# Number of dimensions 3
#INAME 1 1H
#INAME 2 1H
#INAME 3 13C
   2   7.019   7.019 113.405 1 U          1.356e+04  0.00e+00 m   0  837  837  833 0
   3   7.142   7.158 113.923 4 U          1.387e+04  0.00e+00 m   0    0    0    0 0
   4   6.578   6.578 118.325 1 U          1.098e+05  0.00e+00 m   0  747  747  752 0
   5   6.655   6.677 118.066 4 U          8.343e+04  0.00e+00 m   0    0    0    0 0
   6   6.719   6.719 118.325 1 U          1.442e+05  0.00e+00 m   0  504  504  509 0
   7   6.741   6.738 118.325 1 U          1.142e+05  0.00e+00 m   0 1715 1715 1720 0
   8   7.025   7.025 120.397 1 U          9.268e+04  0.00e+00 m   0 1750 1750 1746 0
   9   7.002   7.002 120.397 1 U          3.872e+04  0.00e+00 m   0 1160 1160 1156 0
  10   6.083   6.083 121.691 1 U          3.686e+03  0.00e+00 m   0 1164 1164 1161 0
  11   6.843   6.843 122.468 1 U          5.455e+03  0.00e+00 m   0  835  835  832 0
  12   6.800   6.800 123.504 1 U          7.317e+03  0.00e+00 m   0 1167 1167 1165 0
  13   8.134   8.134 123.763 1 U          7.623e+03  0.00e+00 m   0  831  831  827 0
  14   6.960   6.970 124.281 1 U          1.195e+04  0.00e+00 m   0  838  838  836 0
  15   6.356   6.356 126.353 1 U          1.404e+04  0.00e+00 m   0 1159 1159 1154 0
  16   7.159   7.159 126.612 1 U          2.047e+04  0.00e+00 m   0  830  830  825 0
  17   6.724   6.724 128.424 4 U          2.240e+04  0.00e+00 m   0    0    0    0 0
  18   7.044   7.059 128.683 4 U          1.941e+04  0.00e+00 m   0    0    0    0 0
  19   6.132   6.151 130.237 4 U          7.907e+03  0.00e+00 m   0    0    0    0 0
  20   6.573   6.579 129.978 1 U          2.272e+04  0.00e+00 m   0 1453 1453 1458 0
  21   6.454   6.449 129.719 1 U          9.805e+03  0.00e+00 m   0 1206 1206 1211 0
  22   6.874   6.914 129.719 4 U          2.198e+04  0.00e+00 m   0    0    0    0 0
  23   7.213   7.208 129.201 4 U          8.328e+03  0.00e+00 m   0    0    0    0 0
  24   7.165   7.236 129.719 4 U          2.169e+04  0.00e+00 m   0    0    0    0 0
  25   7.034   7.040 129.978 4 U          2.336e+04  0.00e+00 m   0    0    0    0 0
  26   6.991   6.998 130.755 4 U          7.462e+04  0.00e+00 m   0    0    0    0 0
  27   7.030   7.030 131.014 1 U          5.418e+04  0.00e+00 m   0  527  527  532 0
  28   6.160   6.160 131.791 1 U          3.159e+04  0.00e+00 m   0 1452 1452 1456 0
  29   6.082   6.082 132.050 1 U          1.342e+04  0.00e+00 m   0  117  117  121 0
  30   6.354   6.354 132.826 1 U          2.818e+04  0.00e+00 m   0  503  503  507 0
  31   7.542   7.542 132.050 1 U          2.850e+04  0.00e+00 m   0  526  526  530 0
  32   6.892   6.901 131.532 1 U          2.301e+04  0.00e+00 m   0 1070 1070 1074 0
  33   7.253   7.319 131.532 4 U          1.550e+04  0.00e+00 m   0    0    0    0 0
  34   7.277   7.277 132.050 1 U          9.512e+04  0.00e+00 m   0  591  591  595 0
  35   7.127   7.127 132.050 1 U          4.473e+04  0.00e+00 m   0 1608 1608 1612 0
  36   7.185   7.185 132.826 1 U          9.024e+04  0.00e+00 m   0  746  746  750 0
  37   6.788   6.761 133.344 1 U          2.981e+04  0.00e+00 m   0 1631 1631 1635 0
  38   6.892   6.901 132.826 4 U          3.890e+04  0.00e+00 m   0    0    0    0 0
  39   6.963   6.971 133.344 1 U          5.799e+04  0.00e+00 m   0 1714 1714 1718 0
  40   7.109   7.109 133.085 1 U          3.966e+04  0.00e+00 m   0  452  452  456 0
  41   7.225   7.250 132.050 4 U          2.945e+04  0.00e+00 m   0    0    0    0 0
  42   7.919   7.919 138.523 1 U          1.563e+05  0.00e+00 m   0 1751 1751 1748 0
  43   5.484   5.491 132.567 1 U          4.840e+03  0.00e+00 m   0 1205 1205 1209 0
  44   5.348   5.365 129.201 4 U          8.460e+02  0.00e+00 m   0    0    0    0 0
  47   7.025   3.095 120.397 1 U          1.852e+03  0.00e+00 m   0 1160 1151 1156 0
  48   7.025   4.787 120.397 4 U          5.700e+02  0.00e+00 m   0    0    0    0 0
  49   7.919   4.809 138.523 4 U          7.510e+02  0.00e+00 m   0    0    0    0 0
  50   7.159   2.399 126.612 1 U          9.000e+02  0.00e+00 m   0  830 1200  825 0
  51   7.159   2.620 126.612 4 U          4.800e+02  0.00e+00 m   0    0    0    0 0
  52   7.159   2.994 126.612 1 U          1.806e+03  0.00e+00 m   0  830 1189  825 0
  53   7.159   3.189 126.612 1 U          2.386e+03  0.00e+00 m   0  830 1188  825 0
  54   7.159   3.359 126.612 4 U          1.894e+03  0.00e+00 m   0    0    0    0 0
  55   7.159   4.811 126.612 1 U          6.710e+02  0.00e+00 m   0  830  819  825 0
  56   7.159   5.490 126.612 3 U          5.950e+02  0.00e+00 m   0  830 1205  825 0
  57   7.159   4.437 126.612 3 U          5.520e+02  0.00e+00 m   0  830 1186  825 0
  58   8.134   6.841 123.763 1 U          1.826e+03  0.00e+00 m   0  831  835  827 0
  59   8.134   6.467 123.763 3 U          7.370e+02  0.00e+00 m   0  831 1206  827 0
  60   8.134   5.660 123.763 4 U          1.361e+03  0.00e+00 m   0    0    0    0 0
  61   8.134   5.482 123.763 3 U          1.059e+03  0.00e+00 m   0  831 1205  827 0
  62   8.134   3.361 123.763 4 U          9.950e+02  0.00e+00 m   0    0    0    0 0
  63   8.134   2.180 123.763 3 U          7.660e+02  0.00e+00 m   0  831  689  827 0
  64   8.134   1.183 123.763 3 U          6.790e+02  0.00e+00 m   0  831  690  827 0
  65   6.843   8.144 122.468 1 U          1.243e+03  0.00e+00 m   0  835  831  832 0
  66   6.843   2.838 122.468 4 U          4.700e+02  0.00e+00 m   0    0    0    0 0
  67   6.843   3.594 122.468 4 U          4.220e+02  0.00e+00 m   0    0    0    0 0
  68   8.134   9.687 123.763 1 U          1.441e+03  0.00e+00 m   0  831  817  827 0
  69   7.159   7.983 126.612 1 U          6.190e+02  0.00e+00 m   0  830 1193  825 0
  70   7.159   8.964 126.612 4 U          4.980e+02  0.00e+00 m   0    0    0    0 0
  71   7.159   9.703 126.612 1 U          4.470e+02  0.00e+00 m   0  830  817  825 0
  72   7.019   3.771 113.405 4 U          6.940e+02  0.00e+00 m   0    0    0    0 0
  73   7.019   2.967 113.405 3 U          8.280e+02  0.00e+00 m   0  837    0  833 0
  74   7.019   2.710 113.405 4 U          1.994e+03  0.00e+00 m   0    0    0    0 0
  75   7.019   5.780 113.405 4 U          4.400e+01  0.00e+00 m   0    0    0    0 0
  76   6.960   0.909 124.281 3 U          5.940e+02  0.00e+00 m   0  838    0  836 0
  77   6.960   1.681 124.281 4 U          8.490e+02  0.00e+00 m   0    0    0    0 0
  78   6.960   2.742 124.281 4 U          4.840e+02  0.00e+00 m   0    0    0    0 0
  79   6.960   3.079 124.281 4 U          5.130e+02  0.00e+00 m   0    0    0    0 0
  80   6.960   3.771 124.281 4 U          4.410e+02  0.00e+00 m   0    0    0    0 0
  81   6.356   0.282 126.353 4 U          1.177e+03  0.00e+00 m   0    0    0    0 0
  83   6.083   0.603 121.691 1 U          1.224e+03  0.00e+00 m   0 1164  694 1161 0
  84   7.142   0.298 113.923 1 U          1.891e+03  0.00e+00 m   0 1166 1226 1162 0
  85   6.800   0.603 123.504 1 U          1.015e+03  0.00e+00 m   0 1167  694 1165 0
  86   6.356   3.079 126.353 1 U          1.042e+03  0.00e+00 m   0 1159 1151 1154 0
  87   6.356   3.433 126.353 1 U          1.249e+03  0.00e+00 m   0 1159 1150 1154 0
  88   6.356   3.803 126.353 1 U          5.920e+02  0.00e+00 m   0 1159  338 1154 0
  89   6.356   4.912 126.353 4 U          1.184e+03  0.00e+00 m   0    0    0    0 0
  90   6.356   4.735 126.353 1 U          6.220e+02  0.00e+00 m   0 1159  309 1154 0
  91   6.356   8.144 126.353 4 U          1.343e+03  0.00e+00 m   0    0    0    0 0
  92   6.356  10.443 126.353 1 U          3.020e+03  0.00e+00 m   0 1159 1163 1154 0
  93   7.142  10.443 113.923 1 U          9.970e+02  0.00e+00 m   0 1166 1163 1162 0
  94   7.142   6.038 113.923 4 U          6.580e+02  0.00e+00 m   0    0    0    0 0
  95   6.800   7.147 123.504 1 U          2.582e+03  0.00e+00 m   0 1167 1166 1165 0
  96   6.800   6.086 123.504 1 U          1.584e+03  0.00e+00 m   0 1167 1164 1165 0
  97   6.800   5.475 123.504 3 U          6.020e+02  0.00e+00 m   0 1167 1205 1165 0
  98   6.083   6.793 121.691 1 U          1.522e+03  0.00e+00 m   0 1164 1167 1161 0
  99   6.083   7.002 121.691 1 U          1.480e+03  0.00e+00 m   0 1164 1160 1161 0
 100   7.002   6.086 120.397 1 U          1.789e+03  0.00e+00 m   0 1160 1164 1156 0
 101   7.002   4.398 120.397 1 U          1.815e+03  0.00e+00 m   0 1160 1148 1156 0
 102   7.002   1.841 120.397 4 U          6.810e+02  0.00e+00 m   0    0    0    0 0
 103   7.002   1.054 120.397 1 U          5.980e+02  0.00e+00 m   0 1160  859 1156 0
 104   7.002   0.893 120.397 4 U          5.270e+02  0.00e+00 m   0    0    0    0 0
 105   7.002   0.587 120.397 1 U          2.116e+03  0.00e+00 m   0 1160  694 1156 0
 106   7.002   0.282 120.397 4 U          1.070e+03  0.00e+00 m   0    0    0    0 0
 107   6.083   0.218 121.691 2 U          7.290e+02  0.00e+00 m   0 1164  352 1161 0
 108   6.083   0.941 121.691 1 U          5.360e+02  0.00e+00 m   0 1164 1415 1161 0
 109   7.142   0.555 113.923 1 U          1.488e+03  0.00e+00 m   0 1166  353 1162 0
 110   7.142   1.247 113.923 1 U          1.518e+03  0.00e+00 m   0 1166 1414 1162 0
 111   6.800   0.250 123.504 2 U          9.080e+02  0.00e+00 m   0 1167  352 1165 0
 112   6.800   0.314 123.504 1 U          7.550e+02  0.00e+00 m   0 1167 1226 1165 0
 113   6.800   0.925 123.504 1 U          7.780e+02  0.00e+00 m   0 1167 1415 1165 0
 114   6.800   1.247 123.504 1 U          1.468e+03  0.00e+00 m   0 1167 1414 1165 0
 115   6.356   9.397 126.353 1 U          5.630e+02  0.00e+00 m   0 1159 1170 1154 0
 116   7.019  11.634 113.405 1 U          1.544e+03  0.00e+00 m   0  837  834  833 0
 117   7.159  11.634 126.612 1 U          2.707e+03  0.00e+00 m   0  830  834  825 0
 118   6.788   5.265 133.344 1 U          9.890e+02  0.00e+00 m   0 1631 1626 1635 0
 119   6.788   1.608 133.344 1 U          8.560e+02  0.00e+00 m   0 1631  715 1635 0
 120   6.788   2.108 133.344 1 U          6.650e+02  0.00e+00 m   0 1631 1472 1635 0
 121   6.788   0.937 133.344 3 U          1.359e+03  0.00e+00 m   0 1631 1473 1635 0
 122   6.788   1.130 133.344 1 U          1.014e+03  0.00e+00 m   0 1631  712 1635 0
 123   6.655   2.721 118.066 4 U          9.260e+02  0.00e+00 m   0    0    0    0 0
 124   6.655   0.835 118.066 2 U          1.905e+03  0.00e+00 m   0 1632    0 1637 0
 125   6.655   0.949 118.066 1 U          1.562e+03  0.00e+00 m   0 1632 1473 1637 0
 126   6.655   1.608 118.066 1 U          9.740e+02  0.00e+00 m   0 1632  715 1637 0
 127   6.655   4.766 118.066 4 U          6.990e+02  0.00e+00 m   0    0    0    0 0
 128   6.788   8.010 133.344 1 U          5.530e+02  0.00e+00 m   0 1631  729 1635 0
 129   6.788   8.558 133.344 1 U          4.800e+02  0.00e+00 m   0 1631 1647 1635 0
 130   6.788   9.254 133.344 4 U          4.110e+02  0.00e+00 m   0    0    0    0 0
 131   6.788   9.549 133.344 4 U          1.066e+03  0.00e+00 m   0    0    0    0 0
 132   6.655   7.968 118.066 4 U          6.410e+02  0.00e+00 m   0    0    0    0 0
 133   6.655   8.980 118.066 4 U          5.160e+02  0.00e+00 m   0    0    0    0 0
 134   6.963   4.846 133.344 4 U          1.460e+03  0.00e+00 m   0    0    0    0 0
 135   6.963   5.073 133.344 3 U          5.830e+02  0.00e+00 m   0 1714 1358 1718 0
 136   6.963   4.403 133.344 4 U          5.400e+02  0.00e+00 m   0    0    0    0 0
 137   6.963   2.994 133.344 1 U          3.076e+03  0.00e+00 m   0 1714 1711 1718 0
 138   6.963   2.664 133.344 4 U          3.321e+03  0.00e+00 m   0    0    0    0 0
 139   6.963   1.801 133.344 4 U          1.622e+03  0.00e+00 m   0    0    0    0 0
 140   6.963   1.949 133.344 1 U          1.367e+03  0.00e+00 m   0 1714 1432 1718 0
 141   6.963   0.506 133.344 3 U          1.197e+03  0.00e+00 m   0 1714    0 1718 0
 142   6.963   0.824 133.344 4 U          8.210e+02  0.00e+00 m   0    0    0    0 0
 143   6.963   6.743 133.344 1 U          1.741e+04  0.00e+00 m   0 1714 1715 1718 0
 144   6.741   6.971 118.325 1 U          1.675e+04  0.00e+00 m   0 1715 1714 1720 0
 145   6.963   8.685 133.344 1 U          6.880e+02  0.00e+00 m   0 1714 1730 1718 0
 146   6.963   9.317 133.344 4 U          1.715e+03  0.00e+00 m   0    0    0    0 0
 148   6.741   9.296 118.325 3 U          8.240e+02  0.00e+00 m   0 1715 1427 1720 0
 149   6.741   5.092 118.325 1 U          9.510e+02  0.00e+00 m   0 1715 1429 1720 0
 150   6.741   0.486 118.325 4 U          1.715e+03  0.00e+00 m   0    0    0    0 0
 151   6.741   0.849 118.325 3 U          1.269e+03  0.00e+00 m   0 1715    0 1720 0
 152   6.741   2.457 118.325 1 U          2.158e+03  0.00e+00 m   0 1715 1431 1720 0
 153   6.741   1.938 118.325 1 U          3.573e+03  0.00e+00 m   0 1715 1432 1720 0
 154   7.127   6.141 132.050 3 U          1.650e+03  0.00e+00 m   0 1608 1452 1612 0
 155   7.127   6.334 132.050 4 U          7.370e+02  0.00e+00 m   0    0    0    0 0
 156   7.127   5.846 132.050 1 U          7.330e+02  0.00e+00 m   0 1608 1603 1612 0
 157   7.127   5.334 132.050 1 U          1.113e+03  0.00e+00 m   0 1608  687 1612 0
 158   7.127   3.255 132.050 4 U          1.190e+03  0.00e+00 m   0    0    0    0 0
 159   7.127   3.073 132.050 1 U          2.445e+03  0.00e+00 m   0 1608 1605 1612 0
 160   7.127   2.778 132.050 1 U          2.119e+03  0.00e+00 m   0 1608 1606 1612 0
 161   7.127   2.176 132.050 1 U          2.246e+03  0.00e+00 m   0 1608  689 1612 0
 162   7.127   1.449 132.050 1 U          1.055e+03  0.00e+00 m   0 1608 1450 1612 0
 163   7.127   1.187 132.050 1 U          6.170e+02  0.00e+00 m   0 1608  690 1612 0
 164   7.127   0.949 132.050 3 U          1.546e+03  0.00e+00 m   0 1608  662 1612 0
 165   7.127   0.824 132.050 1 U          2.420e+03  0.00e+00 m   0 1608  663 1612 0
 166   7.127   0.608 132.050 1 U          2.312e+03  0.00e+00 m   0 1608  694 1612 0
 167   7.127   0.267 132.050 3 U          8.660e+02  0.00e+00 m   0 1608    0 1612 0
 168   6.788   2.783 133.344 1 U          1.727e+03  0.00e+00 m   0 1631 1629 1635 0
 169   7.919   1.792 138.523 4 U          4.890e+02  0.00e+00 m   0    0    0    0 0
 170   7.002   1.392 120.397 4 U          5.510e+02  0.00e+00 m   0    0    0    0 0
 171   6.741   2.699 118.325 1 U          1.658e+03  0.00e+00 m   0 1715 1712 1720 0
 172   7.127   8.866 132.050 4 U          7.070e+02  0.00e+00 m   0    0    0    0 0
 173   7.127   8.958 132.050 4 U          6.000e+02  0.00e+00 m   0    0    0    0 0
 174   7.127   9.563 132.050 1 U          1.456e+03  0.00e+00 m   0 1608 1624 1612 0
 175   7.159   0.886 126.612 4 U          4.020e+02  0.00e+00 m   0    0    0    0 0
 177   6.578   4.802 118.325 4 U          6.220e+02  0.00e+00 m   0    0    0    0 0
 178   6.578   3.347 118.325 4 U          9.000e+02  0.00e+00 m   0    0    0    0 0
 179   6.578   0.846 118.325 1 U          1.725e+03  0.00e+00 m   0  747 1679  752 0
 180   6.578   1.063 118.325 4 U          9.140e+02  0.00e+00 m   0    0    0    0 0
 181   6.578   1.458 118.325 1 U          1.083e+03  0.00e+00 m   0  747 1676  752 0
 182   6.578   7.172 118.325 1 U          1.666e+04  0.00e+00 m   0  747  746  752 0
 183   6.578   8.568 118.325 4 U          5.440e+02  0.00e+00 m   0    0    0    0 0
 184   7.185   8.568 132.826 4 U          1.697e+03  0.00e+00 m   0    0    0    0 0
 185   7.185   8.054 132.826 4 U          8.940e+02  0.00e+00 m   0    0    0    0 0
 187   7.185   6.573 132.826 1 U          1.959e+04  0.00e+00 m   0  746  747  750 0
 188   7.185   5.337 132.826 4 U          6.900e+02  0.00e+00 m   0    0    0    0 0
 189   7.185   4.673 132.826 4 U          1.538e+03  0.00e+00 m   0    0    0    0 0
 190   7.185   3.356 132.826 4 U          3.024e+03  0.00e+00 m   0    0    0    0 0
 191   7.185   3.050 132.826 4 U          2.630e+03  0.00e+00 m   0    0    0    0 0
 192   7.185   1.480 132.826 1 U          8.530e+02  0.00e+00 m   0  746 1676  750 0
 193   7.185   1.048 132.826 4 U          5.930e+02  0.00e+00 m   0    0    0    0 0
 194   7.185   0.816 132.826 4 U          1.229e+03  0.00e+00 m   0    0    0    0 0
 195   7.185   0.531 132.826 1 U          9.740e+02  0.00e+00 m   0  746 1670  750 0
 196   6.719   6.350 118.325 1 U          1.046e+04  0.00e+00 m   0  504  503  509 0
 197   6.719   4.773 118.325 3 U          1.741e+03  0.00e+00 m   0 1715 1384 1720 0
 198   6.719   4.444 118.325 1 U          1.731e+03  0.00e+00 m   0  504  498  509 0
 199   6.719   4.291 118.325 1 U          1.849e+03  0.00e+00 m   0  504  447  509 0
 200   6.719   3.864 118.325 4 U          9.040e+02  0.00e+00 m   0    0    0    0 0
 201   6.719   8.671 118.325 4 U          9.970e+02  0.00e+00 m   0    0    0    0 0
 202   6.719   7.872 118.325 4 U          6.870e+02  0.00e+00 m   0    0    0    0 0
 203   6.719   1.495 118.325 4 U          4.370e+02  0.00e+00 m   0    0    0    0 0
 204   6.719   0.277 118.325 1 U          1.454e+03  0.00e+00 m   0  504   79  509 0
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 207   6.719   2.963 118.325 1 U          1.435e+03  0.00e+00 m   0  504 1535  509 0
 208   6.354   4.446 132.826 1 U          3.948e+03  0.00e+00 m   0  503  498  507 0
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 245   7.142   6.807 113.923 1 U          3.108e+03  0.00e+00 m   0 1166 1167 1162 0
 246   7.142   4.477 113.923 1 U          6.910e+02  0.00e+00 m   0 1166  291 1162 0
 247   7.142   1.876 113.923 3 U          5.030e+02  0.00e+00 m   0 1166 1225 1162 0
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 306   6.160   6.552 131.791 1 U          6.733e+03  0.00e+00 m   0 1452 1453 1456 0
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 312   6.573   6.144 129.978 3 U          5.359e+03  0.00e+00 m   0 1453 1452 1458 0
 313   6.573   2.137 129.978 3 U          1.363e+03  0.00e+00 m   0 1453    0 1458 0
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 315   6.573   0.338 129.978 4 U          1.409e+03  0.00e+00 m   0    0    0    0 0
 316   6.573   0.602 129.978 3 U          2.184e+03  0.00e+00 m   0 1453  694 1458 0
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 319   6.573   6.720 129.978 4 U          4.300e+03  0.00e+00 m   0    0    0    0 0
