* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    122    200     362
    1     0 S   NP   _N1_     1    28.57405    95.34939   -23.23100
    2     1 S   H    _HN1     2     1.02779   103.62144   -87.92206
    3     1 S   H    _H1_     3     1.02958    80.69464    18.82996
    4     1 S   H    _H2_     4     1.02835    30.11061   169.81101
    5     1 S   CT   _CA1     5     1.50134   135.59166   128.52998
    6     5 S   HC   _HA1     6     1.09577   105.19951    79.86587
    7     5 S   CO3  _C1_     7     1.53769   112.39612   -40.28504
    8     7 S   O2Z  _O11     8     1.26361   114.99518   -43.26543
    9     7 S   O2Z  _O12     9     1.26237   114.91959   135.80054
   10     5 S   CT   _CB1    10     1.53084   107.41300  -162.25716
   11    10 S   HC   HB11    11     1.09829   109.26049   -50.70296
   12    10 S   HC   HB12    12     1.09816   110.44420    65.82710
   13    10 S   CT   _CG1    13     1.53025   112.71871  -171.79297
   14    13 S   HC   HG11    14     1.09592   110.48929   -65.41075
   15    13 S   HC   HG12    15     1.09660   109.92440    53.82306
   16    13 S   C    _CD1    16     1.51838   112.28088   174.12744
   17    16 S   O    _OE1    17     1.22730   123.23061     0.83369
   18    16 S   N    _N2_    18     1.38628   111.68941  -178.85261
   19    18 S   H    _HN2    19     1.01573   119.05930     1.07137
   20    18 S   CT1  _CA2    20     1.46199   123.43267   179.00064
   21    20 S   HC   _HA2    21     1.09739   109.37281     0.32385
   22    20 S   C    _C2_    22     1.53575   108.69575  -115.24163
   23    22 S   O    _O2_    23     1.23059   122.18431  -146.23398
   24    20 S   CT   _CB2    32     1.53423   111.62946   122.26206
   25    24 S   HC   HB21    33     1.09562   109.72206    56.18804
   26    24 S   HC   HB22    34     1.09367   109.65773   174.78053
   27    22 S   N    _N3_    24     1.38492   113.63634    41.24764
   28    27 S   H    _HN3    25     1.01476   119.01315    -0.44937
   29    24 S   S    _SG2    35     1.83428   111.39762   -64.66729
   30    27 S   CT   _CA3    26     1.45439   123.38784   175.18346
   31    30 S   HC   HA31    27     1.09525   109.24075    25.43393
   32    30 S   HC   HA32    28     1.09497   107.15047   142.41488
   33    29 S   CT   _C12    36     1.86099   101.28521  -173.20670
   34    33 S   OM   _O37    37     1.31542   110.66731   -57.36039
   35    30 S   CO3  _C3_    29     1.52901   112.98509   -98.03936
   36    35 S   O2Z  _O31    30     1.26409   115.31973   -47.53545
   37    35 S   O2Z  _O32    31     1.26345   115.04086   133.35547
   38    33 S   CM   _C11    38     1.51099   106.54483  -179.76845
   39    38 S   OS   _O34    39     1.39952   111.99559   -96.48879
   40    38 S   CM   _C10    57     1.34812   127.33180    84.65670
   41    40 S   HC   _H8_    58     1.08756   119.82689     0.57267
   42    39 S   CO4  _C14    40     1.36432   107.44163   -10.67833
   43    42 S   O    _O33    41     1.22481   123.30482   178.36482
   44    40 S   CA   _C9_    59     1.46912   125.34952   179.53480
   45    33 S   CT   _C13    42     1.54039   111.36101    71.07992
   46    45 S   HC   _H3_    43     1.09868   110.74336   -18.68518
   47    44 S   CA   _C4_    60     1.40192   118.93310  -131.52669
   48    47 S   HA   _H4_    61     1.08785   120.51840     1.69420
   49    45 S   CA   _C15    44     1.52422   119.05968  -144.02710
   50    47 S   CA   _C5_    62     1.39615   120.49334  -178.70941
   51    50 S   HA   _H5_    63     1.08618   119.84399  -179.54329
   52    49 S   CA   _C16    45     1.40501   119.18722   106.72057
   53    52 S   HA   _H9_    46     1.08726   119.83464     0.30455
   54    50 S   CA   _C6_    64     1.39138   119.62812     0.56648
   55    52 S   CA   _C17    47     1.39580   120.22838  -179.43042
   56    54 S   CA   _C7_    65     1.39244   120.73029     0.21489
   57    56 S   HA   _H6_    66     1.08595   121.02033   179.48948
   58    54 S   OH   _O38    69     1.36619   118.20229   179.97202
   59    58 S   HO   _H14    70     0.97239   108.55019   180.00000
   60    55 S   CA   _C18    48     1.39085   120.98555     0.14127
   61    60 S   HA   _H10    49     1.08565   120.12553   179.98022
   62    55 S   OH   _O36    55     1.36707   120.89833  -179.96044
   63    62 S   HO   _H13    56     0.97256   108.48697    -0.94709
   64    44 S   CA   _C8_    67     1.40240   121.94027    51.15516
   65    64 S   HA   _H7_    68     1.08762   120.66828    -0.95716
   66    60 S   CA   _C19    50     1.39178   118.88149     0.25944
   67    49 S   CA   _C20    51     1.40490   122.12966   -72.06874
   68    67 S   HA   _H11    52     1.08702   120.57173    -0.15451
   69    66 S   OH   _O35    53     1.36710   120.94372   179.70392
   70    69 S   HO   _H12    54     0.97226   108.51541    -0.44762
  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   9   5   4   3
  13   7   2   1   1  11   8  10   3   6   3   9   8   3   8   4
   9   7   3   9   4   6   7   5   3   2   1   8   4   2   1   1
   1   4   3   1   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    45    46    49    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    46    49    52    67    40    41    44  
   38    39    42    45    46    49    40  
   36    37  
   37  
    0  
   39    42    43    45    46    49    40    41    44    47    64  
   42    43    45    46    49    40    41    44  
   41    44    47    48    50    56    64    65    42    45  
   44    47    64  
   43    45    46    49    52    67  
   45    46    49  
   47    48    50    51    54    56    57    64    65  
   46    49    52    53    55    66    67    68  
   49    52    67  
   48    50    51    54    56    64    65    58  
   50    51    54    64  
   52    53    55    60    66    67    68    69    62  
   51    54    56    57    64    58    59  
   54    56    58  
   53    55    60    61    66    67    68    62    63  
   55    60    67    62  
   56    57    64    65    58    59  
   60    61    66    67    69    62    63  
   57    64    65    58    59  
   64    65    58  
   59    64  
    0  
   61    66    67    68    69    70    62    63  
   66    67    69    62  
   63    66  
    0  
   65  
    0  
   67    68    69    70  
   68    69    70  
   69  
   70  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   440.000  1.360
   38    40   549.000  1.340
   39    42   214.000  1.327
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    49   317.000  1.510
   49    52   469.000  1.400
   49    67   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    60   469.000  1.400
   55    62   450.000  1.364
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   469.000  1.400
   66    69   450.000  1.364
   67    68   367.000  1.080
   69    70   553.000  0.945
   62    63   553.000  0.945
   40    41   340.000  1.080
   40    44   320.000  1.460
   44    47   469.000  1.400
   44    64   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    56   469.000  1.400
   54    58   450.000  1.364
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    65   367.000  1.080
   58    59   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    45    42    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    49    70.00000  112.17500
   38    33    34    85.00000  110.90400
   38    39    42    90.00000  114.22900
   38    40    41    35.00000  120.00000
   38    40    44    60.00000  123.20500
   39    42    43    83.00000  123.40000
   39    42    45    81.00000  111.40000
   42    45    46    35.00000  109.50000
   42    45    49    70.00000  110.93000
   45    33    34    50.00000  109.50000
   45    33    38    70.00000  112.02700
   45    42    43    80.00000  120.40000
   45    49    52    70.00000  120.00000
   45    49    67    70.00000  120.00000
   49    45    46    35.00000  109.50000
   49    52    53    35.00000  120.00000
   49    52    55    63.00000  120.00000
   49    67    66    63.00000  120.00000
   49    67    68    35.00000  120.00000
   52    55    60    63.00000  120.00000
   52    55    62    70.00000  120.00000
   55    52    53    35.00000  120.00000
   55    60    61    35.00000  120.00000
   55    60    66    63.00000  120.00000
   55    62    63    35.00000  113.00000
   60    66    67    63.00000  120.00000
   60    66    69    70.00000  120.00000
   66    60    61    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    69    70    35.00000  113.00000
   67    49    52    63.00000  120.00000
   69    66    67    70.00000  120.00000
   62    55    60    70.00000  120.00000
   40    38    39    80.00000  120.01400
   40    44    47    60.00000  120.93500
   40    44    64    60.00000  120.93500
   44    40    41    40.00000  117.26300
   44    47    48    35.00000  120.00000
   44    47    50    63.00000  120.00000
   44    64    56    63.00000  120.00000
   44    64    65    35.00000  120.00000
   47    50    51    35.00000  120.00000
   47    50    54    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    54    56    63.00000  120.00000
   50    54    58    70.00000  120.00000
   54    50    51    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    64    63.00000  120.00000
   54    58    59    35.00000  113.00000
   56    64    65    35.00000  120.00000
   64    44    47    63.00000  120.00000
   64    56    57    35.00000  120.00000
   58    54    56    70.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    42   0.56750  1.0 1.0
   29    33    45    42  -0.07550 -1.0 2.0
   29    33    45    42   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    49   0.56750  1.0 1.0
   29    33    45    49  -0.07550 -1.0 2.0
   29    33    45    49   0.20000  1.0 3.0
   33    38   -39    42   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    45    49    52   0.04150 -1.0 2.0
   33    45    49    67   0.04150 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    45    42  -0.09450  1.0 1.0
   34    33    45    42  -1.12950 -1.0 2.0
   34    33    45    42   0.54000  1.0 3.0
   34    33    45    46   0.23400  1.0 3.0
   34    33    45    49  -0.64350  1.0 1.0
   34    33    45    49  -0.04200 -1.0 2.0
   34    33    45    49   0.19800  1.0 3.0
   38    33   -45    42  -0.98800  1.0 1.0
   38    33   -45    42   0.48800 -1.0 2.0
   38    33   -45    42   0.76800  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    49   0.21200  1.0 1.0
   38    33    45    49   0.16900 -1.0 2.0
   38    33    45    49  -1.15100  1.0 3.0
   38    39    42    43   3.00000 -1.0 2.0
   38    39   -42    45   0.82650  1.0 1.0
   38    39   -42    45   1.69000 -1.0 2.0
   38    40    44    47   0.15800  1.0 1.0
   38    40    44    47   1.85350 -1.0 2.0
   38    40    44    47  -0.48700  1.0 3.0
   38    40    44    64   0.15800  1.0 1.0
   38    40    44    64   1.85350 -1.0 2.0
   38    40    44    64  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42   -45    33   0.36750  1.0 3.0
   39    42    45    46   0.00000  1.0 1.0
   39    42    45    49   0.40000  1.0 3.0
   42    45    49    52   0.04300 -1.0 2.0
   42    45    49    67   0.04300 -1.0 2.0
   43    42    45    33   0.30150 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    49   0.30150 -1.0 2.0
   45    33   -38    39   0.09700  1.0 1.0
   45    33   -38    39   0.15600 -1.0 2.0
   45    33   -38    39  -0.50800  1.0 3.0
   45    33    38    40   0.09850  1.0 1.0
   45    33    38    40   0.15250 -1.0 2.0
   45    33    38    40  -0.50650  1.0 3.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49    52    55   3.62500 -1.0 2.0
   45    49    67    66   3.62500 -1.0 2.0
   45    49    67    68   3.62500 -1.0 2.0
   46    45    49    52   0.00000  1.0 1.0
   46    45    49    67   0.00000  1.0 1.0
   49    52    55    60   3.62500 -1.0 2.0
   49    52    55    62   3.62500 -1.0 2.0
   52    49    67    66   3.62500 -1.0 2.0
   52    49    67    68   3.62500 -1.0 2.0
   52    55    60    61   3.62500 -1.0 2.0
   52    55   -60    66   3.62500 -1.0 2.0
   52    55    62    63   0.84100 -1.0 2.0
   53    52    55    60   3.62500 -1.0 2.0
   53    52    55    62   3.62500 -1.0 2.0
   55    60    66    67   3.62500 -1.0 2.0
   55    60    66    69   3.62500 -1.0 2.0
   60    55    62    63   0.84100 -1.0 2.0
   60    66   -67    49   3.62500 -1.0 2.0
   60    66    67    68   3.62500 -1.0 2.0
   60    66    69    70   0.84100 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   61    60    66    69   3.62500 -1.0 2.0
   67    49    52    53   3.62500 -1.0 2.0
   67    49   -52    55   3.62500 -1.0 2.0
   67    66    69    70   0.84100 -1.0 2.0
   69    66    67    49   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   62    55    60    61   3.62500 -1.0 2.0
   62    55    60    66   3.62500 -1.0 2.0
   40    38    39    42  -1.93650  1.0 1.0
   40    38    39    42   2.17750 -1.0 2.0
   40    38    39    42  -0.40250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    50   3.62500 -1.0 2.0
   40    44    64    56   3.62500 -1.0 2.0
   40    44    64    65   3.62500 -1.0 2.0
   41    40    44    47   0.56550  1.0 3.0
   41    40    44    64   0.56550  1.0 3.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    54   3.62500 -1.0 2.0
   47    44    64    56   3.62500 -1.0 2.0
   47    44    64    65   3.62500 -1.0 2.0
   47    50   -54    56   3.62500 -1.0 2.0
   47    50    54    58   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    54   3.62500 -1.0 2.0
   50    54    56    57   3.62500 -1.0 2.0
   50    54    56    64   3.62500 -1.0 2.0
   50    54    58    59   0.84100 -1.0 2.0
   51    50    54    56   3.62500 -1.0 2.0
   51    50    54    58   3.62500 -1.0 2.0
   54    56   -64    44   3.62500 -1.0 2.0
   54    56    64    65   3.62500 -1.0 2.0
   56    54    58    59   0.84100 -1.0 2.0
   57    56    64    44   3.62500 -1.0 2.0
   57    56    64    65   3.62500 -1.0 2.0
   64    44    47    48   3.62500 -1.0 2.0
   64    44   -47    50   3.62500 -1.0 2.0
   58    54    56    57   3.62500 -1.0 2.0
   58    54    56    64   3.62500 -1.0 2.0
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
   33    39    38    40   1.10000 -1.0 2.0
   39    45    42    43  10.50000 -1.0 2.0
   52    67    49    45   4.00000 -1.0 2.0
   55    53    52    49   1.10000 -1.0 2.0
   60    62    55    52   4.00000 -1.0 2.0
   66    61    60    55   1.10000 -1.0 2.0
   67    69    66    60   4.00000 -1.0 2.0
   66    68    67    49   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   47    64    44    40   4.00000 -1.0 2.0
   50    48    47    44   1.10000 -1.0 2.0
   54    51    50    47   1.10000 -1.0 2.0
   56    58    54    50   4.00000 -1.0 2.0
   64    57    56    54   1.10000 -1.0 2.0
   56    65    64    44   1.10000 -1.0 2.0
END
