}  112.477  0.811  1.052 {?}    2.564  0.077  0.099    1162.085      7.254  0  0
   2917 {?}    9.087  0.034  0.037 {?}  112.500  0.791  0.850 {?}    1.965  0.137  0.146     384.833      5.632  0  0
   2918 {?}    9.085  0.036  0.062 {?}  112.459  0.759  1.178 {?}    1.410  0.099  0.176    2874.716     13.500  0  0
   2919 {?}    9.085  0.033  0.047 {?}  112.457  0.810  1.038 {?}    1.249  0.120  0.169    2673.403      7.790  0  0
   2920 {?}    9.076  0.035  0.048 {?}  112.454  0.779  1.069 {?}    0.678  0.128  0.183      61.029      8.946  0  0
   2921 {3.H}    9.085  0.024  0.052 {3.N}  112.443  0.612  1.358 {132.HD21}    0.530  0.050  0.158     131.814     18.924  0  0
   2922 {3.H 3.H}    9.082  0.040  0.048 {3.N 3.N}  112.535  0.747  0.943 {7.HG 7.HD12}    0.292  0.079  0.192     119.161      7.486  0  0
   2923 {3.H}    9.083  0.034  0.049 {3.N}  112.436  0.791  1.101 {6.H}    7.441  0.050  0.192    1015.325      9.484  0  0
   2924 {?}    9.076  0.037  0.052 {?}  112.410  0.963  1.116 {?}    3.336  0.147  0.211      81.054      6.711  0  0
   2925 {3.H}    9.085  0.037  0.110 {3.N}  112.427  0.742  1.242 {6.HB3}    2.962  0.175  0.331    1570.766     15.021  0  0
   2926 {3.H}    9.085  0.036  0.071 {3.N}  112.434  0.775  1.280 {2.HB3}    1.644  0.168  0.331    2714.829     15.770  0  0
   2927 {144.H}    8.950  0.031  0.090 {144.N}  111.575  0.561  1.626 {141.H}    9.346  0.172  0.246      61.931     32.415  0  0
   2928 {144.H}    8.951  0.023  0.006 {144.N}  111.616  1.016  0.253 {144.H}    8.951  0.096  0.029    5706.550      2.924  0  0
   2929 {144.H}    8.951  0.028  0.078 {144.N}  111.609  0.994  1.958 {143.H}    8.816  0.190  0.271    2274.660     32.237  0  0
   2930 {?}    8.950  0.043  0.127 {?}  111.631  0.818  1.349 {?}    8.684  0.108  0.243     638.389     16.820  0  0
   2931 {?}    8.953  0.035  0.069 {?}  111.625  0.768  1.417 {?}    8.531  0.106  0.211     818.823     18.764  0  0
   2932 {144.H}    8.950  0.041  0.082 {144.N}  111.636  0.742  1.427 {146.H}    8.433  0.108  0.177     859.954     29.506  0  0
   2933 {144.H}    8.949  0.037  0.039 {144.N}  111.599  0.655  0.709 {142.HE22}    8.053  0.102  0.146      94.214      5.658  0  0
   2934 {?}    8.951  0.039  0.104 {?}  111.771  0.715  1.744 {?}    7.909  0.101  0.144      27.305     36.086  0  0
   2935 {?}    7.679  0.033  0.097 {?}  111.555  0.725  1.446 {?}    7.674  0.072  0.148    1169.966     36.460  0  0
   2936 {?}    6.927  0.026  0.037 {?}  111.534  0.538  0.920 {?}    7.674  0.033  0.102    2529.077     10.026  0  0
   2937 {?}    8.946  0.040  0.105 {?}  111.524  0.641  1.478 {?}    7.379  0.029  0.131     100.996     29.559  0  0
   2938 {?}    8.948  0.036  0.087 {?}  111.620  0.791  1.456 {?}    7.101  0.147  0.211      38.558     25.779  0  0
   2939 {?}    7.679  0.034  0.084 {?}  111.567  0.831  1.866 {?}    6.923  0.105  0.151    2204.337     36.221  0  0
   2940 {?}    6.927  0.033  0.073 {?}  111.531  0.854  1.473 {?}    6.924  0.105  0.151    7244.156     15.453  0  0
   2941 {?}    6.927  0.033  0.072 {?}  111.568  0.858  1.655 {?}    6.571  0.105  0.151     363.475     24.568  0  0
   2942 {?}    8.951  0.028  0.068 {?}  111.641  0.891  1.935 {?}    6.512  0.043  0.182      22.592     23.574  0  0
   2943 {?}    6.926  0.036  0.057 {?}  111.587  0.641  0.865 {?}    6.429  0.072  0.090     301.587      7.645  0  0
   2944 {?}    8.948  0.029  0.069 {?}  111.527  1.037  1.868 {?}    6.168  0.102  0.151      32.113     27.867  0  0
   2945 {?}    8.952  0.039  0.063 {?}  111.579  0.832  1.207 {?}    5.424  0.099  0.161      73.592     10.815  0  0
   2946 {?}    8.951  0.033  0.057 {?}  111.580  0.910  1.432 {?}    5.247  0.110  0.174     125.901     12.430  0  0
   2947 {?}    8.951  0.025  0.055 {?}  111.693  0.645  1.304 {?}    5.066  0.061  0.105     179.963     15.986  0  0
   2948 {144.H}    8.947  0.039  0.039 {144.N}  111.587  0.728  0.738 {141.HA}    4.653  0.058  0.058     351.499      5.282  0  0
   2949 {144.H}    8.950  0.033  0.041 {144.N}  111.595  0.937  1.124 {141.HB2}    4.353  0.078  0.095     888.062      7.049  0  0
   2950 {144.H}    8.951  0.023  0.008 {144.N}  111.621  0.976  0.282 {143.HA}    4.171  0.115  0.049    1249.728      3.049  0  0
   2951 {?}    6.923  0.041  0.048 {?}  111.542  0.639  0.786 {?}    4.159  0.079  0.091      45.081      6.601  0  0
   2952 {144.H}    8.952  0.038  0.120 {144.N}  111.618  0.670  1.430 {144.HA2}    3.971  0.075  0.221    1207.313     40.916  0  0
   2953 {?}    8.952  0.032  0.043 {?}  111.622  0.574  0.866 {?}    3.807  0.091  0.116     973.186      8.523  0  0
   2954 {?}    6.925  0.032  0.183 {?}  111.524  0.627  0.895 {?}    3.652  0.095  0.150      21.799    115.080  0  0
   2955 {?}    6.924  0.032  0.183 {?}  111.522  0.627  0.895 {?}    2.662  0.095  0.150      22.258    115.080  0  0
   2956 {144.H}    8.951  0.039  0.061 {144.N}  111.598  0.752  1.046 {146.HG2}    2.507  0.068  0.107     349.822      9.730  0  0
   2957 {?}    7.679  0.036  0.082 {?}  111.565  0.579  1.112 {?}    2.483  0.105  0.151     527.083     14.303  0  0
   2958 {?}    6.927  0.035  0.061 {?}  111.550  0.643  1.212 {?}    2.474  0.092  0.175     882.170     15.463  0  0
   2959 {?}    7.678  0.033  0.137 {?}  111.581  0.632  1.374 {?}    2.373  0.073  0.271     286.017     42.454  0  0
   2960 {?}    6.929  0.030  0.045 {?}  111.586  0.669  1.054 {?}    2.213  0.147  0.211     379.580     10.167  0  0
   2961 {?}    8.951  0.032  0.063 {?}  111.630  0.649  1.141 {?}    2.092  0.102  0.211    1572.041     13.124  0  0
   2962 {?}    6.927  0.035  0.058 {?}  111.521  0.860  1.236 {?}    1.933  0.103  0.155     105.618     10.920  0  0
   2963 {?}    7.676  0.035  0.051 {?}  111.590  0.520  0.687 {?}    1.913  0.116  0.158       7.897      7.672  0  0
   2964 {?}    8.950  0.027  0.012 {?}  111.616  0.817  0.331 {?}    1.894  0.147  0.211     225.290      3.227  0  0
   2965 {144.H}    8.950  0.036  0.054 {144.N}  111.586  0.866  1.213 {146.HB2}    1.720  0.102  0.190     153.589     10.750  0  0
   2966 {144.H}    8.952  0.030  0.017 {144.N}  111.619  0.861  0.531 {143.HB1}    1.455  0.190  0.271    2639.524      3.491  0  0
   2967 {144.H 144.H}    8.951  0.034  0.023 {144.N 144.N}  111.607  0.811  0.521 {145.HD21 145.HD23}    0.955  0.190  0.271     926.851      3.878  0  0
   2968 {144.H 144.H 144.H}    8.953  0.034  0.026 {144.N 144.N 144.N}  111.577  0.751  0.487 {140.HG11 140.HG12 140.HG13}    0.764  0.190  0.271     160.972      3.875  0  0
   2969 {?}    8.952  0.026  0.020 {?}  111.608  0.706  0.525 {?}    0.191  0.104  0.182     552.611      4.182  0  0
   2970 {?}    6.928  0.034  0.028 {?}  111.480  0.630  0.494 {?}    6.179  0.147  0.211      70.652      4.285  0  0
   2971 {?}    6.928  0.025  0.024 {?}  111.448  0.833  0.798 {?}    4.535  0.172  0.246      20.407      4.898  0  0
   2972 {?}    7.678  0.031  0.036 {?}  111.493  0.843  0.917 {?}    2.215  0.172  0.246     234.474      5.902  0  0
   2973 {?}    6.931  0.036  0.025 {?}  111.498  0.774  0.493 {?}    1.173  0.147  0.211      37.426      3.689  0  0
   2974 {84.H}    9.484  0.030  0.055 {84.N}  111.051  0.656  1.146 {84.H}    9.485  0.131  0.240    3404.943     16.063  0  0
   2975 {?}    9.481  0.037  0.072 {?}  110.967  0.618  1.178 {?}    8.968  0.068  0.111      52.252     17.028  0  0
   2976 {84.H}    9.483  0.031  0.070 {84.N}  111.058  0.610  1.253 {50.H}    8.682  0.075  0.133     871.808     22.122  0  0
   2977 {?}    9.483  0.030  0.043 {?}  111.038  0.622  0.949 {?}    7.481  0.067  0.089     757.038      8.498  0  0
   2978 {?}    9.484  0.029  0.012 {?}  111.059  0.877  0.371 {?}    7.135  0.082  0.031    1105.457      3.122  0  0
   2979 {?}    9.485  0.030  0.022 {?}  111.077  1.088  0.852 {?}    6.943  0.087  0.067      59.473      3.999  0  0
   2980 {?}    9.488  0.038  0.069 {?}  111.023  0.563  1.109 {?}    4.922  0.099  0.167     146.568     15.098  0  0
   2981 {?}    9.487  0.038  0.069 {?}  111.099  0.563  1.109 {?}    4.728  0.099  0.167     159.761     15.098  0  0
   2982 {?}    9.482  0.035  0.062 {?}  111.057  0.612  1.165 {?}    4.335  0.095  0.174     405.484     14.251  0  0
   2983 {?}    9.482  0.035  0.064 {?}  111.150  0.703  1.126 {?}    4.007  0.105  0.151     112.389     14.282  0  0
   2984 {84.H}    9.483  0.032  0.059 {84.N}  111.058  0.612  1.118 {83.HB2}    3.466  0.105  0.151    1919.696     13.310  0  0
   2985 {84.H}    9.483  0.032  0.059 {84.N}  111.048  0.612  1.118 {84.HA2}    3.177  0.105  0.151    1837.880     13.310  0  0
   2986 {84.H}    9.483  0.038  0.068 {84.N}  111.053  0.715  1.163 {83.HB3}    3.031  0.105  0.151     753.405     15.374  0  0
   2987 {?}    9.486  0.033  0.128 {?}  111.044  0.619  1.309 {?}    2.197  0.147  0.211     222.948     27.769  0  0
   2988 {?}    9.483  0.039  0.082 {?}  111.009  0.832  1.563 {?}    1.948  0.066  0.207     182.611     21.024  0  0
   2989 {?}    9.482  0.032  0.088 {?}  111.061  0.607  1.331 {?}    1.659  0.063  0.090    1530.571     28.701  0  0
   2990 {?}    9.482  0.038  0.103 {?}  111.035  0.662  1.356 {?}    1.427  0.132  0.274     818.146     36.193  0  0
   2991 {84.H}    9.481  0.032  0.146 {84.N}  111.105  0.604  1.358 {50.HB3}    1.251  0.134  0.192     316.221     44.022  0  0
   2992 {?}    9.488  0.032  0.160 {?}  110.985  0.605  1.579 {?}    0.993  0.099  0.151      81.880     54.443  0  0
   2993 {?}    9.484  0.041  0.051 {?}  111.051  0.576  0.757 {?}    0.761  0.144  0.178     738.254      7.278  0  0
   2994 {?}    9.481  0.033  0.155 {?}  111.053  0.589  1.353 {?}    0.625  0.088  0.192     809.668     42.381  0  0
   2995 {?}    9.483  0.029  0.057 {?}  111.052  0.693  1.367 {?}    0.407  0.105  0.151    1753.748     15.165  0  0
   2996 {?}    7.883  0.032  0.073 {?}  110.334  0.639  1.110 {?}    7.872  0.071  0.114      19.263     15.386  0  0
   2997 {127.H}    9.096  0.041  0.074 {127.N}  110.095  0.648  1.123 {127.H}    9.091  0.157  0.226    4856.408     14.613  0  0
   2998 {?}    9.095  0.041  0.074 {?}  110.117  0.648  1.123 {?}    8.843  0.157  0.226     475.913     14.613  0  0
   2999 {?}    9.094  0.032  0.128 {?}  110.103  0.587  1.339 {?}    8.722  0.075  0.175     405.208     38.525  0  0
   3000 {127.H}    9.097  0.031  0.084 {127.N}  110.052  0.605  1.323 {125.H}    8.525  0.084  0.143     201.008     29.073  0  0
   3001 {127.H}    9.101  0.031  0.084 {127.N}  110.131  0.605  1.323 {142.HE22}    8.061  0.084  0.143     104.239     29.073  0  0
   3002 {?}    9.091  0.032  0.088 {?}  110.056  0.531  1.183 {?}    7.444  0.065  0.146     129.473     25.165  0  0
   3003 {127.H}    9.096  0.033  0.085 {127.N}  110.089  0.568  1.344 {128.H}    6.947  0.075  0.158     433.563     38.709  0  0
   3004 {?}    9.096  0.033  0.066 {?}  110.101  0.709  1.216 {?}    5.415  0.086  0.167    1122.603     21.587  0  0
   3005 {?}    9.095  0.034  0.135 {?}  110.106  0.670  1.882 {?}    4.891  0.098  0.224     281.099     74.726  0  0
   3006 {?}    9.096  0.032  0.066 {?}  110.150  0.549  1.238 {?}    4.774  0.110  0.156     530.807     20.796  0  0
   3007 {?}    9.098  0.034  0.071 {?}  110.090  0.617  1.116 {?}    4.368  0.105  0.151     241.954     16.934  0  0
   3008 {127.H}    9.097  0.035  0.053 {127.N}  110.151  0.617  1.018 {41.HA2}    4.210  0.091  0.360      54.327     10.525  0  0
   3009 {?}    9.095  0.018  0.005 {?}  110.072  0.918  0.286 {?}    3.708  0.091  0.032     262.581      3.046  0  0
   3010 {127.H}    9.095  0.029  0.027 {127.N}  110.111  0.659  0.624 {126.HD3}    3.422  0.161  0.149     372.714      4.953  0  0
   3011 {127.H}    9.095  0.030  0.059 {127.N}  110.073  0.564  1.132 {126.HD2}    3.294  0.084  0.147     305.540     18.080  0  0
   3012 {?}    9.092  0.034  0.035 {?}  110.139  0.642  0.689 {?}    3.134  0.105  0.151     141.136      5.626  0  0
   3013 {?}    9.099  0.038  0.046 {?}  110.127  0.593  0.739 {?}    2.810  0.140  0.211     408.936      6.692  0  0
   3014 {?}    9.095  0.025  0.015 {?}  110.099  0.887  0.466 {?}    2.251  0.123  0.175    2142.555      3.429  0  0
   3015 {127.H}    9.096  0.029  0.020 {127.N}  110.097  0.650  0.418 {126.HB3}    1.995  0.147  0.211    3359.804      3.845  0  0
   3016 {?}    9.096  0.035  0.028 {?}  110.099  0.723  0.590 {?}    1.842  0.184  0.110    1042.282      4.397  0  0
   3017 {127.H 127.H}    9.096  0.026  0.021 {127.N 127.N}  110.086  0.805  0.599 {126.HG2 126.HG3}    1.708  0.147  0.211    1244.611      4.162  0  0
   3018 {?}    9.096  0.044  0.022 {?}  110.107  0.768  0.236 {?}    1.350  0.147  0.211     763.656      3.075  0  0
   3019 {?}    9.094  0.034  0.025 {?}  110.114  0.792  0.632 {?}    1.167  0.134  0.192     144.996      3.907  0  0
   3020 {127.H}    9.096  0.030  0.024 {127.N}  110.098  0.677  0.459 {127.HG21}    0.957  0.134  0.192    4036.165      3.941  0  0
   3021 {127.H}    9.096  0.038  0.022 {127.N}  110.095  0.955  0.589 {127.HG11}    0.786  0.118  0.169    1461.718      3.741  0  0
   3022 {?}    8.631  0.028  0.022 {?}  109.784  0.692  0.506 {?}    9.145  0.147  0.211     889.712      4.111  0  0
   3023 {44.H}    8.216  0.048  0.050 {44.N}  109.705  0.728  0.767 {43.H}    9.149  0.105  0.151    1156.593      5.484  0  0
   3024 {63.H}    8.631  0.029  0.036 {63.N}  109.784  0.536  0.660 {62.H}    8.927  0.054  0.068     484.789      6.792  0  0
   3025 {63.H}    8.631  0.044  0.013 {63.N}  109.789  0.269  0.128 {63.H}    8.641  0.102  0.063    4552.414      3.425  0  0
   3026 {44.H}    8.216  0.030  0.061 {44.N}  109.764  0.612  1.137 {63.H}    8.641  0.138  0.191     199.422     17.890  0  0
   3027 {44.H}    8.216  0.036  0.049 {44.N}  109.704  0.672  0.993 {44.H}    8.224  0.145  0.182    7416.002      9.153  0  0
   3028 {63.H}    8.632  0.044  0.010 {63.N}  109.787  0.807  0.201 {64.H}    8.207  0.238  0.071     516.260      2.957  0  0
   3029 {?}    8.208  0.022  0.014 {?}  109.814  0.931  0.609 {?}    7.698  0.096  0.057      21.478      3.608  0  0
   3030 {63.H}    8.629  0.032  0.103 {63.N}  109.825  0.537  1.347 {65.H}    7.670  0.088  0.171     229.121     62.243  0  0
   3031 {?}    8.214  0.033  0.025 {?}  109.650  0.663  0.463 {?}    7.546  0.108  0.068     104.207      4.007  0  0
   3032 {?}    8.629  0.029  0.025 {?}  109.776  0.658  0.540 {?}    7.497  0.231  0.190     103.867      4.420  0  0
   3033 {?}    8.223  0.029  0.034 {?}  109.732  0.581  0.675 {?}    7.446  0.274  0.391     173.450      6.225  0  0
   3034 {?}    8.634  0.032  0.049 {?}  109.789  0.556  0.845 {?}    7.380  0.147  0.211     279.733      8.808  0  0
   3035 {?}    8.636  0.033  0.109 {?}  109.856  0.645  1.585 {?}    7.228  0.139  0.227      40.349     68.731  0  0
   3036 {?}    8.218  0.037  0.058 {?}  109.715  0.464  0.682 {?}    7.115  0.103  0.150     397.852      9.867  0  0
   3037 {?}    8.626  0.034  0.091 {?}  109.891  0.686  1.609 {?}    6.960  0.137  0.236       5.382     55.104  0  0
   3038 {?}    8.217  0.034  0.048 {?}  109.707  0.686  0.974 {?}    6.952  0.147  0.211     561.653      8.296  0  0
   3039 {44.H}    8.217  0.035  0.087 {44.N}  109.666  0.648  1.355 {46.HD22}    6.568  0.079  0.180     105.031     37.164  0  0
   3040 {?}    8.218  0.034  0.040 {?}  109.710  0.650  0.786 {?}    5.791  0.085  0.105     323.799      6.962  0  0
   3041 {?}    8.215  0.030  0.052 {?}  109.639  0.691  1.060 {?}    5.301  0.068  0.096      98.105     10.648  0  0
   3042 {?}    8.632  0.027  0.019 {?}  109.750  0.854  0.534 {?}    5.030  0.062  0.039     165.536      3.706  0  0
   3043 {?}    8.216  0.028  0.055 {?}  109.723  0.605  1.039 {?}    5.014  0.072  0.106     358.092     12.382  0  0
   3044 {?}    8.628  0.027  0.067 {?}  109.778  0.640  1.272 {?}    4.912  0.082  0.153     246.408     26.602  0  0
   3045 {?}    8.214  0.034  0.056 {?}  109.660  0.773  1.171 {?}    4.747  0.079  0.125     113.646     13.546  0  0
   3046 {?}    8.630  0.030  0.071 {?}  109.807  0.677  1.325 {?}    4.661  0.105  0.151     480.959     27.008  0  0
   3047 {?}    8.631  0.029  0.160 {?}  109.735  0.642  1.994 {?}    4.272  0.082  0.116     859.270    167.204  0  0
   3048 {44.H}    8.215  0.034  0.122 {44.N}  109.695  0.988  3.015 {42.HA2}    4.232  0.082  0.331     873.676    140.787  0  0
   3049 {?}    8.216  0.034  0.122 {?}  109.710  0.988  3.015 {?}    4.111  0.082  0.331    1209.794    140.787  0  0
   3050 {63.H}    8.631  0.030  0.050 {63.N}  109.790  0.682  1.012 {63.HA3}    4.063  0.096  0.137     835.557      9.587  0  0
   3051 {?}    8.631  0.026  0.037 {?}  109.788  0.737  1.053 {?}    3.938  0.105  0.151    1771.376      9.223  0  0
   3052 {?}    8.631  0.031  0.113 {?}  109.783  0.656  1.624 {?}    3.426  0.060  0.168    2130.949     77.043  0  0
   3053 {?}    8.215  0.035  0.138 {?}  109.705  0.923  2.050 {?}    3.353  0.086  0.157     232.321     43.821  0  0
   3054 {63.H}    8.633  0.035  0.138 {63.N}  109.747  0.923  2.050 {45.HE3}    3.227  0.086  0.157     111.895     43.821  0  0
   3055 {63.H}    8.631  0.047  0.067 {63.N}  109.754  0.818  1.413 {43.HB2}    3.127  0.066  0.122      15.466     18.668  0  0
   3056 {?}    8.216  0.047  0.067 {?}  109.710  0.818  1.413 {?}    3.116  0.066  0.122    1873.629     18.668  0  0
   3057 {?}    8.216  0.028  0.044 {?}  109.704  0.629  1.023 {?}    2.962  0.112  0.222     759.826     10.943  0  0
   3058 {63.H}    8.631  0.042  0.041 {63.N}  109.810  0.673  0.630 {64.HG3}    2.272  0.105  0.151     320.998      4.907  0  0
   3059 {63.H}    8.633  0.032  0.077 {63.N}  109.813  0.654  1.265 {64.HG2}    2.135  0.064  0.128     480.348     42.765  0  0
   3060 {?}    8.216  0.034  0.014 {?}  109.734  0.778  0.277 {?}    1.977  0.061  0.052     932.793      3.136  0  0
   3061 {63.H}    8.631  0.032  0.173 {63.N}  109.790  0.842  1.718 {62.HB2}    1.877  0.080  0.115    1539.787    173.523  0  0
   3062 {?}    8.216  0.025  0.025 {?}  109.699  0.499  0.486 {?}    1.737  0.190  0.271     518.933      5.077  0  0
   3063 {63.H}    8.631  0.028  0.027 {63.N}  109.793  0.540  0.521 {62.HB3}    1.707  0.084  0.081    1867.246      5.042  0  0
   3064 {?}    8.632  0.022  0.006 {?}  109.784  0.813  0.219 {?}    1.582  0.110  0.123     794.196      2.967  0  0
   3065 {?}    8.631  0.029  0.049 {?}  109.789  0.764  1.315 {?}    1.159  0.105  0.151     831.678     15.113  0  0
   3066 {?}    8.215  0.021  0.004 {?}  109.705  0.662  0.126 {?}    1.128  0.134  0.192     532.855      2.880  0  0
   3067 {?}    8.631  0.031  0.050 {?}  109.786  0.705  0.940 {?}    0.908  0.063  0.090    3339.775      8.927  0  0
   3068 {?}    8.215  0.024  0.011 {?}  109.698  0.445  0.553 {?}    0.901  0.145  0.070    1270.528      3.359  0  0
   3069 {?}    8.216  0.027  0.033 {?}  109.695  0.921  1.097 {?}    0.803  0.134  0.192     838.806      6.511  0  0
   3070 {63.H}    8.632  0.033  0.036 {63.N}  109.791  0.412  0.947 {44.HG22}    0.570  0.105  0.151     419.488      5.527  0  0
   3071 {44.H}    8.216  0.022  0.014 {44.N}  109.702  0.919  0.500 {44.HG23}    0.571  0.090  0.106    2458.581      3.382  0  0
   3072 {?}    7.681  0.029  0.026 {?}  109.427  0.709  0.599 {?}    4.819  0.190  0.271      75.853      4.553  0  0
   3073 {?}    7.682  0.032  0.041 {?}  109.106  0.896  1.089 {?}    9.689  0.074  0.091       5.440      7.353  0  0
   3074 {132.H}    7.682  0.034  0.013 {132.N}  109.166  0.867  0.188 {132.H}    7.681  0.147  0.211    3295.466      2.895  0  0
   3075 {?}    7.682  0.028  0.022 {?}  109.174  1.318  1.093 {?}    7.553  0.230  0.328    1036.977      3.828  0  0
   3076 {?}    7.682  0.028  0.024 {?}  109.180  0.773  0.574 {?}    7.284  0.274  0.391     339.288      4.338  0  0
   3077 {132.H}    7.682  0.030  0.042 {132.N}  109.172  0.626  0.912 {133.H}    7.077  0.131  0.203    1259.146      8.821  0  0
   3078 {?}    7.682  0.023  0.016 {?}  109.146  0.465  0.740 {?}    6.914  0.172  0.246     288.300      3.817  0  0
   3079 {?}    7.682  0.033  0.018 {?}  109.188  0.402  0.537 {?}    6.550  0.172  0.246     704.757      3.480  0  0
   3080 {?}    7.681  0.026  0.006 {?}  109.227  1.105  0.292 {?}    6.057  0.073  0.054     164.924      2.932  0  0
   3081 {?}    7.682  0.023  0.003 {?}  109.165  1.101  0.199 {?}    5.310  0.205  0.061     194.876      2.801  0  0
   3082 {?}    7.682  0.025  0.011 {?}  109.112  0.473  0.692 {?}    5.174  0.134  0.192     290.806      3.086  0  0
   3083 {?}    7.683  0.030  0.039 {?}  109.220  0.580  0.813 {?}    4.718  0.044  0.125     100.301      8.063  0  0
   3084 {?}    7.678  0.031  0.026 {?}  109.171  0.991  0.821 {?}    3.751  0.210  0.168     299.929      4.234  0  0
   3085 {132.H}    7.682  0.024  0.019 {132.N}  109.161  0.958  0.571 {132.HA}    3.522  0.190  0.271    2526.205      4.167  0  0
   3086 {132.H}    7.683  0.028  0.027 {132.N}  109.160  0.613  0.587 {103.HB2}    3.317  0.096  0.137     700.994      5.006  0  0
   3087 {?}    7.684  0.029  0.019 {?}  109.174  0.721  0.357 {?}    3.105  0.105  0.151      96.890      3.481  0  0
   3088 {?}    7.682  0.027  0.025 {?}  109.135  0.784  0.725 {?}    2.737  0.105  0.151     332.202      4.810  0  0
   3089 {132.H}    7.682  0.029  0.028 {132.N}  109.167  0.698  0.664 {103.HB3}    2.553  0.105  0.151     286.050      4.951  0  0
   3090 {132.H 132.H}    7.682  0.024  0.017 {132.N 132.N}  109.169  0.995  0.701 {131.HB2 132.HB2}    2.239  0.071  0.108    1526.658      3.663  0  0
   3091 {132.H}    7.681  0.024  0.032 {132.N}  109.181  0.774  1.026 {131.HB3}    2.054  0.071  0.178     986.238      7.246  0  0
   3092 {132.H}    7.682  0.025  0.027 {132.N}  109.162  0.572  0.632 {132.HB3}    1.671  0.147  0.211    1246.763      5.822  0  0
   3093 {?}    7.682  0.034  0.035 {?}  109.169  0.859  0.890 {?}    1.445  0.147  0.211    2663.049      5.450  0  0
   3094 {132.H}    7.681  0.037  0.051 {132.N}  109.167  0.957  1.136 {132.HG}    1.129  0.096  0.137    1016.352      7.046  0  0
   3095 {?}    7.683  0.034  0.043 {?}  109.172  0.621  0.866 {?}    0.849  0.062  0.156    1602.238      7.756  0  0
   3096 {132.H 132.H}    7.682  0.034  0.050 {132.N 132.N}  109.171  0.762  1.199 {132.HD12 132.HD13}    0.594  0.045  0.124    2342.617      8.915  0  0
   3097 {?}    7.682  0.031  0.043 {?}  109.163  0.954  1.562 {?}    0.215  0.105  0.151     520.792      8.735  0  0
   3098 {153.H}    7.868  0.033  0.063 {153.N}  108.824  0.738  1.277 {150.H}    8.296  0.027  0.084      73.832     13.001  0  0
   3099 {?}    7.874  0.031  0.057 {?}  108.881  0.702  1.097 {?}    8.145  0.171  0.285     122.169     13.796  0  0
   3100 {153.H}    7.874  0.032  0.083 {153.N}  108.914  0.687  1.718 {153.H}    7.870  0.076  0.120    8657.570     32.087  0  0
   3101 {?}    7.872  0.030  0.083 {?}  108.916  0.635  1.328 {?}    7.615  0.058  0.106     506.661     32.750  0  0
   3102 {?}    7.874  0.039  0.062 {?}  108.884  0.921  1.435 {?}    7.487  0.086  0.132     371.486     11.412  0  0
   3103 {153.H}    7.873  0.039  0.062 {153.N}  108.926  0.921  1.435 {152.H}    7.098  0.086  0.132    2470.980     11.412  0  0
   3104 {?}    7.874  0.036  0.044 {?}  108.932  0.675  0.993 {?}    6.828  0.068  0.079     387.154      7.252  0  0
   3105 {?}    7.872  0.031  0.076 {?}  108.914  0.648  1.717 {?}    6.591  0.074  0.142     900.412     20.388  0  0
   3106 {?}    7.868  0.033  0.085 {?}  108.986  0.739  1.874 {?}    6.454  0.124  0.219     424.141     29.127  0  0
   3107 {?}    7.871  0.025  0.013 {?}  108.871  1.020  0.459 {?}    6.321  0.070  0.029     449.367      3.272  0  0
   3108 {?}    7.873  0.035  0.071 {?}  108.906  0.741  1.279 {?}    5.811  0.097  0.232     477.240     21.006  0  0
   3109 {?}    7.877  0.036  0.055 {?}  108.885  0.709  1.313 {?}    5.655  0.190  0.271     268.584     11.776  0  0
   3110 {?}    7.874  0.032  0.058 {?}  108.952  0.809  1.173 {?}    5.470  0.055  0.093     560.931     11.864  0  0
   3111 {?}    7.870  0.032  0.043 {?}  108.884  0.693  0.923 {?}    5.288  0.103  0.155     501.819      8.488  0  0
   3112 {?}    7.872  0.029  0.062 {?}  108.886  0.639  1.223 {?}    5.036  0.095  0.168     680.362     19.505  0  0
   3113 {?}    7.872  0.031  0.072 {?}  108.907  0.624  1.158 {?}    4.866  0.097  0.171     661.473     18.323  0  0
   3114 {?}    7.873  0.035  0.048 {?}  108.914  0.689  0.967 {?}    4.485  0.104  0.169    1246.220      9.106  0  0
   3115 {153.H}    7.873  0.029  0.045 {153.N}  108.922  0.618  1.054 {152.HA}    4.266  0.105  0.248    2268.036     11.455  0  0
   3116 {153.H}    7.873  0.030  0.080 {153.N}  108.915  0.663  1.335 {153.HA2}    4.022  0.132  0.331    2346.253     35.256  0  0
   3117 {153.H}    7.873  0.032  0.047 {153.N}  108.914  0.876  1.208 {153.HA3}    3.812  0.061  0.222    1782.531      9.769  0  0
   3118 {77.H}    7.390  0.029  0.046 {77.N}  108.733  0.987  1.453 {74.HB2}    3.059  0.110  0.240      52.199     11.100  0  0
   3119 {153.H}    7.876  0.035  0.051 {153.N}  108.901  0.722  1.031 {149.HB2}    1.979  0.147  0.211     201.071      9.617  0  0
   3120 {?}    7.872  0.036  0.090 {?}  108.938  0.847  1.624 {?}    1.822  0.169  0.321     829.572     24.011  0  0
   3121 {153.H}    7.874  0.030  0.034 {153.N}  108.913  0.663  0.785 {152.HB2}    1.537  0.105  0.151    2153.816      6.189  0  0
   3122 {?}    7.387  0.033  0.159 {?}  108.696  0.673  3.591 {?}    1.530  0.085  0.125      34.963    113.364  0  0
   3123 {?}    7.874  0.030  0.138 {?}  108.870  0.633  1.774 {?}    1.387  0.078  0.130     593.148    164.947  0  0
   3124 {153.H}    7.875  0.030  0.138 {153.N}  108.947  0.633  1.774 {152.HG}    1.252  0.078  0.130     380.710    164.947  0  0
   3125 {?}    7.874  0.033  0.132 {?}  108.918  0.717  1.844 {?}    0.844  0.069  0.180    1959.219    137.336  0  0
   3126 {153.H}    7.871  0.033  0.132 {153.N}  108.933  0.717  1.844 {149.HD22}    0.546  0.069  0.180      52.901    137.336  0  0
   3127 {?}    7.874  0.032  0.060 {?}  108.909  0.691  1.489 {?}    0.388  0.079  0.211     496.481     18.598  0  0
   3128 {?}    7.874  0.044  0.060 {?}  108.930  1.124  1.578 {?}   -0.162  0.049  0.134     361.210      8.307  0  0
   3129 {?}    8.160  0.031  0.030 {?}  108.612  0.731  0.685 {?}    9.476  0.067  0.062      29.550      4.862  0  0
   3130 {54.H}    8.158  0.031  0.030 {54.N}  108.530  0.731  0.685 {51.H}    9.111  0.067  0.062     253.440      4.862  0  0
   3131 {15.H}    7.613  0.037  0.104 {15.N}  108.492  0.730  1.541 {16.H}    8.723  0.087  0.179    2033.222     26.778  0  0
   3132 {?}    7.612  0.024  0.015 {?}  108.541  0.849  0.470 {?}    8.368  0.059  0.026      10.998      3.355  0  0
   3133 {54.H}    8.159  0.035  0.094 {54.N}  108.555  0.795  1.849 {54.H}    8.177  0.077  0.177   10501.990     44.477  0  0
   3134 {15.H}    7.613  0.038  0.078 {15.N}  108.498  0.679  1.172 {13.H}    8.049  0.119  0.204     325.806     21.046  0  0
   3135 {77.H}    7.390  0.030  0.037 {77.N}  108.627  0.680  0.783 {78.H}    7.775  0.088  0.099    2157.818      6.281  0  0
   3136 {54.H}    8.159  0.042  0.048 {54.N}  108.554  0.512  0.580 {52.H}    7.689  0.063  0.077     522.484      6.016  0  0
   3137 {15.H}    7.613  0.038  0.026 {15.N}  108.486  0.588  0.376 {15.H}    7.612  0.116  0.078    7700.899      3.830  0  0
   3138 {96.H}    7.446  0.038  0.054 {96.N}  108.383  0.716  1.049 {96.H}    7.452  0.100  0.159    6091.939     10.442  0  0
   3139 {15.H}    7.613  0.031  0.036 {15.N}  108.487  0.668  0.820 {14.H}    7.412  0.084  0.101    2731.297      6.409  0  0
   3140 {77.H 96.H}    7.390  0.033  0.038 {77.N 96.N}  108.613  0.686  0.794 {77.H 96.H}    7.397  0.053  0.135    9991.388      6.375  0  0
   3141 {?}    7.611  0.031  0.023 {?}  108.498  0.877  0.607 {?}    7.142  0.071  0.100     290.694      3.830  0  0
   3142 {77.H}    7.389  0.037  0.064 {77.N}  108.620  0.631  1.169 {76.H}    7.051  0.102  0.200    1980.102     15.659  0  0
   3143 {?}    7.614  0.030  0.029 {?}  108.542  0.865  0.862 {?}    6.996  0.050  0.109     215.642      5.197  0  0
   3144 {?}    7.389  0.037  0.076 {?}  108.595  0.645  1.161 {?}    6.882  0.104  0.200     386.189     16.651  0  0
   3145 {?}    7.616  0.034  0.068 {?}  108.471  0.755  1.169 {?}    6.854  0.147  0.211     161.397     14.084  0  0
   3146 {?}    8.154  0.031  0.036 {?}  108.526  0.697  0.811 {?}    6.694  0.109  0.124     134.425      5.999  0  0
   3147 {?}    7.610  0.029  0.027 {?}  108.511  0.639  0.582 {?}    6.710  0.096  0.088      98.087      4.788  0  0
   3148 {96.H}    7.390  0.034  0.051 {96.N}  108.582  0.699  0.976 {95.H}    6.536  0.086  0.114     484.881      9.294  0  0
   3149 {?}    7.613  0.027  0.024 {?}  108.469  0.598  0.524 {?}    6.494  0.079  0.144     520.486      4.645  0  0
   3150 {96.H}    7.446  0.030  0.031 {96.N}  108.391  0.779  0.801 {95.H}    6.495  0.145  0.148     540.500      5.401  0  0
   3151 {?}    7.615  0.040  0.043 {?}  108.478  0.810  0.956 {?}    6.362  0.147  0.211     131.887      6.003  0  0
   3152 {?}    8.150  0.029  0.025 {?}  108.590  0.700  0.571 {?}    6.287  0.063  0.110     124.627      4.412  0  0
   3153 {77.H}    7.389  0.037  0.050 {77.N}  108.590  0.856  1.111 {74.H}    6.273  0.092  0.129     681.119      7.795  0  0
   3154 {?}    7.611  0.032  0.064 {?}  108.499  0.636  1.220 {?}    6.190  0.076  0.133     277.355     16.640  0  0
   3155 {?}    7.437  0.038  0.071 {?}  108.413  0.680  1.136 {?}    6.081  0.096  0.264      75.801     15.586  0  0
   3156 {?}    7.382  0.033  0.036 {?}  108.637  0.668  0.776 {?}    5.953  0.080  0.271     311.909      5.998  0  0
   3157 {15.H}    7.611  0.037  0.070 {15.N}  108.436  0.659  1.112 {14.HD2}    5.839  0.077  0.131     378.777     15.417  0  0
   3158 {?}    8.160  0.035  0.071 {?}  108.573  0.657  1.140 {?}    5.792  0.100  0.166      70.409     15.433  0  0
   3159 {?}    7.614  0.028  0.024 {?}  108.444  0.316  0.262 {?}    5.665  0.094  0.080     325.641      4.450  0  0
   3160 {?}    7.390  0.034  0.092 {?}  108.607  0.636  1.241 {?}    5.639  0.105  0.151     775.115     18.128  0  0
   3161 {?}    8.162  0.038  0.086 {?}  108.522  0.597  1.301 {?}    5.470  0.147  0.211     213.864     21.348  0  0
   3162 {?}    7.615  0.036  0.033 {?}  108.485  0.547  0.492 {?}    5.417  0.069  0.138     637.568      4.732  0  0
   3163 {?}    7.389  0.038  0.091 {?}  108.541  0.730  1.536 {?}    5.366  0.107  0.250     474.310     38.094  0  0
   3164 {?}    7.391  0.038  0.069 {?}  108.614  0.784  1.338 {?}    5.211  0.102  0.176     638.800     14.958  0  0
   3165 {?}    7.613  0.035  0.097 {?}  108.487  0.762  1.686 {?}    5.176  0.163  0.272     386.771     38.300  0  0
   3166 {?}    8.160  0.028  0.037 {?}  108.494  0.714  0.907 {?}    5.073  0.107  0.155     483.426      7.805  0  0
   3167 {?}    7.613  0.033  0.056 {?}  108.464  0.671  1.051 {?}    5.057  0.081  0.129     324.988     11.131  0  0
   3168 {?}    8.154  0.040  0.095 {?}  108.521  0.665  1.163 {?}    4.972  0.147  0.211     513.941     19.343  0  0
   3169 {?}    7.610  0.033  0.053 {?}  108.483  0.735  1.094 {?}    4.918  0.105  0.151     180.008     11.185  0  0
   3170 {96.H}    7.390  0.028  0.034 {96.N}  108.584  0.664  0.817 {96.HA}    4.721  0.082  0.095     524.128      6.225  0  0
   3171 {15.H}    7.612  0.026  0.025 {15.N}  108.508  0.647  0.623 {14.HA}    4.688  0.197  0.192     260.914      5.019  0  0
   3172 {?}    7.446  0.038  0.064 {?}  108.445  0.681  1.084 {?}    4.673  0.105  0.151      99.331     14.509  0  0
   3173 {?}    8.159  0.034  0.074 {?}  108.558  0.686  1.169 {?}    4.552  0.105  0.151     850.219     19.749  0  0
   3174 {?}    7.389  0.026  0.017 {?}  108.623  0.609  0.397 {?}    4.337  0.115  0.088    1829.148      3.866  0  0
   3175 {77.H}    7.389  0.036  0.088 {77.N}  108.618  0.689  1.334 {76.HA}    4.128  0.080  0.164    2598.813     33.639  0  0
   3176 {15.H}    7.613  0.035  0.037 {15.N}  108.487  0.585  0.630 {15.HA2}    4.024  0.077  0.082    4678.068      5.641  0  0
   3177 {77.H 77.H}    7.444  0.024  0.039 {77.N 77.N}  108.393  0.640  1.059 {77.HA2 77.HA3}    4.020  0.057  0.106     703.466     12.354  0  0
   3178 {77.H 77.H}    7.390  0.036  0.041 {77.N 77.N}  108.617  0.789  0.901 {77.HA2 77.HA3}    4.002  0.120  0.145    4377.016      6.316  0  0
   3179 {?}    8.063  0.033  0.080 {?}  108.530  0.606  1.446 {?}    3.661  0.085  0.193      10.399     41.888  0  0
   3180 {54.H}    8.159  0.022  0.032 {54.N}  108.557  0.704  0.950 {54.HA3}    3.428  0.085  0.115    2913.576      8.531  0  0
   3181 {?}    7.619  0.035  0.067 {?}  108.444  0.614  1.332 {?}    3.387  0.062  0.162      20.052     32.218  0  0
   3182 {?}    7.441  0.035  0.088 {?}  108.444  0.535  1.293 {?}    3.342  0.060  0.125      44.235     33.402  0  0
   3183 {15.H}    7.609  0.035  0.048 {15.N}  108.477  0.538  0.785 {14.HB2}    3.249  0.099  0.192     346.625      8.728  0  0
   3184 {54.H}    8.159  0.027  0.013 {54.N}  108.558  0.885  0.464 {51.HB2}    3.013  0.035  0.034     605.082      3.289  0  0
   3185 {54.H}    8.160  0.034  0.101 {54.N}  108.565  0.601  1.717 {55.HB2}    2.414  0.084  0.161     344.807     76.779  0  0
   3186 {?}    7.613  0.036  0.048 {?}  108.484  0.810  1.087 {?}    2.405  0.048  0.142     374.994      7.864  0  0
   3187 {?}    7.390  0.035  0.043 {?}  108.639  0.576  0.690 {?}    2.305  0.117  0.151     126.565      6.485  0  0
   3188 {?}    7.446  0.027  0.017 {?}  108.380  0.816  0.467 {?}    2.044  0.101  0.067    3151.776      3.633  0  0
   3189 {96.H}    7.392  0.012  0.010 {96.N}  108.537  0.925  0.209 {95.HB}    2.064  0.131  0.069     924.919      2.913  0  0
   3190 {54.H}    8.159  0.037  0.057 {54.N}  108.561  0.509  0.852 {53.HB3}    2.037  0.096  0.167    2043.004     10.277  0  0
   3191 {15.H}    7.612  0.030  0.026 {15.N}  108.469  0.835  0.726 {16.HB}    1.883  0.134  0.192     188.949      4.466  0  0
   3192 {77.H}    7.390  0.033  0.037 {77.N}  108.593  0.898  0.990 {76.HB}    1.837  0.105  0.151     521.846      6.016  0  0
   3193 {?}    8.158  0.033  0.056 {?}  108.540  0.661  1.200 {?}    1.718  0.138  0.179    1277.440     14.113  0  0
   3194 {?}    7.446  0.018  0.010 {?}  108.436  0.520  0.269 {?}    1.733  0.059  0.091      78.812      3.515  0  0
   3195 {?}    8.159  0.018  0.010 {?}  108.558  0.520  0.269 {?}    1.458  0.059  0.091    1384.066      3.515  0  0
   3196 {?}    7.614  0.034  0.034 {?}  108.497  0.618  0.621 {?}    1.188  0.083  0.083     598.339      5.240  0  0
   3197 {?}    7.446  0.035  0.057 {?}  108.385  0.542  0.950 {?}    1.164  0.085  0.138    2941.162     11.595  0  0
   3198 {54.H}    8.157  0.030  0.066 {54.N}  108.614  0.541  1.204 {50.HG3}    1.121  0.098  0.189     150.491     19.649  0  0
   3199 {15.H}    7.613  0.036  0.066 {15.N}  108.489  0.541  1.110 {16.HG11}    1.030  0.107  0.176     633.760     17.992  0  0
   3200 {77.H}    7.389  0.027  0.024 {77.N}  108.587  0.835  0.776 {76.HG13}    0.889  0.104  0.095    1457.196      4.721  0  0
   3201 {77.H}    7.447  0.032  0.082 {77.N}  108.383  0.519  1.239 {76.HG13}    0.847  0.086  0.172    3607.750     25.428  0  0
   3202 {?}    7.389  0.039  0.034 {?}  108.615  0.582  0.504 {?}    0.777  0.061  0.121    1706.950      4.600  0  0
   3203 {?}    7.445  0.021  0.003 {?}  108.409  0.651  0.101 {?}    0.680  0.090  0.083     744.890      2.826  0  0
   3204 {77.H}    7.389  0.032  0.070 {77.N}  108.616  0.581  1.255 {76.HG12}    0.573  0.099  0.141    4709.099     25.120  0  0
   3205 {?}    7.446  0.036  0.097 {?}  108.395  0.535  1.345 {?}    0.496  0.100  0.327    1726.946     39.842  0  0
   3206 {?}    7.615  0.046  0.054 {?}  108.495  0.536  0.668 {?}    0.192  0.147  0.211     168.503      6.913  0  0
   3207 {77.H 77.H}    7.390  0.037  0.054 {77.N 77.N}  108.618  0.572  0.891 {76.HD11 76.HD13}   -0.486  0.147  0.211     522.508      9.204  0  0
   3208 {142.HE21}    6.133  0.035  0.104 {142.NE2}  108.126  0.604  1.507 {142.H}    9.186  0.144  0.205     167.277     62.049  0  0
   3209 {?}    7.450  0.032  0.157 {?}  108.330  0.500  1.272 {?}    8.231  0.100  0.238     179.762     49.408  0  0
   3210 {?}    6.133  0.036  0.149 {?}  108.119  0.522  1.418 {?}    5.445  0.083  0.161      54.437     87.837  0  0
   3211 {?}    8.055  0.031  0.042 {?}  108.077  0.565  0.857 {?}    5.424  0.032  0.083     119.583      8.936  0  0
   3212 {?}    7.446  0.035  0.086 {?}  108.274  0.586  1.321 {?}    4.555  0.168  0.240      21.367     42.089  0  0
   3213 {?}    7.446  0.036  0.089 {?}  108.376  0.529  1.313 {?}    3.744  0.087  0.238    1408.795     37.353  0  0
   3214 {?}    8.048  0.034  0.044 {?}  108.138  0.633  0.879 {?}    3.130  0.052  0.071      20.048      7.811  0  0
   3215 {?}    7.444  0.029  0.012 {?}  108.347  0.843  0.215 {?}    2.409  0.088  0.034     200.625      2.975  0  0
   3216 {142.HE22}    8.053  0.035  0.027 {142.NE2}  108.087  0.598  0.420 {122.HB1}    1.460  0.069  0.045     539.650      4.020  0  0
   3217 {?}    7.444  0.026  0.051 {?}  108.373  0.527  1.007 {?}    1.433  0.068  0.114     172.777     11.750  0  0
   3218 {142.HE22}    8.052  0.034  0.187 {142.NE2}  108.001  0.739  2.017 {142.H}    9.197  0.076  0.109     244.801    171.181  0  0
   3219 {142.HE22 142.HE22}    8.051  0.034  0.187 {142.NE2 142.NE2}  107.900  0.739  2.017 {127.H 145.H}    9.064  0.076  0.109      58.360    171.181  0  0
   3220 {142.HE22}    8.057  0.034  0.187 {142.NE2}  107.941  0.739  2.017 {143.H}    8.812  0.076  0.109     235.563    171.181  0  0
   3221 {?}    6.132  0.056  0.017 {?}  107.916  0.881  0.505 {?}    8.819  0.103  0.072     102.635      3.662  0  0
   3222 {?}    6.136  0.022  0.037 {?}  107.939  0.706  1.127 {?}    8.587  0.050  0.096     237.921     13.841  0  0
   3223 {?}    8.054  0.037  0.066 {?}  108.019  0.817  1.219 {?}    8.573  0.105  0.151      96.519     12.229  0  0
   3224 {142.HE22}    8.053  0.033  0.159 {142.NE2}  107.937  0.791  2.926 {142.HE22}    8.053  0.079  0.214    2784.166    148.121  0  0
   3225 {142.HE21}    6.133  0.033  0.159 {142.NE2}  108.063  0.791  2.926 {142.HE22}    8.055  0.079  0.214    1983.581    148.121  0  0
   3226 {142.HE22}    8.055  0.037  0.042 {142.NE2}  107.916  0.857  0.981 {124.H}    7.472  0.096  0.137     343.134      6.268  0  0
   3227 {142.HE21}    6.133  0.027  0.086 {142.NE2}  107.999  0.711  1.558 {124.H}    7.466  0.078  0.165     581.506     83.997  0  0
   3228 {76.H 76.H}    7.048  0.039  0.064 {76.N 76.N}  107.781  0.725  1.174 {75.H 77.H}    7.381  0.094  0.271    2713.560     16.350  0  0
   3229 {76.H}    7.048  0.013  0.005 {76.N}  107.768  0.988  0.173 {76.H}    7.051  0.072  0.044    2397.484      2.869  0  0
   3230 {142.HE22}    8.055  0.032  0.044 {142.NE2}  108.042  0.790  1.067 {142.HE21}    6.140  0.101  0.144    2198.271      8.632  0  0
   3231 {142.HE21}    6.134  0.037  0.068 {142.NE2}  107.857  0.698  1.012 {142.HE21}    6.140  0.142  0.203    3287.537     10.576  0  0
   3232 {?}    8.057  0.035  0.101 {?}  108.014  0.717  1.274 {?}    5.876  0.078  0.146      81.351     26.303  0  0
   3233 {?}    7.061  0.030  0.057 {?}  107.910  0.610  1.075 {?}    5.340  0.082  0.125      46.070     11.943  0  0
   3234 {?}    6.130  0.030  0.057 {?}  107.951  0.610  1.075 {?}    5.279  0.082  0.125       7.735     11.943  0  0
   3235 {?}    7.045  0.047  0.082 {?}  107.940  0.781  1.676 {?}    4.983  0.073  0.104      44.602    118.500  0  0
   3236 {?}    6.138  0.047  0.082 {?}  107.949  0.781  1.676 {?}    4.993  0.073  0.104      41.118    118.500  0  0
   3237 {?}    8.048  0.033  0.061 {?}  107.936  0.707  1.126 {?}    4.761  0.095  0.167     230.555     14.390  0  0
   3238 {142.HE21}    6.128  0.029  0.233 {142.NE2}  107.923  0.699  0.999 {124.HA}    4.666  0.077  0.126     223.808    931.858  0  0
   3239 {?}    8.055  0.030  0.058 {?}  108.007  0.537  0.937 {?}    4.465  0.070  0.112     120.113     11.537  0  0
   3240 {?}    6.134  0.035  0.104 {?}  108.021  0.587  1.359 {?}    4.465  0.103  0.151     298.753     46.346  0  0
   3241 {142.HE22}    8.053  0.027  0.050 {142.NE2}  108.001  0.579  1.107 {122.HA}    4.343  0.067  0.118     286.847     11.976  0  0
   3242 {76.H}    7.048  0.039  0.026 {76.N}  107.806  0.464  0.773 {73.HA}    4.348  0.023  0.014     322.089      3.763  0  0
   3243 {142.HE21}    6.136  0.026  0.141 {142.NE2}  107.921  0.715  1.568 {122.HA}    4.347  0.096  0.137     621.483     42.081  0  0
   3244 {76.H}    7.048  0.034  0.036 {76.N}  107.756  0.843  0.919 {76.HA}    4.144  0.105  0.151     224.496      5.637  0  0
   3245 {142.HE22}    8.051  0.022  0.020 {142.NE2}  107.907  0.490  0.453 {142.HA}    4.112  0.105  0.151     129.698      4.849  0  0
   3246 {?}    7.044  0.029  0.137 {?}  107.823  0.628  1.336 {?}    3.937  0.105  0.151     121.351     31.624  0  0
   3247 {76.H}    7.045  0.029  0.067 {76.N}  107.865  0.527  1.481 {75.HA}    3.824  0.077  0.161     430.794     83.024  0  0
   3248 {76.H}    7.047  0.029  0.067 {76.N}  107.844  0.527  1.481 {74.HB2}    3.058  0.077  0.161     200.256     83.024  0  0
   3249 {?}    8.053  0.044  0.064 {?}  107.969  0.765  1.094 {?}    2.806  0.084  0.279    1367.662     10.036  0  0
   3250 {76.H 76.H}    7.048  0.040  0.066 {76.N 76.N}  107.796  0.696  1.258 {73.HB3 74.HB3}    2.831  0.099  0.360      58.363     18.395  0  0
   3251 {?}    6.134  0.031  0.082 {?}  108.026  0.603  1.254 {?}    2.803  0.134  0.192     759.782     25.722  0  0
   3252 {142.HE22}    8.053  0.026  0.037 {142.NE2}  107.963  0.830  2.264 {142.HB3}    2.557  0.093  0.133     959.837     98.574  0  0
   3253 {142.HE21}    6.134  0.059  0.082 {142.NE2}  108.013  0.892  1.666 {142.HB3}    2.554  0.100  0.143     539.165    128.100  0  0
   3254 {?}    8.053  0.059  0.082 {?}  107.962  0.892  1.666 {?}    2.308  0.100  0.143     833.254    128.100  0  0
   3255 {?}    6.133  0.058  0.082 {?}  107.960  0.825  1.827 {?}    2.307  0.105  0.151     745.495     18.383  0  0
   3256 {142.HE22}    8.055  0.032  0.060 {142.NE2}  107.988  0.700  1.097 {142.HB2}    2.113  0.230  0.328     972.734     13.951  0  0
   3257 {?}    6.134  0.028  0.121 {?}  107.999  0.532  1.194 {?}    2.113  0.134  0.192     566.397     25.974  0  0
   3258 {?}    7.047  0.031  0.060 {?}  107.761  0.764  1.632 {?}    2.074  0.070  0.099    1445.439    239.122  0  0
   3259 {76.H}    7.048  0.031  0.060 {76.N}  107.765  0.764  1.632 {76.HB}    1.837  0.070  0.099     640.053    239.122  0  0
   3260 {142.HE21}    6.130  0.024  0.097 {142.NE2}  108.030  0.696  1.128 {127.HB}    1.712  0.105  0.151     189.153     16.456  0  0
   3261 {?}    8.057  0.027  0.034 {?}  108.048  0.812  0.469 {?}    1.605  0.190  0.271      92.764      3.590  0  0
   3262 {?}    6.134  0.027  0.056 {?}  107.924  0.653  1.096 {?}    1.585  0.105  0.151     352.291     13.390  0  0
   3263 {?}    7.047  0.036  0.172 {?}  107.827  0.734  1.837 {?}    1.536  0.090  0.167     426.774     46.106  0  0
   3264 {142.HE21}    6.134  0.047  0.067 {142.NE2}  107.941  0.630  1.080 {122.HB1}    1.457  0.109  0.151     837.922     11.402  0  0
   3265 {142.HE22 142.HE22 142.HE22}    8.051  0.018  0.046 {142.NE2 142.NE2 142.NE2}  108.061  0.804  0.938 {145.HD11 145.HD12 145.HD13}    1.184  0.118  0.298     106.225      6.653  0  0
   3266 {?}    7.050  0.027  0.055 {?}  107.765  0.714  1.071 {?}    1.186  0.105  0.151     165.820     12.286  0  0
   3267 {142.HE21}    6.133  0.027  0.045 {142.NE2}  107.936  0.715  1.027 {145.HD13}    1.178  0.105  0.151     303.181      9.941  0  0
   3268 {142.HE22 142.HE22 142.HE22}    8.053  0.033  0.048 {142.NE2 142.NE2 142.NE2}  107.936  0.688  0.337 {145.HD21 145.HD22 145.HD23}    0.947  0.134  0.192     946.554      3.454  0  0
   3269 {142.HE21 142.HE21 142.HE21 142.HE21}    6.135  0.025  0.009 {142.NE2 142.NE2 142.NE2 142.NE2}  107.947  0.953  0.347 {127.HG23 145.HD21 145.HD22 145.HD23}    0.939  0.134  0.192     751.856      3.136  0  0
   3270 {76.H}    7.049  0.020  0.034 {76.N}  107.778  0.662  0.496 {76.HG13}    0.894  0.119  0.091    3020.770      4.166  0  0
   3271 {142.HE22 142.HE22 142.HE22}    8.054  0.038  0.080 {142.NE2 142.NE2 142.NE2}  107.987  0.728  1.212 {127.HG11 127.HG12 127.HG13}    0.792  0.094  0.151    1361.711     19.537  0  0
   3272 {142.HE21 142.HE21 142.HE21}    6.133  0.030  0.125 {142.NE2 142.NE2 142.NE2}  107.964  0.559  1.319 {127.HG11 127.HG12 127.HG13}    0.792  0.161  0.272    1800.545     23.355  0  0
   3273 {?}    7.048  0.026  0.036 {?}  107.788  0.589  0.899 {?}    0.773  0.149  0.176    1883.704      7.558  0  0
   3274 {?}    7.047  0.025  0.020 {?}  107.769  0.660  0.502 {?}    0.584  0.094  0.134    5028.161      4.204  0  0
   3275 {76.H}    7.047  0.034  0.049 {76.N}  107.758  0.777  0.733 {76.HD13}   -0.483  0.117  0.108    1006.476      4.900  0  0
   3276 {76.H}    7.049  0.024  0.034 {76.N}  107.719  0.346  0.285 {78.H}    7.776  0.134  0.192     417.575      3.202  0  0
   3277 {76.H}    7.043  0.037  0.052 {76.N}  107.747  0.976  0.520 {74.H}    6.271  0.058  0.068     130.117      3.276  0  0
   3278 {?}    7.759  0.034  0.023 {?}  107.465  0.953  0.678 {?}    5.875  0.105  0.151     258.687      3.897  0  0
   3279 {94.H}    7.759  0.017  0.028 {94.N}  107.471  0.978  0.690 {93.HA}    4.883  0.100  0.137     439.956      3.736  0  0
   3280 {?}    7.054  0.028  0.016 {?}  107.651  0.958  0.501 {?}    4.675  0.135  0.181      22.466      3.418  0  0
   3281 {?}    7.044  0.026  0.025 {?}  107.708  0.743  0.703 {?}    4.459  0.076  0.155     239.577      4.944  0  0
   3282 {?}    7.048  0.032  0.082 {?}  107.743  0.741  1.053 {?}    2.313  0.190  0.271     410.072      9.996  0  0
   3283 {32.H}    7.960  0.030  0.033 {32.N}  107.191  0.598  0.694 {32.H}    7.961  0.232  0.331    2804.844      6.179  0  0
   3284 {32.H}    7.960  0.016  0.019 {32.N}  107.189  0.890  0.350 {33.H}    7.837  0.099  0.033    1459.874      3.082  0  0
   3285 {94.H}    7.761  0.040  0.020 {94.N}  107.383  0.743  0.233 {94.H}    7.757  0.065  0.050    4724.324      3.075  0  0
   3286 {32.H}    7.959  0.027  0.021 {32.N}  107.204  0.776  0.528 {31.H}    7.623  0.106  0.074    1497.395      3.934  0  0
   3287 {94.H}    7.760  0.033  0.056 {94.N}  107.382  0.707  1.016 {92.H}    7.529  0.345  0.493    1767.644      9.655  0  0
   3288 {?}    7.959  0.015  0.012 {?}  107.201  0.965  0.392 {?}    7.470  0.134  0.192     318.345      3.204  0  0
   3289 {94.H}    7.762  0.047  0.028 {94.N}  107.380  1.079  0.800 {93.H}    7.350  0.049  0.074    3092.766      3.890  0  0
   3290 {?}    7.959  0.020  0.006 {?}  107.204  0.763  0.223 {?}    7.331  0.226  0.060     542.069      3.058  0  0
   3291 {95.H}    6.559  0.015  0.042 {95.N}  107.134  0.801  1.032 {93.H}    7.334  0.058  0.074     349.301      7.417  0  0
   3292 {?}    5.753  0.033  0.067 {?}  107.265  0.704  1.024 {?}    7.307  0.345  0.493     118.507     10.351  0  0
   3293 {?}    7.761  0.026  0.024 {?}  107.407  0.567  0.521 {?}    7.188  0.134  0.192    1042.154      4.818  0  0
   3294 {?}    7.961  0.037  0.052 {?}  107.174  1.113  0.613 {?}    6.961  0.141  0.201      58.426      3.346  0  0
   3295 {?}    7.765  0.028  0.050 {?}  107.382  0.783  1.141 {?}    6.953  0.190  0.271     153.791     10.739  0  0
   3296 {?}    7.958  0.058  0.082 {?}  107.319  0.687  0.427 {?}    6.694  0.134  0.192      19.554      3.784  0  0
   3297 {?}    5.753  0.037  0.052 {?}  107.176  0.765  0.223 {?}    6.542  0.047  0.049    1902.688      3.044  0  0
   3298 {94.H}    7.761  0.033  0.054 {94.N}  107.393  0.785  1.202 {95.H}    6.497  0.045  0.136    1470.038     13.633  0  0
   3299 {?}    7.963  0.020  0.012 {?}  107.215  0.951  0.587 {?}    6.293  0.134  0.192      38.559      3.662  0  0
   3300 {?}    7.762  0.030  0.038 {?}  107.390  0.730  1.090 {?}    6.130  0.136  0.159     359.011      7.319  0  0
   3301 {?}    6.560  0.029  0.050 {?}  107.179  0.665  0.993 {?}    5.749  0.147  0.211    3675.134     11.018  0  0
   3302 {?}    7.760  0.022  0.012 {?}  107.351  0.434  0.358 {?}    5.731  0.118  0.058     217.219      3.028  0  0
   3303 {?}    7.759  0.024  0.026 {?}  107.435  1.080  0.061 {?}    5.594  0.058  0.012     307.809      2.661  0  0
   3304 {?}    6.556  0.037  0.054 {?}  107.173  0.768  1.111 {?}    5.409  0.096  0.137     203.474     10.503  0  0
   3305 {?}    7.960  0.038  0.054 {?}  107.347  0.763  1.080 {?}    5.301  0.105  0.151     135.299     10.036  0  0
   3306 {?}    7.758  0.032  0.062 {?}  107.341  0.725  1.162 {?}    5.229  0.065  0.178     452.299     13.148  0  0
   3307 {?}    7.758  0.021  0.053 {?}  107.378  0.732  0.831 {?}    5.030  0.071  0.079     443.748      6.144  0  0
   3308 {?}    7.762  0.024  0.035 {?}  107.401  0.959  0.948 {?}    4.732  0.102  0.101     453.702      5.120  0  0
   3309 {?}    6.555  0.043  0.061 {?}  107.219  0.926  1.054 {?}    4.655  0.137  0.195      58.091      6.452  0  0
   3310 {?}    5.755  0.028  0.053 {?}  107.166  0.568  0.893 {?}    4.636  0.099  0.142      33.754      8.945  0  0
   3311 {?}    7.962  0.030  0.126 {?}  107.193  0.676  1.216 {?}    4.600  0.093  0.271     412.717     22.043  0  0
   3312 {?}    7.761  0.037  0.057 {?}  107.378  0.567  1.082 {?}    4.490  0.259  0.303     916.823     11.062  0  0
   3313 {32.H}    7.958  0.028  0.057 {32.N}  107.212  0.634  1.187 {31.HA}    4.355  0.071  0.096     786.835     35.308  0  0
   3314 {94.H}    7.761  0.036  0.053 {94.N}  107.382  0.784  1.218 {94.HA2}    4.281  0.070  0.091    1445.945     14.207  0  0
   3315 {94.H}    7.760  0.036  0.084 {94.N}  107.373  0.738  1.235 {94.HA3}    4.017  0.116  0.211    1218.959     23.206  0  0
   3316 {32.H 32.H}    7.960  0.041  0.045 {32.N 32.N}  107.202  0.787  0.856 {32.HA2 32.HA3}    3.993  0.051  0.119    2855.912      5.744  0  0
   3317 {?}    5.748  0.030  0.055 {?}  107.179  0.717  1.207 {?}    3.350  0.057  0.104     159.084     14.007  0  0
   3318 {?}    6.560  0.034  0.062 {?}  107.155  0.694  1.192 {?}    2.794  0.076  0.109    1069.412     18.421  0  0
   3319 {?}    5.753  0.035  0.078 {?}  107.199  0.593  1.245 {?}    2.792  0.076  0.120     519.986     19.102  0  0
   3320 {?}    7.758  0.027  0.076 {?}  107.388  0.701  1.580 {?}    2.717  0.072  0.169     651.289    103.731  0  0
   3321 {?}    6.560  0.031  0.065 {?}  107.186  0.642  1.297 {?}    2.462  0.146  0.227     923.115     24.253  0  0
   3322 {?}    5.755  0.026  0.022 {?}  107.202  1.135  0.968 {?}    2.460  0.062  0.122     563.263      4.397  0  0
   3323 {?}    7.761  0.025  0.071 {?}  107.362  0.704  1.583 {?}    2.438  0.070  0.139     273.168     90.616  0  0
   3324 {32.H}    7.960  0.023  0.022 {32.N}  107.190  0.890  0.855 {30.HB3}    2.231  0.147  0.211    1889.424      4.978  0  0
   3325 {94.H}    7.758  0.038  0.055 {94.N}  107.424  0.688  1.021 {91.HG2}    2.179  0.062  0.100     269.790     10.012  0  0
   3326 {?}    7.961  0.029  0.043 {?}  107.196  0.598  0.839 {?}    2.046  0.071  0.211     415.065      7.454  0  0
   3327 {?}    7.762  0.031  0.040 {?}  107.391  0.613  0.840 {?}    2.003  0.085  0.114    1393.863      7.604  0  0
   3328 {?}    6.561  0.040  0.084 {?}  107.158  0.508  1.161 {?}    1.961  0.080  0.114     574.413     21.010  0  0
   3329 {94.H}    7.760  0.037  0.052 {94.N}  107.380  0.767  0.963 {93.HB2}    1.816  0.064  0.084    1013.423      7.026  0  0
   3330 {32.H}    7.959  0.027  0.082 {32.N}  107.209  0.520  1.256 {33.HG}    1.742  0.091  0.271     637.477     28.565  0  0
   3331 {?}    7.757  0.035  0.041 {?}  107.362  0.724  0.892 {?}    1.531  0.167  0.208     246.219      7.309  0  0
   3332 {?}    7.761  0.026  0.042 {?}  107.355  0.492  0.810 {?}    1.254  0.086  0.122     373.741     10.744  0  0
   3333 {?}    7.759  0.034  0.043 {?}  107.372  0.526  0.669 {?}    1.150  0.121  0.169     713.036      7.153  0  0
   3334 {?}    7.960  0.036  0.067 {?}  107.202  0.520  0.995 {?}    0.911  0.075  0.112    1976.213     14.361  0  0
   3335 {?}    7.762  0.032  0.039 {?}  107.380  0.673  1.048 {?}    0.830  0.073  0.091    1297.147      7.246  0  0
   3336 {?}    7.761  0.025  0.035 {?}  107.377  0.503  0.687 {?}    0.695  0.096  0.129    2229.252      8.217  0  0
   3337 {94.H}    7.762  0.036  0.047 {94.N}  107.391  0.699  0.887 {95.HG21}    0.496  0.101  0.137     536.406      7.358  0  0
   3338 {32.H}    7.962  0.031  0.076 {32.N}  107.228  0.497  1.208 {35.HD11}    0.301  0.065  0.211      93.507     34.705  0  0
   3339 {95.H}    6.561  0.021  0.055 {95.N}  107.123  0.568  0.679 {95.H}    6.537  0.139  0.166    4365.988      6.479  0  0
   3340 {?}    5.782  0.032  0.034 {?}  106.876  0.868  0.915 {?}    5.179  0.165  0.173    1065.061      5.582  0  0
   3341 {95.H}    6.563  0.011  0.023 {95.N}  107.022  0.696  0.679 {95.HA}    5.000  0.105  0.151     156.384      5.096  0  0
   3342 {?}    5.788  0.014  0.052 {?}  106.907  0.500  0.761 {?}    4.928  0.120  0.178     335.616      9.510  0  0
   3343 {?}    6.564  0.044  0.082 {?}  107.083  0.683  1.190 {?}    3.745  0.105  0.211      31.129     13.108  0  0
   3344 {?}    6.560  0.028  0.034 {?}  107.080  0.635  0.801 {?}    3.339  0.050  0.090     434.502      6.753  0  0
   3345 {?}    6.525  0.043  0.061 {?}  106.924  0.889  1.118 {?}    3.352  0.105  0.151     216.218      7.325  0  0
   3346 {?}    6.555  0.033  0.115 {?}  107.027  0.729  1.828 {?}    2.151  0.153  0.331     117.560     58.177  0  0
   3347 {?}    5.381  0.030  0.097 {?}  106.835  0.704  1.533 {?}    1.999  0.114  0.331      57.355     53.381  0  0
   3348 {128.HD22}    5.782  0.030  0.067 {128.ND2}  106.820  0.575  1.164 {127.HG21}    0.947  0.156  0.271      37.544     17.486  0  0
   3349 {?}    5.783  0.035  0.071 {?}  106.699  0.795  1.406 {?}    9.164  0.212  0.303     134.882     19.050  0  0
   3350 {41.H}    8.570  0.033  0.097 {41.N}  106.673  0.752  1.516 {43.H}    9.137  0.208  0.297      22.144     26.591  0  0
   3351 {?}    8.566  0.026  0.037 {?}  106.742  0.735  1.206 {?}    8.699  0.134  0.192     984.975     20.612  0  0
   3352 {128.HD22}    5.782  0.037  0.052 {128.ND2}  106.724  0.626  1.136 {42.H}    8.698  0.105  0.151     118.358     10.772  0  0
   3353 {41.H}    8.566  0.043  0.077 {41.N}  106.745  0.763  1.264 {41.H}    8.576  0.100  0.179    5120.787     16.661  0  0
   3354 {95.H}    6.514  0.032  0.090 {95.N}  106.723  0.614  1.345 {94.H}    7.753  0.112  0.356    1639.492     36.109  0  0
   3355 {95.H}    6.515  0.034  0.069 {95.N}  106.722  0.763  1.281 {96.H}    7.466  0.105  0.151     749.846     20.089  0  0
   3356 {?}    6.515  0.029  0.052 {?}  106.749  0.718  1.322 {?}    7.354  0.104  0.211    1169.307     38.670  0  0
   3357 {95.H}    6.512  0.040  0.067 {95.N}  106.699  0.554  1.104 {107.HD21}    7.194  0.185  0.356     178.971     15.403  0  0
   3358 {?}    8.569  0.035  0.090 {?}  106.803  0.735  1.459 {?}    7.134  0.174  0.248      29.886     33.416  0  0
   3359 {?}    5.779  0.035  0.090 {?}  106.635  0.735  1.459 {?}    7.139  0.174  0.248      78.719     33.416  0  0
   3360 {128.HD22}    5.784  0.033  0.054 {128.ND2}  106.710  0.531  1.159 {128.H}    6.943  0.108  0.198     388.186     14.723  0  0
   3361 {?}    5.375  0.037  0.052 {?}  106.604  0.655  1.091 {?}    6.947  0.085  0.140       2.832     10.201  0  0
   3362 {95.H}    6.514  0.032  0.097 {95.N}  106.729  0.776  1.995 {95.H}    6.498  0.190  0.271    6099.084     65.214  0  0
   3363 {?}    6.514  0.026  0.037 {?}  106.725  0.786  0.769 {?}    6.274  0.166  0.163     923.386      5.105  0  0
   3364 {?}    6.514  0.034  0.157 {?}  106.713  0.706  2.376 {?}    6.053  0.130  0.200    1050.051    113.513  0  0
   3365 {?}    6.508  0.035  0.114 {?}  106.695  0.557  1.786 {?}    5.916  0.091  0.271     263.530     70.599  0  0
   3366 {?}    5.365  0.025  0.057 {?}  106.725  0.536  1.504 {?}    5.799  0.083  0.271     102.865     60.624  0  0
   3367 {41.H}    8.569  0.035  0.131 {41.N}  106.723  0.731  1.763 {128.HD22}    5.784  0.161  0.229     172.623     69.260  0  0
   3368 {128.HD22}    5.782  0.033  0.069 {128.ND2}  106.619  0.650  1.249 {128.HD22}    5.784  0.095  0.182    5731.459     21.051  0  0
   3369 {?}    6.515  0.027  0.139 {?}  106.697  0.698  1.616 {?}    5.602  0.116  0.271     624.174    135.077  0  0
   3370 {?}    5.366  0.035  0.090 {?}  106.634  0.737  1.290 {?}    5.302  0.190  0.271      94.505     23.552  0  0
   3371 {?}    8.562  0.033  0.097 {?}  106.737  0.801  1.543 {?}    5.294  0.109  0.211      81.693     27.738  0  0
   3372 {?}    5.783  0.023  0.022 {?}  106.747  0.572  0.557 {?}    5.288  0.082  0.081    1034.773      5.084  0  0
   3373 {?}    6.509  0.028  0.122 {?}  106.782  0.723  1.651 {?}    5.212  0.147  0.211     355.051     79.547  0  0
   3374 {?}    5.779  0.032  0.082 {?}  106.792  0.863  1.855 {?}    5.051  0.191  0.271     546.383     28.086  0  0
   3375 {?}    5.788  0.035  0.106 {?}  106.815  0.719  1.502 {?}    4.765  0.074  0.158      81.218     38.744  0  0
   3376 {?}    8.567  0.035  0.060 {?}  106.763  0.496  0.930 {?}    4.715  0.074  0.111      93.275     12.764  0  0
   3377 {?}    6.512  0.029  0.068 {?}  106.710  0.687  1.336 {?}    4.719  0.081  0.180     770.107     35.977  0  0
   3378 {?}    6.514  0.027  0.050 {?}  106.767  0.854  1.355 {?}    4.509  0.071  0.130     594.730     13.874  0  0
   3379 {?}    5.784  0.033  0.026 {?}  106.684  0.638  0.465 {?}    4.480  0.089  0.076     267.749      4.100  0  0
   3380 {95.H}    6.514  0.034  0.054 {95.N}  106.730  0.524  0.882 {94.HA2}    4.277  0.077  0.126     916.746     10.354  0  0
   3381 {41.H}    8.566  0.029  0.064 {41.N}  106.734  0.535  1.032 {41.HA2}    4.242  0.060  0.105     851.927     15.240  0  0
   3382 {128.HD22}    5.782  0.032  0.025 {128.ND2}  106.680  0.869  0.723 {42.HA2}    4.251  0.062  0.048     238.808      4.260  0  0
   3383 {95.H}    6.514  0.030  0.155 {95.N}  106.716  0.500  1.495 {90.HA}    4.055  0.078  0.112    1260.016     92.618  0  0
   3384 {41.H}    8.567  0.046  0.220 {41.N}  106.745  0.788  2.062 {41.HA3}    3.715  0.073  0.166    2435.018    105.445  0  0
   3385 {128.HD22}    5.783  0.026  0.030 {128.ND2}  106.732  0.632  0.761 {41.HA3}    3.721  0.072  0.085     480.795      6.469  0  0
   3386 {?}    8.566  0.029  0.076 {?}  106.758  0.549  1.112 {?}    3.415  0.061  0.271     254.890     15.236  0  0
   3387 {?}    5.784  0.030  0.077 {?}  106.774  0.648  1.364 {?}    3.383  0.077  0.171     146.705     41.440  0  0
   3388 {41.H}    8.567  0.026  0.030 {41.N}  106.753  0.642  0.399 {126.HD2}    3.299  0.105  0.151     378.591      3.782  0  0
   3389 {128.HD22}    5.782  0.033  0.086 {128.ND2}  106.719  0.559  1.328 {42.HA3}    3.132  0.105  0.151      59.610     32.547  0  0
   3390 {?}    8.567  0.031  0.050 {?}  106.747  0.729  1.043 {?}    2.403  0.059  0.096    1752.796      9.682  0  0
   3391 {?}    5.786  0.037  0.016 {?}  106.671  0.776  0.242 {?}    2.268  0.104  0.102     360.414      3.084  0  0
   3392 {?}    8.569  0.034  0.041 {?}  106.720  0.266  0.752 {?}    2.249  0.087  0.101     283.773      6.739  0  0
   3393 {?}    6.515  0.031  0.037 {?}  106.732  0.663  0.937 {?}    2.200  0.063  0.077     483.681      7.524  0  0
   3394 {?}    5.782  0.030  0.059 {?}  106.723  0.777  1.162 {?}    2.129  0.144  0.195     750.818     13.198  0  0
   3395 {?}    6.514  0.031  0.087 {?}  106.732  0.623  1.371 {?}    2.017  0.105  0.150    2137.195     41.406  0  0
   3396 {128.HD22}    5.782  0.037  0.088 {128.ND2}  106.753  0.609  1.209 {128.HB3}    1.985  0.058  0.103    1901.350     16.742  0  0
   3397 {?}    8.567  0.036  0.010 {?}  106.739  0.598  0.115 {?}    1.894  0.054  0.010    2605.833      2.883  0  0
   3398 {95.H}    6.514  0.034  0.063 {95.N}  106.702  0.571  0.983 {93.HB2}    1.810  0.061  0.100    1232.550     14.043  0  0
   3399 {41.H 41.H}    8.568  0.034  0.063 {41.N 41.N}  106.726  0.571  0.983 {126.HG2 126.HG3}    1.717  0.061  0.100      28.539     14.043  0  0
   3400 {128.HD22}    5.786  0.028  0.018 {128.ND2}  106.747  0.993  0.680 {126.HG2}    1.737  0.110  0.080     894.764      3.724  0  0
   3401 {?}    6.514  0.032  0.194 {?}  106.713  0.655  1.684 {?}    1.437  0.080  0.143     295.481     82.327  0  0
   3402 {128.HD22 128.HD22}    5.782  0.037  0.082 {128.ND2 128.ND2}  106.746  0.538  0.769 {139.HB1 139.HB2}    1.356  0.070  0.163     221.068     93.478  0  0
   3403 {?}    6.515  0.063  0.131 {?}  106.719  0.570  0.814 {?}    1.167  0.094  0.157    1262.371    222.911  0  0
   3404 {?}    5.786  0.063  0.131 {?}  106.735  0.570  0.814 {?}    1.124  0.094  0.157     321.931    222.911  0  0
   3405 {95.H 95.H}    6.514  0.063  0.131 {95.N 95.N}  106.718  0.570  0.814 {95.HG11 95.HG12}    0.844  0.094  0.157    2963.546    222.911  0  0
   3406 {?}    5.785  0.030  0.025 {?}  106.736  0.886  0.413 {?}    0.786  0.157  0.069     330.622      3.289  0  0
   3407 {?}    6.514  0.034  0.074 {?}  106.717  0.564  1.280 {?}    0.693  0.190  0.272    2554.061     27.583  0  0
   3408 {95.H 95.H}    6.514  0.031  0.038 {95.N 95.N}  106.719  1.089  1.302 {95.HG21 95.HG22}    0.495  0.147  0.211    2472.344      6.636  0  0
   3409 {92.H}    7.527  0.027  0.024 {92.N}  106.235  0.744  0.637 {94.H}    7.753  0.087  0.075     838.338      4.487  0  0
   3410 {92.H}    7.527  0.028  0.016 {92.N}  106.233  1.053  0.619 {92.H}    7.530  0.137  0.081    4996.545      3.367  0  0
   3411 {92.H 92.H}    7.527  0.030  0.034 {92.N 92.N}  106.233  0.812  0.888 {91.H 93.H}    7.352  0.147  0.211    3883.913      5.679  0  0
   3412 {?}    7.526  0.032  0.038 {?}  106.228  0.543  0.667 {?}    7.179  0.105  0.151     979.780      6.755  0  0
   3413 {?}    7.528  0.038  0.088 {?}  106.229  0.584  1.139 {?}    6.919  0.105  0.151     616.658     14.420  0  0
   3414 {?}    7.529  0.032  0.080 {?}  106.262  0.572  1.162 {?}    6.273  0.147  0.211      78.516     19.344  0  0
   3415 {?}    7.524  0.042  0.047 {?}  106.198  0.471  0.508 {?}    6.125  0.105  0.151      76.924      5.662  0  0
   3416 {?}    7.527  0.031  0.038 {?}  106.244  0.770  0.893 {?}    5.983  0.147  0.211      84.928      6.372  0  0
   3417 {?}    7.527  0.020  0.045 {?}  106.255  0.949  1.008 {?}    5.240  0.151  0.452      61.971      5.560  0  0
   3418 {92.H}    7.532  0.014  0.011 {92.N}  106.322  0.785  0.220 {93.HA}    4.884  0.134  0.192     145.939      3.015  0  0
   3419 {?}    7.528  0.026  0.037 {?}  106.271  0.951  0.654 {?}    4.569  0.127  0.114     241.135      3.913  0  0
   3420 {?}    7.525  0.048  0.035 {?}  106.267  0.802  0.686 {?}    4.452  0.101  0.144     496.264      4.598  0  0
   3421 {92.H}    7.528  0.032  0.045 {92.N}  106.242  0.601  0.901 {92.HA}    4.344  0.076  0.102     622.824      8.909  0  0
   3422 {92.H}    7.527  0.024  0.026 {92.N}  106.263  0.826  0.888 {91.HA}    4.062  0.076  0.085     424.997      5.702  0  0
   3423 {?}    7.528  0.026  0.037 {?}  106.234  0.939  0.295 {?}    3.594  0.073  0.104    2086.039      2.985  0  0
   3424 {92.H}    7.528  0.048  0.072 {92.N}  106.243  0.646  0.904 {89.HA}    2.772  0.190  0.271     719.837      7.127  0  0
   3425 {92.H}    7.527  0.024  0.003 {92.N}  106.243  1.002  0.156 {91.HG3}    2.401  0.095  0.059     604.402      2.803  0  0
   3426 {92.H}    7.527  0.032  0.079 {92.N}  106.236  0.584  1.267 {91.HG2}    2.215  0.090  0.155    2666.477     30.811  0  0
   3427 {?}    7.527  0.029  0.011 {?}  106.229  0.486  0.360 {?}    2.083  0.181  0.072    1980.250      2.970  0  0
   3428 {?}    7.528  0.048  0.049 {?}  106.192  0.654  0.669 {?}    1.819  0.105  0.151    1312.154      5.338  0  0
   3429 {92.H}    7.527  0.062  0.054 {92.N}  106.233  0.654  0.491 {92.HG23}    1.131  0.096  0.137    3798.384      4.174  0  0
   3430 {?}    7.529  0.018  0.034 {?}  106.199  0.729  0.535 {?}    0.800  0.190  0.271    1574.556      4.090  0  0
   3431 {?}    7.527  0.020  0.005 {?}  106.168  0.938  0.211 {?}    6.508  0.267  0.035     181.903      2.862  0  0
   3432 {?}    7.526  0.023  0.013 {?}  106.170  0.559  0.234 {?}    5.562  0.147  0.211      37.505      3.298  0  0
   3433 {?}    7.533  0.031  0.049 {?}  106.100  0.643  1.198 {?}    4.692  0.166  0.328     296.418     11.952  0  0
   3434 {92.H}    7.527  0.041  0.038 {92.N}  106.172  0.467  0.409 {92.HB}    3.834  0.134  0.192     426.208      4.638  0  0
   3435 {42.H}    8.698  0.047  0.045 {42.N}  105.494  0.905  0.850 {43.H}    9.142  0.134  0.192     862.557      4.845  0  0
   3436 {42.H}    8.697  0.023  0.015 {42.N}  105.492  0.679  0.397 {42.H}    8.705  0.066  0.069    3400.330      3.683  0  0
   3437 {?}    8.697  0.046  0.043 {?}  105.484  0.611  0.536 {?}    8.574  0.147  0.211    1382.071      4.645  0  0
   3438 {?}    8.699  0.034  0.118 {?}  105.477  0.553  1.353 {?}    7.467  0.087  0.195     137.764     55.657  0  0
   3439 {?}    8.695  0.018  0.035 {?}  105.465  0.874  0.766 {?}    7.117  0.345  0.493     122.251      4.519  0  0
   3440 {42.H}    8.698  0.030  0.020 {42.N}  105.481  1.070  0.703 {128.H}    6.944  0.228  0.153     558.365      3.791  0  0
   3441 {42.H}    8.698  0.025  0.036 {42.N}  105.482  0.921  0.850 {128.HD22}    5.790  0.174  0.365     512.420      4.741  0  0
   3442 {?}    8.696  0.031  0.030 {?}  105.479  0.737  0.694 {?}    5.297  0.190  0.271     260.590      4.945  0  0
   3443 {42.H}    8.696  0.017  0.033 {42.N}  105.430  0.587  0.534 {44.HA}    5.169  0.105  0.151     282.039      4.787  0  0
   3444 {?}    8.698  0.033  0.074 {?}  105.458  0.687  1.268 {?}    5.066  0.091  0.136     269.271     28.308  0  0
   3445 {?}    8.701  0.013  0.024 {?}  105.467  0.796  0.681 {?}    4.906  0.134  0.115     268.131      4.438  0  0
   3446 {?}    8.697  0.039  0.039 {?}  105.436  0.794  0.785 {?}    4.713  0.074  0.162     480.476      5.160  0  0
   3447 {?}    8.699  0.029  0.027 {?}  105.475  0.492  0.458 {?}    4.376  0.064  0.135    1234.518      4.872  0  0
   3448 {42.H}    8.698  0.035  0.060 {42.N}  105.495  0.680  1.117 {42.HA2}    4.263  0.086  0.120    1668.034     11.111  0  0
   3449 {?}    8.698  0.022  0.045 {?}  105.486  0.726  0.679 {?}    3.699  0.105  0.151    1851.743      4.874  0  0
   3450 {?}    8.696  0.029  0.025 {?}  105.463  0.510  0.437 {?}    3.415  0.121  0.237     372.693      4.561  0  0
   3451 {?}    8.698  0.060  0.025 {?}  105.458  0.738  0.293 {?}    3.271  0.105  0.151     944.484      3.261  0  0
   3452 {42.H}    8.698  0.040  0.029 {42.N}  105.494  0.841  0.506 {42.HA3}    3.141  0.079  0.130    1380.309      3.670  0  0
   3453 {?}    8.699  0.018  0.029 {?}  105.516  0.800  0.606 {?}    2.266  0.105  0.151       5.371      4.216  0  0
   3454 {42.H}    8.697  0.033  0.045 {42.N}  105.527  0.713  0.939 {128.HB3}    1.981  0.134  0.192     404.193      7.034  0  0
   3455 {?}    8.697  0.031  0.036 {?}  105.510  0.675  0.786 {?}    1.866  0.105  0.151     685.769      5.958  0  0
   3456 {?}    8.699  0.019  0.014 {?}  105.465  0.831  0.609 {?}    1.712  0.104  0.148     524.840      4.143  0  0
   3457 {?}    8.698  0.031  0.010 {?}  105.482  0.937  0.209 {?}    0.917  0.144  0.117    1430.324      2.938  0  0
   3458 {?}    8.698  0.039  0.045 {?}  105.492  0.838  0.972 {?}    0.792  0.144  0.206    1302.813      6.456  0  0
   3459 {104.H}    7.807  0.025  0.029 {104.N}  105.161  0.718  0.870 {104.H}    7.804  0.147  0.211    3832.880      6.393  0  0
   3460 {104.H 104.H}    7.807  0.017  0.030 {104.N 104.N}  105.167  0.606  0.428 {103.H 105.H}    7.534  0.065  0.118    3889.761      4.031  0  0
   3461 {?}    7.807  0.027  0.013 {?}  105.150  0.749  0.287 {?}    7.300  0.147  0.211     763.306      3.213  0  0
   3462 {?}    7.805  0.027  0.038 {?}  105.177  0.611  0.806 {?}    7.167  0.105  0.151     419.445      7.147  0  0
   3463 {?}    7.806  0.019  0.045 {?}  105.146  0.980  1.078 {?}    7.039  0.211  0.301     727.119      6.052  0  0
   3464 {?}    7.808  0.022  0.024 {?}  105.146  0.609  0.660 {?}    6.549  0.106  0.111     682.039      5.686  0  0
   3465 {?}    7.805  0.036  0.053 {?}  105.103  0.625  0.944 {?}    6.265  0.147  0.211     282.105      8.329  0  0
   3466 {?}    7.809  0.018  0.040 {?}  105.154  0.460  0.445 {?}    6.062  0.105  0.151     538.906      5.050  0  0
   3467 {104.H}    7.809  0.037  0.052 {104.N}  105.196  0.687  1.085 {102.H}    5.898  0.105  0.151     406.907     12.659  0  0
   3468 {?}    7.807  0.029  0.043 {?}  105.167  0.703  1.047 {?}    5.288  0.152  0.238     266.093      9.197  0  0
   3469 {?}    7.806  0.037  0.052 {?}  105.107  0.603  1.205 {?}    5.109  0.037  0.125     262.495     18.832  0  0
   3470 {?}    7.804  0.031  0.042 {?}  105.186  0.514  0.646 {?}    4.956  0.067  0.086     277.279      7.024  0  0
   3471 {?}    7.805  0.031  0.048 {?}  105.163  0.602  1.074 {?}    4.831  0.053  0.169     214.115     11.457  0  0
   3472 {104.H}    7.806  0.019  0.043 {104.N}  105.130  0.857  0.871 {101.HA}    4.698  0.069  0.070     311.688      5.317  0  0
   3473 {?}    7.806  0.033  0.046 {?}  105.143  0.466  0.817 {?}    4.534  0.081  0.106     302.525     12.727  0  0
   3474 {104.H}    7.808  0.033  0.046 {104.N}  105.150  0.466  0.817 {104.HA2}    4.048  0.081  0.106    1381.956     12.727  0  0
   3475 {?}    7.807  0.033  0.063 {?}  105.157  0.697  1.291 {?}    3.730  0.055  0.094    1728.545     16.708  0  0
   3476 {?}    7.806  0.035  0.096 {?}  105.179  0.559  1.329 {?}    3.526  0.073  0.134     209.498     48.968  0  0
   3477 {104.H}    7.806  0.024  0.040 {104.N}  105.133  0.832  0.548 {103.HB2}    3.285  0.108  0.080     270.936      3.838  0  0
   3478 {?}    7.810  0.030  0.064 {?}  105.121  0.662  1.610 {?}    2.703  0.050  0.099     173.475     50.342  0  0
   3479 {?}    7.806  0.028  0.045 {?}  105.131  0.510  0.877 {?}    2.544  0.059  0.094     412.167     10.991  0  0
   3480 {?}    7.806  0.031  0.054 {?}  105.112  0.590  1.221 {?}    2.222  0.098  0.211     227.658     15.704  0  0
   3481 {?}    7.808  0.028  0.054 {?}  105.141  0.702  1.110 {?}    1.947  0.089  0.168     441.760     15.325  0  0
   3482 {?}    7.805  0.034  0.071 {?}  105.148  0.525  1.235 {?}    1.795  0.135  0.230     752.388     24.660  0  0
   3483 {?}    7.808  0.032  0.094 {?}  105.168  0.590  1.316 {?}    1.448  0.127  0.361    3605.587     38.881  0  0
   3484 {?}    7.808  0.031  0.053 {?}  105.127  0.715  1.200 {?}    1.263  0.108  0.246     199.499     14.189  0  0
   3485 {?}    7.807  0.028  0.064 {?}  105.151  0.617  1.390 {?}    1.154  0.105  0.162     400.497     31.361  0  0
   3486 {?}    7.807  0.058  0.141 {?}  105.165  0.675  1.583 {?}    0.845  0.082  0.218    3507.341     31.224  0  0
   3487 {?}    7.808  0.034  0.048 {?}  105.159  0.765  0.645 {?}    0.607  0.091  0.081    3572.351      4.512  0  0
   3488 {?}    7.807  0.030  0.066 {?}  105.146  0.731  1.216 {?}    0.234  0.034  0.144     399.051     21.723  0  0
   3489 {?}    7.933  0.040  0.083 {?}  102.843  0.606  1.061 {?}    7.806  0.114  0.160      19.923     11.734  0  0
   3490 {?}    8.130  0.034  0.067 {?}  102.633  0.543  1.251 {?}    9.471  0.091  0.152     201.840     20.622  0  0
   3491 {79.H}    8.127  0.031  0.075 {79.N}  102.697  0.727  1.544 {80.H}    8.649  0.083  0.153      82.220     26.994  0  0
   3492 {79.H}    8.131  0.029  0.017 {79.N}  102.642  0.688  0.387 {79.H}    8.136  0.077  0.050    1773.163      3.627  0  0
   3493 {79.H}    8.133  0.035  0.066 {79.N}  102.655  0.625  1.126 {78.H}    7.743  0.052  0.083     446.338     11.221  0  0
   3494 {?}    8.133  0.027  0.030 {?}  102.622  0.587  0.674 {?}    7.149  0.068  0.079     278.654      6.127  0  0
   3495 {?}    8.127  0.050  0.026 {?}  102.704  1.021  0.805 {?}    5.470  0.115  0.081     168.040      3.773  0  0
   3496 {?}    8.137  0.028  0.039 {?}  102.666  0.746  1.024 {?}    4.539  0.134  0.192      30.947      9.306  0  0
   3497 {79.H}    8.131  0.029  0.048 {79.N}  102.648  0.716  1.128 {79.HA3}    3.409  0.075  0.111    1271.863     10.122  0  0
   3498 {?}    8.131  0.035  0.072 {?}  102.661  0.780  1.325 {?}    3.038  0.079  0.164    1136.586     18.017  0  0
   3499 {?}    8.124  0.017  0.035 {?}  102.689  0.618  0.581 {?}    2.585  0.080  0.072     100.635      4.919  0  0
   3500 {?}    8.128  0.034  0.026 {?}  102.697  0.862  0.617 {?}    2.046  0.147  0.211     139.133      4.023  0  0
   3501 {?}    8.131  0.026  0.023 {?}  102.629  0.849  0.752 {?}    1.728  0.147  0.211     225.990      4.518  0  0
   3502 {?}    8.131  0.029  0.031 {?}  102.663  0.869  0.940 {?}    1.480  0.083  0.086     612.308      5.700  0  0
   3503 {?}    8.136  0.034  0.085 {?}  102.676  0.643  1.319 {?}    0.601  0.166  0.235     250.721     25.511  0  0
   3504 {?}    8.131  0.034  0.128 {?}  102.604  0.527  1.329 {?}    0.356  0.094  0.391     192.015     47.012  0  0
   3505 {79.H}    8.132  0.069  0.093 {79.N}  102.582  0.521  0.758 {76.HD11}   -0.491  0.105  0.151      61.878      8.592  0  0
   3506 {35.H 35.H}    7.327  0.037  0.052 {35.N 35.N}  120.966  0.804  1.225 {36.H 37.H}    7.455  0.147  0.211       0.000     13.795  0  0
   3507 {36.H 37.H 36.H 37.H}    7.452  0.030  0.104 {36.N 37.N 36.N 37.N}  118.344  0.487  1.184 {35.H 35.H 38.H 38.H}    7.340  0.094  0.135       0.000     30.811  0  0
;

   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    HN   .   'not observed'   6    ppm   .   .   .   .   .   .   52587   1
      2   .   .   N   15   N    .   'not observed'   40   ppm   .   .   .   .   .   .   52587   1
      3   .   .   H   1    H    .   'not observed'   14   ppm   .   .   .   .   .   .   52587   1
   stop_

   loop_
      _Spectral_peak_software.Software_ID
      _Spectral_peak_software.Software_label
      _Spectral_peak_software.Method_ID
      _Spectral_peak_software.Method_label
      _Spectral_peak_software.Entry_ID
      _Spectral_peak_software.Spectral_peak_list_ID

      3   $software_3   .   .   52587   1
      4   $software_4   .   .   52587   1
   stop_
save_