* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    129    194     386
    1     0 S   NP   _N1_     1    29.08330    94.38029   -25.10689
    2     1 S   H    _HN1     2     1.02948    88.75107     2.55328
    3     1 S   H    _H1_     3     1.02827    18.34096  -177.46426
    4     1 S   H    _H2_     4     1.02789   115.14966  -107.19832
    5     1 S   CT   _CA1     5     1.50118   119.02936   115.30662
    6     5 S   HC   _HA1     6     1.09572   105.18577    77.36182
    7     5 S   CO3  _C1_     7     1.53776   112.44739   -42.88407
    8     7 S   O2Z  _O11     8     1.26375   115.00621   -42.98443
    9     7 S   O2Z  _O12     9     1.26234   114.94217   136.08963
   10     5 S   CT   _CB1    10     1.53066   107.41027  -164.65629
   11    10 S   HC   HB11    11     1.09837   109.36342   -49.48684
   12    10 S   HC   HB12    12     1.09812   110.45824    67.11279
   13    10 S   CT   _CG1    13     1.53007   112.62545  -170.43532
   14    13 S   HC   HG11    14     1.09576   110.69227   -66.24684
   15    13 S   HC   HG12    15     1.09669   109.74227    53.00271
   16    13 S   C    _CD1    16     1.51803   112.08689   173.48227
   17    16 S   O    _OE1    17     1.22749   123.22562     9.72644
   18    16 S   N    _N2_    18     1.38643   111.76720  -170.33478
   19    18 S   H    _HN2    19     1.01579   118.99160     1.42821
   20    18 S   CT1  _CA2    20     1.46220   123.38706   177.38768
   21    20 S   HC   _HA2    21     1.09741   109.27036     6.38709
   22    20 S   C    _C2_    22     1.53625   108.90449  -109.13106
   23    22 S   O    _O2_    23     1.23074   122.25946  -148.98852
   24    20 S   CT   _CB2    32     1.53301   111.58539   128.27245
   25    24 S   HC   HB21    33     1.09595   110.12150    56.65278
   26    24 S   HC   HB22    34     1.09415   110.04683   175.68661
   27    22 S   N    _N3_    24     1.38318   113.84396    38.54439
   28    27 S   H    _HN3    25     1.01554   119.62464    -3.35521
   29    24 S   S    _SG2    35     1.82721   111.46953   -63.95268
   30    27 S   CT   _CA3    26     1.45281   123.23175   177.10951
   31    30 S   HC   HA31    27     1.09549   107.51391   -64.49529
   32    30 S   HC   HA32    28     1.09556   107.98815    51.94952
   33    29 S   CT   _C11    36     1.86674    99.54120  -179.69868
   34    33 S   HC   _H8_    37     1.09988   105.96278   -16.19910
   35    30 S   CO3  _C3_    29     1.52964   114.06725   173.93195
   36    35 S   O2Z  _O31    30     1.26380   116.08050    -0.99721
   37    35 S   O2Z  _O32    31     1.26428   114.40983   179.06791
   38    33 S   CT   _C10    38     1.54685   106.97133    99.10568
   39    38 S   HC   _H11    39     1.09649   111.22887    53.20417
   40    38 S   HC   _H12    40     1.09542   110.57694   173.31977
   41    33 S   CT   _C12    64     1.57577   111.55913  -134.87728
   42    41 S   OM   _O36    65     1.32360   108.29624   174.57288
   43    38 S   OS1  _O34    41     1.43119   109.46361   -68.51256
   44    41 S   CZ   _C14    66     1.48579   109.54365    58.18046
   45    44 S   NZ   _N4_    67     1.16184   179.09951   -86.48956
   46    41 S   CT   _C13    68     1.55455   112.68227   -64.70666
   47    46 S   HC   _H13    69     1.09565   111.34481    62.41527
   48    46 S   HC   _H14    70     1.09636   111.68729   -57.30451
   49    43 S   CO1  _C9_    42     1.43224   112.61356   177.17492
   50    49 S   HC   _H7_    43     1.09829   108.51758    50.86450
   51    46 S   OH   _O35    71     1.43126   113.63233  -177.49407
   52    51 S   HO   _H15    72     0.97139   107.79100   -51.83944
   53    49 S   CT   _C8_    44     1.53376   107.26302   170.08158
   54    53 S   HC   _H6_    45     1.09691   109.94572    52.42598
   55    53 S   CT   _C7_    46     1.53072   111.25767   174.37231
   56    55 S   HC   _H5_    47     1.09668   110.23535    73.74949
   57    53 S   OH5  _O37    62     1.42947   110.06186   -64.28977
   58    57 S   HO   _H16    63     0.97220   108.20939   -59.09636
   59    55 S   CT   _C6_    48     1.53170   111.35098   -48.93881
   60    59 S   HC   _H4_    49     1.09705   109.06951   -71.38029
   61    55 S   OH5  _O38    60     1.42952   109.65991  -170.36771
   62    61 S   HO   _H17    61     0.97246   108.12391    60.00071
   63    59 S   CT   _C5_    50     1.53216   110.63378    49.86437
   64    63 S   HC   _H3_    51     1.09834   110.94587    64.05536
   65    59 S   OH5  _O39    58     1.42601   109.68878   171.76195
   66    65 S   HO   _H18    59     0.97254   108.21164   -57.78523
   67    49 S   OS1  _O33    52     1.42845   110.67402   -70.11426
   68    63 S   CT   _C4_    53     1.52981   111.54542  -175.10431
   69    68 S   HC   _H9_    54     1.09504   111.00249    69.72964
   70    68 S   HC   _H10    55     1.09395   111.58716   -52.70036
   71    68 S   OH5  _O40    56     1.42504   109.02528  -171.61311
   72    71 S   HO   _H19    57     0.97238   107.03202  -177.61714
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  11   4   3   9   6   8   5   1   4   3   2
  13   6   1   1  12   7  13   7   4   1  12   7   3   1   9   6
   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    49    41    42    44    45    46    47    48    51  
   38    39    40    43    41    42    44    46  
   36    37  
   37  
    0  
   39    40    43    49    50    53    67    41    42    44    46  
   40    43    49    41  
   43    49    41  
   42    44    45    46    47    48    51    52    43  
   44    45    46    47    48    51  
   49    50    53    54    55    63    67    57  
   45    46    47    48    51  
   46  
   47    48    51    52  
   48    51    52  
   51    52  
   50    53    54    55    56    59    63    64    67    68    61    57    58  
   53    54    55    63    67    57  
   52  
    0  
   54    55    56    59    60    63    67    65    61    62    57    58  
   55    56    59    67    61    57    58  
   56    59    60    63    64    67    68    65    66    61    62    57    58  
   59    60    63    65    61    62    57  
   58    59    61    67  
    0  
   60    63    64    67    68    69    70    71    65    66    61    62  
   63    64    67    68    65    66    61  
   62    63    65  
    0  
   64    67    68    69    70    71    72    65    66  
   67    68    69    70    71    65  
   66    67    68  
    0  
   68    69    70    71  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.3000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   45   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   46   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   335.000  1.422
   43    49   370.000  1.399
   49    50   360.000  1.097
   49    53   255.000  1.525
   49    67   370.000  1.399
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    57   355.000  1.421
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   355.000  1.421
   63    64   340.000  1.090
   63    67   335.000  1.422
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   355.000  1.421
   71    72   580.000  0.967
   65    66   580.000  0.967
   61    62   580.000  0.967
   57    58   580.000  0.967
   41    42   570.000  1.307
   41    44   390.000  1.470
   41    46   268.000  1.529
   44    45   650.000  1.157
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   320.000  1.410
   51    52   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    95.00000  107.88500
   33    41    42    50.00000  109.50000
   33    41    44    58.35000  112.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    49    90.00000  112.10700
   40    38    39    33.00000  107.80000
   43    38    39    55.00000  108.98800
   43    38    40    55.00000  108.98800
   43    49    50    60.00000  105.75400
   43    49    53    90.00000  109.70700
   43    49    67   110.00000  113.16000
   49    53    54    45.00000  109.54000
   49    53    55    70.00000  111.10000
   49    53    57    90.00000  109.42000
   49    67    63    90.00000  112.10700
   53    49    50    45.00000  111.65000
   53    55    56    37.50000  110.70000
   53    55    59    58.35000  112.70000
   53    55    61    90.00000  111.45300
   53    57    58    65.00000  108.53500
   55    53    54    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    65    90.00000  111.45300
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    67    95.00000  107.88500
   59    63    68    58.35000  112.70000
   59    65    66    65.00000  108.53500
   63    59    60    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    90.00000  111.45300
   67    49    50    60.00000  105.75400
   67    49    53    90.00000  109.70700
   67    63    64    55.00000  108.98800
   68    63    64    37.50000  110.70000
   68    63    67    95.00000  107.88500
   68    71    72    65.00000  108.53500
   70    68    69    33.00000  107.80000
   71    68    69    60.00000  109.39000
   71    68    70    60.00000  109.39000
   65    59    60    60.00000  109.39000
   65    59    63    90.00000  111.45300
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
   57    53    54    60.00000  109.39000
   57    53    55    90.00000  111.45300
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    44    45   150.00000  180.00000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    50.00000  109.50000
   44    41    42    90.00000  109.17800
   46    41    42    50.00000  109.50000
   46    41    44    58.35000  112.70000
   46    51    52    55.00000  108.50000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    49   0.06250  1.0 1.0
   33    38    43    49  -0.01100 -1.0 2.0
   33    38    43    49   0.28050  1.0 3.0
   33    41    44    45   0.00000  1.0 1.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    51   0.86500  1.0 1.0
   33    41    46    51  -0.17500 -1.0 2.0
   33    41    46    51   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    44  -0.74000  1.0 1.0
   38    33    41    44   0.24050 -1.0 2.0
   38    33    41    44   0.24650  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    49    50   0.37050  1.0 3.0
   38    43    49    53   0.06250  1.0 1.0
   38    43    49    53  -0.01100 -1.0 2.0
   38    43    49    53   0.28050  1.0 3.0
   38    43    49    67  -0.12700  1.0 1.0
   38    43    49    67  -1.16200 -1.0 2.0
   38    43    49    67   0.58800  1.0 3.0
   39    38    43    49   0.37050  1.0 3.0
   40    38    43    49   0.37050  1.0 3.0
   43    49    53    54   0.23400  1.0 3.0
   43    49    53    55   0.62750  1.0 1.0
   43    49    53    55  -0.30950 -1.0 2.0
   43    49    53    55   0.27300  1.0 3.0
   43    49    53    57   1.51850  1.0 1.0
   43    49    67    63  -0.70400  1.0 1.0
   43    49    67    63  -0.90350 -1.0 2.0
   49    53    55    56   0.15000  1.0 3.0
   49    53    55    59   0.56750  1.0 1.0
   49    53    55    59  -0.07550 -1.0 2.0
   49    53    55    59   0.20000  1.0 3.0
   49    53    55    61  -0.47750  1.0 1.0
   49    53    57    58   0.29150  1.0 1.0
   49    53    57    58  -0.28350 -1.0 2.0
   49    53    57    58   0.43600  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    57   0.23400  1.0 3.0
   50    49    67    63   0.37050  1.0 3.0
   53    49    67    63   0.06250  1.0 1.0
   53    49    67    63  -0.01100 -1.0 2.0
   53    49    67    63   0.28050  1.0 3.0
   53    55    59    60   0.15000  1.0 3.0
   53    55   -59    63   0.56750  1.0 1.0
   53    55   -59    63  -0.07550 -1.0 2.0
   53    55   -59    63   0.20000  1.0 3.0
   53    55    59    65  -0.47750  1.0 1.0
   53    55    61    62   0.29150  1.0 1.0
   53    55    61    62  -0.28350 -1.0 2.0
   53    55    61    62   0.43600  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    59   0.15000  1.0 3.0
   54    53    55    61   0.23400  1.0 3.0
   54    53    57    58   0.19450  1.0 3.0
   55    53    57    58   0.29150  1.0 1.0
   55    53    57    58  -0.28350 -1.0 2.0
   55    53    57    58   0.43600  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    67   0.62750  1.0 1.0
   55    59    63    67  -0.30950 -1.0 2.0
   55    59    63    67   0.27300  1.0 3.0
   55    59    63    68   0.56750  1.0 1.0
   55    59    63    68  -0.07550 -1.0 2.0
   55    59    63    68   0.20000  1.0 3.0
   55    59    65    66   0.29150  1.0 1.0
   55    59    65    66  -0.28350 -1.0 2.0
   55    59    65    66   0.43600  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    65   0.23400  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    63   -67    49   0.06250  1.0 1.0
   59    63   -67    49  -0.01100 -1.0 2.0
   59    63   -67    49   0.28050  1.0 3.0
   59    63    68    69   0.15000  1.0 3.0
   59    63    68    70   0.15000  1.0 3.0
   59    63    68    71  -0.47750  1.0 1.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    67   0.23400  1.0 3.0
   60    59    63    68   0.15000  1.0 3.0
   60    59    65    66   0.19450  1.0 3.0
   63    59    65    66   0.29150  1.0 1.0
   63    59    65    66  -0.28350 -1.0 2.0
   63    59    65    66   0.43600  1.0 3.0
   63    68    71    72   0.29150  1.0 1.0
   63    68    71    72  -0.28350 -1.0 2.0
   63    68    71    72   0.43600  1.0 3.0
   64    63    67    49   0.37050  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.23400  1.0 3.0
   67    49    53    54   0.23400  1.0 3.0
   67    49   -53    55   0.62750  1.0 1.0
   67    49   -53    55  -0.30950 -1.0 2.0
   67    49   -53    55   0.27300  1.0 3.0
   67    49    53    57   1.51850  1.0 1.0
   67    63    68    69   0.23400  1.0 3.0
   67    63    68    70   0.23400  1.0 3.0
   67    63    68    71   1.51850  1.0 1.0
   68    63    67    49   0.06250  1.0 1.0
   68    63    67    49  -0.01100 -1.0 2.0
   68    63    67    49   0.28050  1.0 3.0
   69    68    71    72   0.19450  1.0 3.0
   70    68    71    72   0.19450  1.0 3.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    67   1.51850  1.0 1.0
   65    59    63    68  -0.47750  1.0 1.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63  -0.47750  1.0 1.0
   61    55    59    65   3.77950  1.0 1.0
   57    53    55    56   0.23400  1.0 3.0
   57    53    55    59  -0.47750  1.0 1.0
   57    53    55    61   3.77950  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.62750  1.0 1.0
   41    33    38    43  -0.30950 -1.0 2.0
   41    33    38    43   0.27300  1.0 3.0
   41    46    51    52  -0.11600  1.0 1.0
   41    46    51    52  -0.09450 -1.0 2.0
   41    46    51    52   0.21250  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    51   3.69350  1.0 1.0
   42    41    46    51  -1.82950 -1.0 2.0
   44    41    46    47   0.15000  1.0 3.0
   44    41    46    48   0.15000  1.0 3.0
   44    41    46    51   0.56750  1.0 1.0
   44    41    46    51  -0.07550 -1.0 2.0
   44    41    46    51   0.20000  1.0 3.0
   46    41    44    45   0.00000  1.0 1.0
   47    46    51    52   0.19450  1.0 3.0
   48    46    51    52   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
