* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    141    218     411
    1     0 S   NP   _N1_     1    28.61187    95.89722   -22.96501
    2     1 S   H    _HN1     2     1.02786    98.97311   -84.44293
    3     1 S   H    _H1_     3     1.02950    75.82862    22.36216
    4     1 S   H    _H2_     4     1.02829    37.61599   167.82404
    5     1 S   CT   _CA1     5     1.50107   143.12606   127.59256
    6     5 S   HC   _HA1     6     1.09572   105.20059    84.15766
    7     5 S   CO3  _C1_     7     1.53795   112.48380   -36.09103
    8     7 S   O2Z  _O11     8     1.26371   115.00882   -42.19987
    9     7 S   O2Z  _O12     9     1.26242   114.94957   136.97707
   10     5 S   CT   _CB1    10     1.53083   107.42658  -157.84249
   11    10 S   HC   HB11    11     1.09831   109.39097   -49.67832
   12    10 S   HC   HB12    12     1.09813   110.43868    66.94053
   13    10 S   CT   _CG1    13     1.52980   112.59028  -170.65809
   14    13 S   HC   HG11    14     1.09584   110.61756   -65.30920
   15    13 S   HC   HG12    15     1.09670   109.79763    53.91573
   16    13 S   C    _CD1    16     1.51794   112.27100   174.38479
   17    16 S   O    _OE1    17     1.22723   123.30236     6.09641
   18    16 S   N    _N2_    18     1.38637   111.61549  -173.97565
   19    18 S   H    _HN2    19     1.01571   118.93294     1.97229
   20    18 S   CT1  _CA2    20     1.46254   123.47450   177.96298
   21    20 S   HC   _HA2    21     1.09734   109.40196     3.01980
   22    20 S   C    _C2_    22     1.53565   108.51679  -112.48099
   23    22 S   O    _O2_    23     1.23046   122.34920  -147.63385
   24    20 S   CT   _CB2    32     1.53417   111.38882   125.08388
   25    24 S   HC   HB21    33     1.09463   109.56983    56.69830
   26    24 S   HC   HB22    34     1.09492   109.90317   175.44362
   27    22 S   N    _N3_    24     1.38356   113.68509    39.79448
   28    27 S   H    _HN3    25     1.01578   119.57387    -3.22003
   29    24 S   S    _SG2    35     1.83371   110.98591   -65.37683
   30    27 S   CT   _CA3    26     1.45284   123.22116   177.18144
   31    30 S   HC   HA31    27     1.09548   107.49659   -65.00231
   32    30 S   HC   HA32    28     1.09556   108.00608    51.44429
   33    29 S   CT   _C13    36     1.88908   102.49352   162.95166
   34    30 S   CO3  _C3_    29     1.52962   114.06943   173.45030
   35    34 S   O2Z  _O31    30     1.26376   116.06400    -0.74309
   36    34 S   O2Z  _O32    31     1.26426   114.41482   179.32334
   37    33 S   CM   _C12    37     1.52684   107.73325   -70.72856
   38    37 S   HC   _H12    38     1.09101   115.53718    14.62289
   39    33 S   CM   _C15    67     1.52067   107.78770    49.67836
   40    39 S   HC   _H16    68     1.09145   115.29464   -73.55512
   41    33 S   CT   _C14    72     1.53915   102.84009   171.27280
   42    41 S   HC   _H13    73     1.09787   112.30984   -53.93510
   43    41 S   HC   _H14    74     1.09695   111.81861    66.65990
   44    41 S   HC   _H15    75     1.09283   111.75370  -172.98664
   45    37 S   CM   _C11    39     1.34670   131.18932  -166.88485
   46    45 S   HC   _H11    40     1.09046   114.55696  -177.68903
   47    39 S   CMA  _C16    69     1.34913   128.48572   107.54339
   48    47 S   OM   _O34    70     1.25928   131.03383   179.44047
   49    47 S   HC   _H17    71     1.08883   113.94613    -0.67377
   50    45 S   C3T  _C10    41     1.48696   132.12361     0.53741
   51    50 S   CT   _C9_    42     1.55187   116.87186   115.51363
   52    50 S   O3T  _O33    52     1.43335   121.51152   -31.96466
   53    51 S   CT   _C8_    43     1.55035   111.43825   169.04718
   54    53 S   HC   _H9_    44     1.09859   110.39166  -174.87367
   55    53 S   HC   _H10    45     1.09936   110.47437    69.67295
   56    51 S   CT   _C17    59     1.54800   110.61391    47.99598
   57    56 S   HC   _H18    60     1.09609   111.52707   -69.58161
   58    56 S   HC   _H19    61     1.09595   111.26750   171.16131
   59    56 S   HC   _H20    62     1.09503   111.80951    50.21945
   60    51 S   CT   _C18    63     1.54011   110.81123   -71.38391
   61    60 S   HC   _H21    64     1.09473   111.57651    59.67002
   62    60 S   HC   _H22    65     1.09475   111.26403   -60.90430
   63    60 S   HC   _H23    66     1.09623   111.12139   179.45356
   64    53 S   CT   _C7_    46     1.52473   112.67147   -52.33259
   65    64 S   HC   _H3_    47     1.09459   110.46519   -58.37311
   66    64 S   CT   _C6_    48     1.52230   111.37072    64.60264
   67    66 S   HC   _H7_    49     1.09859   110.03059    78.72523
   68    66 S   HC   _H8_    50     1.09786   108.11331  -167.22623
   69    64 S   OH   _O35    57     1.42669   108.21587  -175.39491
   70    69 S   HO   _H24    58     0.97249   107.53492  -179.50822
   71    50 S   C3T  _C5_    51     1.55639   116.56526   -98.18756
   72    71 S   CT   _C4_    53     1.50322   122.20882    14.04987
   73    72 S   HC   _H4_    54     1.09152   113.40400    22.31649
   74    72 S   HC   _H5_    55     1.09486   109.83714   -98.21416
   75    72 S   HC   _H6_    56     1.09537   110.31755   142.67673
  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  11   5   4   3
  14   2   1   1  14   5   9   4   5   2   1   1  10   4   2   1
   1  22  18  12  18   7   6   9   3   2   1   5   2   1   1   8
   6   9   4   3   2   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    71    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    53    66    71    52    72    56    60  
   50    51    71    52  
   48    49  
   49  
    0  
   51    53    54    55    64    66    67    68    71    52    72    73    74    75    56    57    58    59    60    61    62    63  
   53    54    55    64    65    66    71    52    72    69    56    57    58    59    60    61    62    63  
   72    73    74    75    56    60    53    64    66    67    68    71  
   54    55    64    65    66    67    68    71    69    70    56    57    58    59    60    61    62    63  
   55    64    65    66    69    56    60  
   64    65    66    69    56    60  
   57    58    59    60    61    62    63    64    71  
   58    59    60  
   59    60  
   60  
   61    62    63    64    71  
   62    63  
   63  
    0  
   65    66    67    68    71    72    69    70  
   66    67    68    71    69    70  
   67    68    71    72    73    74    75    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   305.000  1.480
   50    51   275.000  1.510
   50    71   260.000  1.509
   50    52   335.000  1.432
   51    53   268.000  1.529
   51    56   268.000  1.529
   51    60   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   275.000  1.510
   71    52   335.000  1.432
   71    72   275.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   69    70   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   335.000  1.111
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    55.00000  125.06700
   45    37    38    35.00000  120.00000
   45    50    51    65.00000  117.55000
   45    50    71    60.00000  120.58800
   45    50    52    85.00000  114.23300
   50    45    46    40.00000  117.24000
   50    51    53    70.00000  112.37300
   50    51    56    70.00000  112.37300
   50    51    60    70.00000  112.37300
   50    71    66    60.00000  120.94000
   50    71    52    15.00000   60.43100
   50    71    72    60.00000  120.94000
   50    52    71    15.00000   59.14900
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    64    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   53    64    65    37.50000  110.70000
   53    64    66    58.35000  112.70000
   53    64    69    50.00000  109.50000
   55    53    54    33.00000  107.80000
   64    53    54    37.50000  110.70000
   64    53    55    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    71    70.00000  112.37300
   64    69    70    55.00000  108.50000
   66    64    65    37.50000  110.70000
   66    71    52    80.00000  116.47100
   66    71    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    50    51    60.00000  120.94000
   71    66    67    45.00000  109.38400
   71    66    68    45.00000  109.38400
   71    72    73    45.00000  109.38400
   71    72    74    45.00000  109.38400
   71    72    75    45.00000  109.38400
   52    50    51    80.00000  116.47100
   52    50    71    15.00000   60.43100
   72    71    52    80.00000  116.47100
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    50.00000  109.50000
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    51    53    58.35000  112.70000
   60    51    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    45.00000  105.30000
   47    39    40    40.00000  120.50800
   49    47    48    50.00000  124.16400
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51   0.09850  1.0 1.0
   37    45    50    51   0.15250 -1.0 2.0
   37    45    50    51  -0.50650  1.0 3.0
   37    45    50    71   0.09850  1.0 1.0
   37    45    50    71   0.15250 -1.0 2.0
   37    45    50    71  -0.50650  1.0 3.0
   37    45    50    52   0.39000  1.0 1.0
   37    45    50    52  -0.05800 -1.0 2.0
   37    45    50    52  -0.55150  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    51    53   0.34400  1.0 1.0
   45    50    51    53   0.09450 -1.0 2.0
   45    50    51    53   0.11100  1.0 3.0
   45    50    51    56   0.34400  1.0 1.0
   45    50    51    56   0.09450 -1.0 2.0
   45    50    51    56   0.11100  1.0 3.0
   45    50    51    60   0.34400  1.0 1.0
   45    50    51    60   0.09450 -1.0 2.0
   45    50    51    60   0.11100  1.0 3.0
   45    50    71    66   0.34400  1.0 1.0
   45    50    71    66   0.09450 -1.0 2.0
   45    50    71    66   0.11100  1.0 3.0
   45    50   -71    52   0.61850  1.0 1.0
   45    50   -71    52  -0.22750 -1.0 2.0
   45    50   -71    52   0.15300  1.0 3.0
   45    50    71    72   0.34400  1.0 1.0
   45    50    71    72   0.09450 -1.0 2.0
   45    50    71    72   0.11100  1.0 3.0
   45    50   -52    71  -0.77900  1.0 1.0
   45    50   -52    71  -0.36900 -1.0 2.0
   45    50   -52    71   0.40400  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    71   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   50    51    53    54   0.15000  1.0 3.0
   50    51    53    55   0.15000  1.0 3.0
   50    51    53    64   0.47050  1.0 1.0
   50    51    53    64   0.03900 -1.0 2.0
   50    51    53    64   0.20100  1.0 3.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    59   0.15000  1.0 3.0
   50    51    60    61   0.15000  1.0 3.0
   50    51    60    62   0.15000  1.0 3.0
   50    51    60    63   0.15000  1.0 3.0
   50    71    72    73   0.15000  1.0 3.0
   50    71    72    74   0.15000  1.0 3.0
   50    71    72    75   0.15000  1.0 3.0
   51    50    71    66   0.56750  1.0 1.0
   51    50    71    66  -0.07550 -1.0 2.0
   51    50    71    66   0.20000  1.0 3.0
   51    50   -71    52   0.02550  1.0 1.0
   51    50   -71    52  -0.02600 -1.0 2.0
   51    50   -71    52   1.20400  1.0 3.0
   51    50    71    72   0.56750  1.0 1.0
   51    50    71    72  -0.07550 -1.0 2.0
   51    50    71    72   0.20000  1.0 3.0
   51    50   -52    71   0.06250  1.0 1.0
   51    50   -52    71  -0.01100 -1.0 2.0
   51    50   -52    71   0.28050  1.0 3.0
   51    53    64    65   0.15000  1.0 3.0
   51    53   -64    66   0.56750  1.0 1.0
   51    53   -64    66  -0.07550 -1.0 2.0
   51    53   -64    66   0.20000  1.0 3.0
   51    53    64    69   0.86500  1.0 1.0
   51    53    64    69  -0.17500 -1.0 2.0
   51    53    64    69   0.20800  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    63   0.15000  1.0 3.0
   53    64    66    67   0.15000  1.0 3.0
   53    64    66    68   0.15000  1.0 3.0
   53    64    66    71   0.47050  1.0 1.0
   53    64    66    71   0.03900 -1.0 2.0
   53    64    66    71   0.20100  1.0 3.0
   53    64    69    70  -0.11600  1.0 1.0
   53    64    69    70  -0.09450 -1.0 2.0
   53    64    69    70   0.21250  1.0 3.0
   54    53    64    65   0.15000  1.0 3.0
   54    53    64    66   0.15000  1.0 3.0
   54    53    64    69   0.23400  1.0 3.0
   55    53    64    65   0.15000  1.0 3.0
   55    53    64    66   0.15000  1.0 3.0
   55    53    64    69   0.23400  1.0 3.0
   64    66   -71    50   0.07850  1.0 1.0
   64    66   -71    50  -0.03950 -1.0 2.0
   64    66   -71    50   0.67350  1.0 3.0
   64    66    71    52   0.02550  1.0 1.0
   64    66    71    52  -0.02600 -1.0 2.0
   64    66    71    52   1.20400  1.0 3.0
   64    66    71    72   0.56750  1.0 1.0
   64    66    71    72  -0.07550 -1.0 2.0
   64    66    71    72   0.20000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.15000  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70  -0.11600  1.0 1.0
   66    64    69    70  -0.09450 -1.0 2.0
   66    64    69    70   0.21250  1.0 3.0
   66    71   -52    50   0.06250  1.0 1.0
   66    71   -52    50  -0.01100 -1.0 2.0
   66    71   -52    50   0.28050  1.0 3.0
   66    71    72    73   0.15000  1.0 3.0
   66    71    72    74   0.15000  1.0 3.0
   66    71    72    75   0.15000  1.0 3.0
   67    66    71    50   0.15000  1.0 3.0
   67    66    71    52   0.23400  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   68    66    71    50   0.15000  1.0 3.0
   68    66    71    52   0.23400  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   71    50   -51    53   0.07850  1.0 1.0
   71    50   -51    53  -0.03950 -1.0 2.0
   71    50   -51    53   0.67350  1.0 3.0
   71    50    51    56   0.07850  1.0 1.0
   71    50    51    56  -0.03950 -1.0 2.0
   71    50    51    56   0.67350  1.0 3.0
   71    50    51    60   0.07850  1.0 1.0
   71    50    51    60  -0.03950 -1.0 2.0
   71    50    51    60   0.67350  1.0 3.0
   52    50    51    53   0.02550  1.0 1.0
   52    50    51    53  -0.02600 -1.0 2.0
   52    50    51    53   1.20400  1.0 3.0
   52    50    51    56   0.02550  1.0 1.0
   52    50    51    56  -0.02600 -1.0 2.0
   52    50    51    56   1.20400  1.0 3.0
   52    50    51    60   0.02550  1.0 1.0
   52    50    51    60  -0.02600 -1.0 2.0
   52    50    51    60   1.20400  1.0 3.0
   52    50   -71    66   0.02550  1.0 1.0
   52    50   -71    66  -0.02600 -1.0 2.0
   52    50   -71    66   1.20400  1.0 3.0
   52    50   -71    72   0.02550  1.0 1.0
   52    50   -71    72  -0.02600 -1.0 2.0
   52    50   -71    72   1.20400  1.0 3.0
   52    71    72    73   0.23400  1.0 3.0
   52    71    72    74   0.23400  1.0 3.0
   52    71    72    75   0.23400  1.0 3.0
   72    71   -52    50   0.06250  1.0 1.0
   72    71   -52    50  -0.01100 -1.0 2.0
   72    71   -52    50   0.28050  1.0 3.0
   69    64    66    67   0.23400  1.0 3.0
   69    64    66    68   0.23400  1.0 3.0
   69    64    66    71   0.86500  1.0 1.0
   69    64    66    71  -0.17500 -1.0 2.0
   69    64    66    71   0.20800  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    64   0.56750  1.0 1.0
   56    51    53    64  -0.07550 -1.0 2.0
   56    51    53    64   0.20000  1.0 3.0
   56    51    60    61   0.15000  1.0 3.0
   56    51    60    62   0.15000  1.0 3.0
   56    51    60    63   0.15000  1.0 3.0
   60    51    53    54   0.15000  1.0 3.0
   60    51    53    55   0.15000  1.0 3.0
   60    51    53    64   0.56750  1.0 1.0
   60    51    53    64  -0.07550 -1.0 2.0
   60    51    53    64   0.20000  1.0 3.0
   60    51    56    57   0.15000  1.0 3.0
   60    51    56    58   0.15000  1.0 3.0
   60    51    56    59   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
