# Number of dimensions 3
#INAME 1 1H
#INAME 2 1H
#INAME 3 13C
   2   7.244   7.244 132.047 1 U          4.820e+04  0.00e+00 m   0  187  187  191 0
   3   7.368   7.368 131.271 1 U          3.722e+04  0.00e+00 m   0  188  188  193 0
   4   7.291   7.291 130.750 1 U          7.599e+04  0.00e+00 m   0  249  249  254 0
   5   7.023   7.023 132.306 1 U          1.205e+05  0.00e+00 m   0  248  248  252 0
   6   6.816   6.816 132.565 1 U          1.633e+05  0.00e+00 m   0  288  288  292 0
   7   6.917   6.917 131.530 1 U          1.142e+05  0.00e+00 m   0 1007 1007 1011 0
   8   7.048   7.048 131.012 1 U          9.037e+04  0.00e+00 m   0 1008 1008 1013 0
   9   7.180   7.180 129.200 1 U          2.796e+04  0.00e+00 m   0  196  196  195 0
  10   6.891   6.891 128.400 1 U          4.280e+04  0.00e+00 m   0 1016 1016 1015 0
  11   7.177   7.177 126.871 1 U          7.244e+04  0.00e+00 m   0  625  625  620 0
  12   7.397   7.397 125.835 1 U          5.781e+04  0.00e+00 m   0  633  633  631 0
  13   7.099   7.099 120.658 1 U          5.193e+04  0.00e+00 m   0  630  630  627 0
  14   7.036   7.035 120.658 1 U          6.705e+05  0.00e+00 m   0  277  277  273 0
  15   6.541   6.541 118.070 1 U          1.514e+05  0.00e+00 m   0  289  289  294 0
  16   7.364   7.364 113.929 1 U          4.467e+04  0.00e+00 m   0  632  632  628 0
  17   8.158   8.158 137.224 1 U          9.468e+05  0.00e+00 m   0  278  278  275 0
  18   7.113   7.113 120.141 1 U          3.227e+04  0.00e+00 m   0  626  626  622 0
  39   6.816   6.555 132.565 3 U          9.500e+04  0.00e+00 m   0  288  289  292 0
  40   6.816   3.820 132.565 3 U          9.828e+03  0.00e+00 m   0  288    0  292 0
  41   6.816   4.100 132.565 3 U          1.716e+04  0.00e+00 m   0  288  283  292 0
  42   6.816   4.621 132.565 3 U          3.132e+03  0.00e+00 m   0  288  364  292 0
  44   6.816   4.266 132.565 4 U          4.397e+03  0.00e+00 m   0    0    0    0 0
  46   6.541   4.615 118.070 3 U          7.669e+03  0.00e+00 m   0  289  364  294 0
  47   6.541   4.266 118.070 4 U          3.914e+03  0.00e+00 m   0    0    0    0 0
  48   6.541   4.106 118.070 3 U          5.897e+03  0.00e+00 m   0  289  373  294 0
  49   6.541   3.825 118.070 3 U          1.264e+04  0.00e+00 m   0  289  320  294 0
  50   7.177   4.907 126.871 3 U          1.183e+04  0.00e+00 m   0  625  614  620 0
  51   7.177   4.701 126.871 3 U          4.743e+03  0.00e+00 m   0  625    0  620 0
  52   7.177   4.472 126.871 3 U          1.180e+03  0.00e+00 m   0  625    0  620 0
  53   7.177   4.043 126.871 4 U          9.770e+02  0.00e+00 m   0    0    0    0 0
  54   7.177   8.444 126.871 4 U          2.119e+03  0.00e+00 m   0    0    0    0 0
  55   6.541   6.819 118.070 3 U          6.163e+04  0.00e+00 m   0  289  288  294 0
  56   6.541   7.340 118.070 4 U          2.110e+03  0.00e+00 m   0    0    0    0 0
  57   6.541   7.746 118.070 4 U          1.917e+03  0.00e+00 m   0    0    0    0 0
  58   6.541   7.649 118.070 4 U          1.271e+03  0.00e+00 m   0    0    0    0 0
  59   6.541   8.456 118.070 3 U          2.445e+03  0.00e+00 m   0  289  304  294 0
  60   6.816   7.305 132.565 3 U          6.178e+03  0.00e+00 m   0  288  249  292 0
  61   6.816   8.456 132.565 3 U          5.294e+03  0.00e+00 m   0  288  304  292 0
  62   6.816   8.313 132.565 3 U          4.061e+03  0.00e+00 m   0  288  281  292 0
  63   6.816   7.723 132.565 4 U          1.590e+03  0.00e+00 m   0    0    0    0 0
  64   8.158   4.255 137.224 4 U          1.536e+03  0.00e+00 m   0    0    0    0 0
  65   7.036   8.370 120.658 4 U          2.059e+03  0.00e+00 m   0    0    0    0 0
  66   7.036   8.210 120.658 4 U          1.195e+03  0.00e+00 m   0    0    0    0 0
  67   7.036   4.237 120.658 4 U          2.312e+03  0.00e+00 m   0    0    0    0 0
  69   7.036   4.129 120.658 3 U          1.719e+03  0.00e+00 m   0  277  243  273 0
  70   7.291   7.031 130.750 3 U          1.970e+04  0.00e+00 m   0  249  248  254 0
  71   7.291   4.317 130.750 3 U          4.783e+03  0.00e+00 m   0  249  412  254 0
  72   7.291   4.123 130.750 3 U          4.397e+03  0.00e+00 m   0  249  283  254 0
  74   7.023   7.300 132.306 3 U          3.400e+04  0.00e+00 m   0  248  249  252 0
  75   7.023   7.712 132.306 3 U          3.692e+03  0.00e+00 m   0  248  264  252 0
  76   7.291   7.746 130.750 3 U          1.488e+03  0.00e+00 m   0  249  264  254 0
  77   7.291   8.507 130.750 4 U          1.357e+03  0.00e+00 m   0    0    0    0 0
  78   7.291   8.095 130.750 3 U          1.053e+03  0.00e+00 m   0  249  420  254 0
  79   7.023   8.393 132.306 4 U          1.175e+03  0.00e+00 m   0    0    0    0 0
  80   7.023   8.147 132.306 4 U          1.106e+03  0.00e+00 m   0    0    0    0 0
  81   7.023   4.140 132.306 3 U          1.109e+04  0.00e+00 m   0  248  243  252 0
  82   7.023   4.461 132.306 4 U          1.494e+03  0.00e+00 m   0    0    0    0 0
  83   7.023   3.957 132.306 4 U          2.526e+03  0.00e+00 m   0    0    0    0 0
  84   7.291   3.980 130.750 3 U          1.359e+03  0.00e+00 m   0  249    0  254 0
  85   7.180   7.923 129.200 3 U          1.323e+03  0.00e+00 m   0  196    0  195 0
  86   7.180   8.576 129.200 3 U          1.009e+03  0.00e+00 m   0  196  556  195 0
  87   7.180   3.968 129.200 3 U          1.409e+03  0.00e+00 m   0  196    0  195 0
  88   7.180   3.728 129.200 3 U          7.226e+03  0.00e+00 m   0  196    0  195 0
  90   7.180   7.380 129.200 3 U          1.493e+04  0.00e+00 m   0  196  188  195 0
  91   7.368   8.593 131.271 3 U          1.717e+03  0.00e+00 m   0  188  556  193 0
  92   7.368   4.323 131.271 4 U          1.124e+03  0.00e+00 m   0    0    0    0 0
  93   7.368   3.945 131.271 3 U          1.832e+03  0.00e+00 m   0  188  472  193 0
  95   7.368   3.728 131.271 3 U          2.839e+03  0.00e+00 m   0  188    0  193 0
  96   7.244   8.599 132.047 3 U          2.243e+03  0.00e+00 m   0  187  556  191 0
  97   7.244   7.963 132.047 3 U          1.008e+03  0.00e+00 m   0  187  566  191 0
  98   7.368   7.946 131.271 3 U          1.120e+03  0.00e+00 m   0  188    0  193 0
  99   7.244   7.368 132.047 3 U          2.394e+04  0.00e+00 m   0  187  188  191 0
 100   7.368   7.248 131.271 3 U          2.028e+04  0.00e+00 m   0  188  187  193 0
 101   7.244   4.438 132.047 3 U          5.447e+03  0.00e+00 m   0  187  182  191 0
 102   7.244   3.940 132.047 3 U          2.306e+03  0.00e+00 m   0  187  472  191 0
 103   7.244   3.779 132.047 4 U          1.823e+03  0.00e+00 m   0    0    0    0 0
 104   7.177   7.918 126.871 4 U          1.574e+03  0.00e+00 m   0    0    0    0 0
 105   6.917   7.053 131.530 3 U          4.409e+04  0.00e+00 m   0 1007 1008 1011 0
 106   6.917   8.129 131.530 3 U          1.894e+03  0.00e+00 m   0 1007    0 1011 0
 107   6.917   3.779 131.530 3 U          2.683e+03  0.00e+00 m   0 1007    0 1011 0
 108   6.917   3.980 131.530 3 U          6.917e+03  0.00e+00 m   0 1007 1002 1011 0
 109   7.048   6.555 131.012 3 U          2.437e+03  0.00e+00 m   0 1008    0 1013 0
 110   7.048   4.627 131.012 3 U          1.337e+03  0.00e+00 m   0 1008    0 1013 0
 111   7.048   3.968 131.012 4 U          6.339e+03  0.00e+00 m   0    0    0    0 0
 112   7.048   3.779 131.012 3 U          2.275e+03  0.00e+00 m   0 1008    0 1013 0
 113   6.891   7.053 128.400 3 U          1.457e+04  0.00e+00 m   0 1016 1008 1015 0
 114   7.048   6.899 131.012 3 U          5.592e+04  0.00e+00 m   0 1008 1007 1013 0
 115   6.891   6.555 128.400 3 U          1.666e+03  0.00e+00 m   0 1016    0 1015 0
 116   6.891   4.615 128.400 3 U          1.520e+03  0.00e+00 m   0 1016    0 1015 0
 117   6.891   3.934 128.400 3 U          6.017e+03  0.00e+00 m   0 1016 1385 1015 0
 119   7.364   7.116 113.929 3 U          4.232e+03  0.00e+00 m   0  632  630  628 0
 120   7.397   4.507 125.835 4 U          2.835e+03  0.00e+00 m   0    0    0    0 0
 121   7.364   4.498 113.929 4 U          1.403e+03  0.00e+00 m   0    0    0    0 0
 122   7.113   3.310 120.141 3 U          3.675e+03  0.00e+00 m   0  626  616  622 0
 123   7.113   3.125 120.141 3 U          2.823e+03  0.00e+00 m   0  626  558  622 0
 124   7.113   2.771 120.141 3 U          3.221e+03  0.00e+00 m   0  626  617  622 0
 125   7.113   1.618 120.141 3 U          1.229e+03  0.00e+00 m   0  626   95  622 0
 127   7.177  10.329 126.871 3 U          1.048e+04  0.00e+00 m   0  625  629  620 0
 128   7.364  10.329 113.929 3 U          3.341e+03  0.00e+00 m   0  632  629  628 0
 129   6.917   9.176 131.530 3 U          1.371e+03  0.00e+00 m   0 1007 1000 1011 0
 130   7.048   7.759 131.012 3 U          1.281e+03  0.00e+00 m   0 1008    0 1013 0
 131   7.048   7.877 131.012 3 U          1.158e+03  0.00e+00 m   0 1008 1425 1013 0
 132   7.048   8.112 131.012 3 U          1.411e+03  0.00e+00 m   0 1008    0 1013 0
 133   7.048   8.497 131.012 3 U          1.014e+03  0.00e+00 m   0 1008 1383 1013 0
 134   7.397   9.931 125.835 3 U          1.137e+03  0.00e+00 m   0  633  219  631 0
 135   7.397  10.329 125.835 3 U          6.370e+02  0.00e+00 m   0  633  629  631 0
 136   7.113   7.961 120.141 3 U          1.126e+03  0.00e+00 m   0  626  566  622 0
 137   7.113   8.044 120.141 4 U          1.055e+03  0.00e+00 m   0    0    0    0 0
 138   7.364   4.213 113.929 4 U          8.770e+02  0.00e+00 m   0    0    0    0 0
 139   7.364   4.062 113.929 4 U          6.950e+02  0.00e+00 m   0    0    0    0 0
 140   6.917   6.556 131.530 4 U          1.028e+03  0.00e+00 m   0    0    0    0 0
 141   6.917   3.082 131.530 3 U          6.548e+03  0.00e+00 m   0 1007 1004 1011 0
 142   6.917   2.326 131.530 4 U          1.253e+03  0.00e+00 m   0    0    0    0 0
 143   7.216   2.326 131.530 4 U          8.600e+02  0.00e+00 m   0    0    0    0 0
 144   6.917   1.910 131.530 3 U          5.551e+03  0.00e+00 m   0 1007    0 1011 0
 145   6.917   1.413 131.530 3 U          8.282e+03  0.00e+00 m   0 1007 1376 1011 0
 147   6.917   0.287 131.530 3 U          3.840e+03  0.00e+00 m   0 1007    0 1011 0
 148   6.917   0.541 131.530 3 U          3.024e+03  0.00e+00 m   0 1007 1071 1011 0
 149   6.917   0.772 131.530 3 U          1.097e+04  0.00e+00 m   0 1007    0 1011 0
 150   6.917   0.905 131.530 3 U          3.953e+03  0.00e+00 m   0 1007  933 1011 0
 151   6.917   1.067 131.530 3 U          2.116e+03  0.00e+00 m   0 1007 1430 1011 0
 152   6.917   2.083 131.530 3 U          1.860e+03  0.00e+00 m   0 1007 1333 1011 0
 153   6.917  -0.065 131.530 3 U          1.217e+03  0.00e+00 m   0 1007 1072 1011 0
 154   7.048   3.082 131.012 3 U          3.635e+03  0.00e+00 m   0 1008 1004 1013 0
 155   7.048   3.209 131.012 4 U          1.321e+03  0.00e+00 m   0    0    0    0 0
 156   7.048   2.389 131.012 3 U          1.928e+03  0.00e+00 m   0 1008    0 1013 0
 157   7.048   2.279 131.012 3 U          2.380e+03  0.00e+00 m   0 1008 1429 1013 0
 158   7.048   1.910 131.012 3 U          8.089e+03  0.00e+00 m   0 1008    0 1013 0
 159   7.048   2.089 131.012 3 U          2.622e+03  0.00e+00 m   0 1008    0 1013 0
 160   7.048   1.621 131.012 4 U          1.869e+03  0.00e+00 m   0    0    0    0 0
 162   7.048   1.263 131.012 3 U          3.197e+03  0.00e+00 m   0 1008 1386 1013 0
 163   7.048   1.096 131.012 3 U          5.278e+03  0.00e+00 m   0 1008 1430 1013 0
 164   7.048   0.767 131.012 3 U          7.385e+03  0.00e+00 m   0 1008 1033 1013 0
 165   7.048   0.536 131.012 3 U          3.414e+03  0.00e+00 m   0 1008 1071 1013 0
 166   7.048   0.287 131.012 3 U          3.016e+03  0.00e+00 m   0 1008    0 1013 0
 167   7.048  -0.071 131.012 3 U          2.232e+03  0.00e+00 m   0 1008 1072 1013 0
 168   6.891   2.389 128.400 3 U          4.641e+03  0.00e+00 m   0 1016    0 1015 0
 169   6.891   2.279 128.400 3 U          3.885e+03  0.00e+00 m   0 1016    0 1015 0
 170   6.891   2.089 128.400 3 U          4.794e+03  0.00e+00 m   0 1016    0 1015 0
 171   6.891   1.910 128.400 3 U          2.039e+03  0.00e+00 m   0 1016    0 1015 0
 174   6.891   1.096 128.400 3 U          5.768e+03  0.00e+00 m   0 1016 1430 1015 0
 176   6.891   1.263 128.400 3 U          3.446e+03  0.00e+00 m   0 1016 1386 1015 0
 178   6.891   1.408 128.400 3 U          1.886e+03  0.00e+00 m   0 1016 1376 1015 0
 180   7.048   1.408 131.012 3 U          9.350e+03  0.00e+00 m   0 1008 1376 1013 0
 181   6.891   0.992 128.400 3 U          3.772e+03  0.00e+00 m   0 1016 1431 1015 0
 182   6.891   0.536 128.400 3 U          1.435e+03  0.00e+00 m   0 1016 1071 1015 0
 183   6.891  -0.059 128.400 3 U          1.971e+03  0.00e+00 m   0 1016 1072 1015 0
 184   7.397   3.204 125.835 3 U          1.560e+03  0.00e+00 m   0  633    0  631 0
 185   7.364   3.203 113.929 3 U          2.005e+03  0.00e+00 m   0  632    0  628 0
 186   7.364   2.609 113.929 3 U          3.377e+03  0.00e+00 m   0  632    0  628 0
 188   7.364   2.482 113.929 4 U          2.992e+03  0.00e+00 m   0    0    0    0 0
 189   7.364   2.291 113.929 4 U          1.361e+03  0.00e+00 m   0    0    0    0 0
 190   7.364   1.783 113.929 3 U          2.855e+03  0.00e+00 m   0  632    0  628 0
 191   7.364   1.338 113.929 4 U          2.948e+03  0.00e+00 m   0    0    0    0 0
 192   7.364   1.003 113.929 3 U          3.237e+03  0.00e+00 m   0  632    0  628 0
 193   7.364   0.894 113.929 4 U          1.991e+03  0.00e+00 m   0    0    0    0 0
 194   7.364   0.692 113.929 3 U          2.263e+03  0.00e+00 m   0  632    0  628 0
 195   7.364   0.293 113.929 3 U          9.450e+02  0.00e+00 m   0  632    0  628 0
 198   7.364  -0.648 113.929 3 U          2.618e+03  0.00e+00 m   0  632    0  628 0
 199   7.364  -0.740 113.929 3 U          1.642e+03  0.00e+00 m   0  632    0  628 0
 200   7.397   2.609 125.835 3 U          1.846e+03  0.00e+00 m   0  633  560  631 0
 201   7.397   2.476 125.835 4 U          2.414e+03  0.00e+00 m   0    0    0    0 0
 202   7.397   2.268 125.835 4 U          1.190e+03  0.00e+00 m   0    0    0    0 0
 203   7.397   1.783 125.835 3 U          2.059e+03  0.00e+00 m   0  633    0  631 0
 204   7.397   1.003 125.835 3 U          9.521e+03  0.00e+00 m   0  633    0  631 0
 205   7.397   0.738 125.835 3 U          2.948e+03  0.00e+00 m   0  633    0  631 0
 206   7.397   0.293 125.835 3 U          1.317e+03  0.00e+00 m   0  633    0  631 0
 207   7.397  -0.648 125.835 3 U          2.297e+03  0.00e+00 m   0  633    0  631 0
 208   7.113   0.951 120.141 3 U          2.192e+03  0.00e+00 m   0  626  641  622 0
 209   7.113   0.761 120.141 3 U          2.147e+03  0.00e+00 m   0  626  644  622 0
 210   7.113   0.287 120.141 3 U          1.891e+03  0.00e+00 m   0  626    0  622 0
 211   7.113  -0.648 120.141 3 U          1.761e+03  0.00e+00 m   0  626    0  622 0
 212   7.099   3.324 120.658 3 U          2.578e+03  0.00e+00 m   0  630  616  627 0
 213   7.099   3.132 120.658 3 U          1.769e+03  0.00e+00 m   0  630  558  627 0
 214   7.099   2.766 120.658 4 U          2.190e+03  0.00e+00 m   0    0    0    0 0
 215   7.099   0.999 120.658 3 U          2.932e+03  0.00e+00 m   0  630    0  627 0
 216   7.099   0.761 120.658 3 U          2.414e+03  0.00e+00 m   0  630  644  627 0
 217   7.099   0.285 120.658 3 U          1.460e+03  0.00e+00 m   0  630    0  627 0
 218   7.099  -0.640 120.658 3 U          1.737e+03  0.00e+00 m   0  630    0  627 0
 219   7.177   3.306 126.871 3 U          2.448e+03  0.00e+00 m   0  625  616  620 0
 220   7.177   2.753 126.871 3 U          8.873e+03  0.00e+00 m   0  625    0  620 0
 221   7.177   2.290 126.871 4 U          6.347e+03  0.00e+00 m   0    0    0    0 0
 222   7.177   2.104 126.871 4 U          2.226e+03  0.00e+00 m   0    0    0    0 0
 223   7.177   1.622 126.871 4 U          1.032e+04  0.00e+00 m   0    0    0    0 0
 224   7.177   0.902 126.871 4 U          2.263e+03  0.00e+00 m   0    0    0    0 0
 225   7.177   0.677 126.871 4 U          2.803e+03  0.00e+00 m   0    0    0    0 0
 226   7.177   0.305 126.871 3 U          2.084e+03  0.00e+00 m   0  625    0  620 0
 227   7.177  -0.646 126.871 3 U          1.795e+03  0.00e+00 m   0  625    0  620 0
 228   6.541   3.248 118.070 3 U          1.857e+03  0.00e+00 m   0  289    0  294 0
 229   6.541   2.779 118.070 3 U          5.270e+03  0.00e+00 m   0  289  287  294 0
 230   6.541   2.406 118.070 3 U          3.426e+03  0.00e+00 m   0  289  366  294 0
 231   6.541   2.278 118.070 3 U          9.669e+03  0.00e+00 m   0  289  328  294 0
 232   6.541   2.046 118.070 3 U          7.033e+03  0.00e+00 m   0  289  367  294 0
 233   6.541   1.905 118.070 4 U          1.686e+04  0.00e+00 m   0    0    0    0 0
 234   6.541   1.603 118.070 3 U          1.849e+03  0.00e+00 m   0  289    0  294 0
 235   6.541   1.429 118.070 4 U          1.719e+03  0.00e+00 m   0    0    0    0 0
 236   6.541   1.282 118.070 3 U          2.138e+03  0.00e+00 m   0  289  347  294 0
 237   6.541   0.889 118.070 3 U          6.644e+03  0.00e+00 m   0  289    0  294 0
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 320   7.036   7.720 120.658 3 U          1.492e+03  0.00e+00 m   0  277  264  273 0
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 325   7.113   7.386 120.141 3 U          5.768e+03  0.00e+00 m   0  626  633  622 0
