* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    140    206     400
    1     0 S   NP   _N1_     1    29.11844    96.27923   -19.31674
    2     1 S   H    _HN1     2     1.02771    78.76410   -54.91774
    3     1 S   H    _H1_     3     1.02959    92.50220    53.34146
    4     1 S   H    _H2_     4     1.02830    39.29540   167.43152
    5     1 S   CT   _CA1     5     1.50215   148.39223  -169.48242
    6     5 S   HC   _HA1     6     1.09588   105.07008    43.63974
    7     5 S   CO3  _C1_     7     1.53805   112.45486   -76.04259
    8     7 S   O2Z  _O11     8     1.26356   115.03795   -38.28572
    9     7 S   O2Z  _O12     9     1.26263   114.91815   140.47992
   10     5 S   CT   _CB1    10     1.53111   107.31578   161.25261
   11    10 S   HC   HB11    11     1.09808   108.99752   -50.85030
   12    10 S   HC   HB12    12     1.09792   110.47587    65.50663
   13    10 S   CT   _CG1    13     1.52992   112.86911  -172.10887
   14    13 S   HC   HG11    14     1.09472   110.39067   -66.01497
   15    13 S   HC   HG12    15     1.09668   110.03391    52.74259
   16    13 S   C    _CD1    16     1.51954   112.43217   172.20016
   17    16 S   O    _OE1    17     1.22743   123.11240   -16.20706
   18    16 S   N    _N2_    18     1.38550   111.78882   166.15034
   19    18 S   H    _HN2    19     1.01599   118.95307    -3.42285
   20    18 S   CT1  _CA2    20     1.46250   123.67085   174.53284
   21    20 S   HC   _HA2    21     1.09744   109.28509   -14.46901
   22    20 S   C    _C2_    22     1.53653   107.84025  -129.51507
   23    22 S   O    _O2_    23     1.23014   122.40038  -147.37451
   24    20 S   CT   _CB2    32     1.53419   111.85664   108.26343
   25    24 S   HC   HB21    33     1.09409   109.61961    49.29902
   26    24 S   HC   HB22    34     1.09426   109.95722   168.15523
   27    22 S   N    _N3_    24     1.38568   113.38405    40.19310
   28    27 S   H    _HN3    25     1.01517   118.87797    -0.65492
   29    24 S   S    _SG2    35     1.83084   111.81589   -73.15403
   30    27 S   CT   _CA3    26     1.45428   123.46753   175.16523
   31    30 S   HC   HA31    27     1.09523   109.24536    24.42153
   32    30 S   HC   HA32    28     1.09495   107.12287   141.42640
   33    29 S   CT   _C18    36     1.87753   101.29230   162.81199
   34    30 S   CO3  _C3_    29     1.52911   113.09715   -99.06245
   35    34 S   O2Z  _O31    30     1.26403   115.40780   -44.42171
   36    34 S   O2Z  _O32    31     1.26353   114.97906   136.51692
   37    33 S   CM   _C6_    37     1.56897   108.36920   -69.45816
   38    33 S   CT   _C16    67     1.54587   106.50631    59.28195
   39    38 S   HC   _H35    68     1.09787   111.48109    53.15551
   40    38 S   HC   _H36    69     1.09671   111.06199   171.03218
   41    38 S   HC   _H37    70     1.09421   113.25824   -67.44888
   42    33 S   CT   _C17    71     1.54764   107.20643   171.82713
   43    42 S   HC   _H38    72     1.09732   111.53681   -64.25472
   44    42 S   HC   _H39    73     1.09701   110.38942   176.86568
   45    42 S   HC   _H40    74     1.09436   113.79191    56.43017
   46    37 S   CMA  _C7_    38     1.37298   124.50402   123.91373
   47    46 S   OM   _O16    39     1.26536   129.78531     5.35738
   48    37 S   CT   _C10    55     1.53997   113.68442   -59.32281
   49    48 S   HC   _H24    56     1.09661   106.37121  -111.99230
   50    48 S   HC   _H25    57     1.09365   111.25426     0.83977
   51    46 S   CT   _C9_    40     1.55869   121.83642  -176.98929
   52    51 S   HC   _H22    41     1.09342   109.82947   -32.22572
   53    51 S   HC   _H23    42     1.10238   110.17770  -144.94417
   54    51 S   CM   _C5_    43     1.53546   114.94816    93.94887
   55    54 S   CM   _C4_    44     1.35025   125.18165  -132.85830
   56    55 S   HC   _H19    45     1.09017   117.77506   179.07931
   57    54 S   CT   _C14    63     1.51161   116.96515    48.99083
   58    57 S   HC   _H29    64     1.09419   110.94388   -69.38490
   59    57 S   HC   _H30    65     1.09585   112.35553   170.98892
   60    57 S   HC   _H31    66     1.09488   110.40602    52.00778
   61    55 S   CT   _C8_    46     1.50348   129.22410    -2.88140
   62    61 S   HC   _H20    47     1.09772   106.86822  -143.49147
   63    61 S   HC   _H21    48     1.09496   111.06746   -28.83968
   64    61 S   CT   _C11    49     1.53494   112.85256    97.48549
   65    64 S   HC   _H26    50     1.09708   110.52895    38.79536
   66    64 S   HC   _H27    51     1.09673   109.12359   155.38808
   67    64 S   C3T  _C13    52     1.50161   110.63513   -84.76251
   68    67 S   C3T  _C12    53     1.52069   116.07931    79.21360
   69    68 S   HC   _H28    54     1.08095   121.42073     6.12157
   70    67 S   CT   _C15    59     1.50169   116.75135   -78.45990
   71    70 S   HC   _H32    60     1.09532   112.14252  -163.96981
   72    70 S   HC   _H33    61     1.09403   110.75698    75.21332
   73    70 S   HC   _H34    62     1.09507   110.54061   -44.63267
   74    67 S   O3T  _O17    58     1.43187   117.13179   144.98289
  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  12   5   4   3
  16   2   1   1  21   9   3   2   1   5   2   1   1  11   5   9
   5   4  10   4   3  10  12   5   4   2   1   1   9   5   4  10
   5   4   7   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    46    48    38    39    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    46    47    51    68    48    49    50    38    39    40    41    42    43    44    45  
   35    36  
   36  
    0  
   46    47    51    52    53    54    67    68    69    48    49    50    74    38    39    40    41    42    43    44    45  
   39    40    41    42    43    44    45    46    48  
   40    41    42  
   41    42  
   42  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    51    52    53    54    55    68    48    49    50    57  
   51    52    53    54    48  
   49    50    74    70    51    64    67    68    69  
   50    74    67    68    69  
   74    67    68    69  
   52    53    54    55    56    61    57    58    59    60  
   53    54    55    57  
   54    55    57  
   55    56    61    62    63    64    57    58    59    60  
   56    61    62    63    64    65    66    67    57    58    59    60  
   61    62    63    64    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    74    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    74    70    71    72    73  
   66    67    68    74    70  
   67    68    74    70  
   68    69    74    70    71    72    73  
   69    74    70    71    72    73  
   74    70  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   268.000  1.529
   33    42   268.000  1.529
   37    46   465.000  1.376
   37    48   317.000  1.510
   46    47   745.000  1.250
   46    51   270.000  1.512
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   549.000  1.340
   54    57   317.000  1.510
   55    56   340.000  1.080
   55    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   275.000  1.510
   67    68   260.000  1.509
   67    74   335.000  1.432
   67    70   275.000  1.510
   68    69   340.000  1.088
   68    48   275.000  1.510
   68    74   335.000  1.432
   48    49   340.000  1.090
   48    50   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    46    70.00000  124.00000
   33    37    48    65.00000  117.92700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    65.00000  137.10300
   37    46    51    65.00000  122.18000
   37    48    68    70.00000  112.02700
   37    48    49    35.00000  109.50000
   37    48    50    35.00000  109.50000
   46    51    52    45.00000  110.52000
   46    51    53    45.00000  110.52000
   46    51    54    70.00000  110.12100
   51    46    47    85.00000  112.85300
   51    54    55    70.00000  124.00000
   51    54    57    65.00000  117.92700
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    61    70.00000  124.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   55    61    64    70.00000  112.02700
   61    55    56    35.00000  117.00000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    70.00000  112.37300
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    60.00000  120.94000
   64    67    74    80.00000  116.47100
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    45.00000  109.38400
   67    64    66    45.00000  109.38400
   67    68    69    37.50000  117.20000
   67    68    48    60.00000  120.94000
   67    68    74    15.00000   60.43100
   67    74    68    15.00000   59.14900
   67    70    71    45.00000  109.38400
   67    70    72    45.00000  109.38400
   67    70    73    45.00000  109.38400
   68    48    49    45.00000  109.38400
   68    48    50    45.00000  109.38400
   48    37    46    70.00000  124.00000
   48    68    69    40.00000  115.04500
   50    48    49    33.00000  107.80000
   74    67    68    15.00000   60.43100
   74    68    69    50.00000  114.27700
   74    68    48    80.00000  116.47100
   70    67    68    60.00000  120.94000
   70    67    74    80.00000  116.47100
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    54    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   38    33    37    70.00000  112.02700
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    70.00000  112.02700
   42    33    38    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    37    48   0.30250  1.0 1.0
   29    33    37    48  -0.14950 -1.0 2.0
   29    33    37    48   0.36900  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    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    37    48    68   0.46850  1.0 1.0
   33    37    48    68   0.08550 -1.0 2.0
   33    37    48    68   0.09800  1.0 3.0
   33    37    48    49   0.34800  1.0 3.0
   33    37    48    50   0.34800  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.00000  1.0 1.0
   37    46    51    53   0.00000  1.0 1.0
   37    46    51    54  -0.28300  1.0 1.0
   37    46    51    54   0.26700 -1.0 2.0
   37    46    51    54  -0.63300  1.0 3.0
   46    37    48    68   0.09850  1.0 1.0
   46    37    48    68   0.15250 -1.0 2.0
   46    37    48    68  -0.50650  1.0 3.0
   46    37    48    49   0.00000  1.0 1.0
   46    37    48    50   0.00000  1.0 1.0
   46    51    54    55  -0.28300  1.0 1.0
   46    51    54    55   0.26700 -1.0 2.0
   46    51    54    55  -0.63300  1.0 3.0
   46    51    54    57   0.09700  1.0 1.0
   46    51    54    57   0.15600 -1.0 2.0
   46    51    54    57  -0.50800  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   47    46    51    54   0.09700  1.0 1.0
   47    46    51    54   0.15600 -1.0 2.0
   47    46    51    54  -0.50800  1.0 3.0
   51    54    55    56   7.00000 -1.0 2.0
   51    54    55    61   7.00000 -1.0 2.0
   51    54    57    58   0.34800  1.0 3.0
   51    54    57    59   0.34800  1.0 3.0
   51    54    57    60   0.34800  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    57   0.34800  1.0 3.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    57   0.34800  1.0 3.0
   54    55    61    62   0.00000  1.0 1.0
   54    55    61    63   0.00000  1.0 1.0
   54    55    61    64   0.09850  1.0 1.0
   54    55    61    64   0.15250 -1.0 2.0
   54    55    61    64  -0.50650  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    60   0.00000  1.0 1.0
   55    61    64    65   0.15000  1.0 3.0
   55    61    64    66   0.15000  1.0 3.0
   55    61    64    67   0.34400  1.0 1.0
   55    61    64    67   0.09450 -1.0 2.0
   55    61    64    67   0.11100  1.0 3.0
   56    55    61    62   0.33100  1.0 3.0
   56    55    61    63   0.33100  1.0 3.0
   56    55    61    64   0.00000  1.0 1.0
   61    64    67    68   0.07850  1.0 1.0
   61    64    67    68  -0.03950 -1.0 2.0
   61    64    67    68   0.67350  1.0 3.0
   61    64    67    74   0.02550  1.0 1.0
   61    64    67    74  -0.02600 -1.0 2.0
   61    64    67    74   1.20400  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    68    69   0.15000  1.0 3.0
   64    67    68    48   0.56750  1.0 1.0
   64    67    68    48  -0.07550 -1.0 2.0
   64    67    68    48   0.20000  1.0 3.0
   64    67   -68    74   0.02550  1.0 1.0
   64    67   -68    74  -0.02600 -1.0 2.0
   64    67   -68    74   1.20400  1.0 3.0
   64    67   -74    68   0.06250  1.0 1.0
   64    67   -74    68  -0.01100 -1.0 2.0
   64    67   -74    68   0.28050  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    74   0.23400  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    74   0.23400  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    68    48    37   0.34400  1.0 1.0
   67    68    48    37   0.09450 -1.0 2.0
   67    68    48    37   0.11100  1.0 3.0
   67    68    48    49   0.15000  1.0 3.0
   67    68    48    50   0.15000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    68    48    37   0.15000  1.0 3.0
   69    68    48    49   0.15000  1.0 3.0
   69    68    48    50   0.15000  1.0 3.0
   69    68   -74    67   0.36800  1.0 3.0
   48    37    46    47   7.00000 -1.0 2.0
   48    37    46    51   7.00000 -1.0 2.0
   48    68   -74    67   0.06250  1.0 1.0
   48    68   -74    67  -0.01100 -1.0 2.0
   48    68   -74    67   0.28050  1.0 3.0
   74    67   -68    69   0.23400  1.0 3.0
   74    67   -68    48   0.02550  1.0 1.0
   74    67   -68    48  -0.02600 -1.0 2.0
   74    67   -68    48   1.20400  1.0 3.0
   74    67    70    71   0.23400  1.0 3.0
   74    67    70    72   0.23400  1.0 3.0
   74    67    70    73   0.23400  1.0 3.0
   74    68    48    37   0.61850  1.0 1.0
   74    68    48    37  -0.22750 -1.0 2.0
   74    68    48    37   0.15300  1.0 3.0
   74    68    48    49   0.23400  1.0 3.0
   74    68    48    50   0.23400  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    48   0.56750  1.0 1.0
   70    67    68    48  -0.07550 -1.0 2.0
   70    67    68    48   0.20000  1.0 3.0
   70    67   -68    74   0.02550  1.0 1.0
   70    67   -68    74  -0.02600 -1.0 2.0
   70    67   -68    74   1.20400  1.0 3.0
   70    67   -74    68   0.06250  1.0 1.0
   70    67   -74    68  -0.01100 -1.0 2.0
   70    67   -74    68   0.28050  1.0 3.0
   57    54    55    56   7.00000 -1.0 2.0
   57    54    55    61   7.00000 -1.0 2.0
   38    33    37    46   0.09850  1.0 1.0
   38    33    37    46   0.15250 -1.0 2.0
   38    33    37    46  -0.50650  1.0 3.0
   38    33    37    48   0.46850  1.0 1.0
   38    33    37    48   0.08550 -1.0 2.0
   38    33    37    48   0.09800  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44   0.15000  1.0 3.0
   38    33    42    45   0.15000  1.0 3.0
   42    33    37    46   0.09850  1.0 1.0
   42    33    37    46   0.15250 -1.0 2.0
   42    33    37    46  -0.50650  1.0 3.0
   42    33    37    48   0.46850  1.0 1.0
   42    33    37    48   0.08550 -1.0 2.0
   42    33    37    48   0.09800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    48    37    46   1.10000 -1.0 2.0
   51    47    46    37   1.10000 -1.0 2.0
   51    57    54    55   1.10000 -1.0 2.0
   61    56    55    54   1.10000 -1.0 2.0
END
