* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    218     388
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02099   104.39502     6.03605
    3     1 S   H    _H1_     3     1.02110    44.38603   108.22827
    4     1 S   H    _H2_     4     1.02165    68.65652   -98.70558
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C21    36     1.82855    98.13474   161.74467
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C20    37     1.51813   107.58320   -59.96986
   38    37 S   O    _O35    38     1.22830   122.46398    94.71440
   39    33 S   OH   _O37    72     1.42202   110.23202    57.35951
   40    39 S   HO   _H8_    73     0.97076   106.69826   -57.18497
   41    37 S   CM   _C19    39     1.48409   117.54941   -83.65040
   42    41 S   CM   _C18    40     1.39825   120.85932   -13.36943
   43    42 S   CO4  _C17    41     1.40020   119.85436   178.17469
   44    43 S   O    _O38    42     1.28434   123.85337   179.94766
   45    42 S   CO4  _C23    67     1.48070   120.90596    -3.13044
   46    45 S   O    _O36    68     1.22728   120.75220   175.08626
   47    43 S   CM   _C16    43     1.39517   119.98312     0.44146
   48    47 S   HC   _H5_    44     1.09077   121.32499   179.89532
   49    33 S   CT   _C22    69     1.52101   111.85603   177.48916
   50    49 S   HC   _H6_    70     1.09767   110.48481   -52.16590
   51    49 S   HC   _H7_    71     1.09831   110.32242  -168.92659
   52    47 S   CM   _C15    45     1.39325   120.14981     0.05234
   53    41 S   CM   _C14    46     1.39946   119.20276   165.51747
   54    52 S   OH   _O39    65     1.36487   118.21657   179.98022
   55    54 S   HO   _H9_    66     0.96897   110.06599     0.04423
   56    53 S   CM   _C12    47     1.46365   123.90182    -0.00000
   57    56 S   CO4  _C13    48     1.49381   117.56889   -90.02439
   58    57 S   O    _O34    49     1.22613   119.91720    -0.05935
   59    57 S   CA   _C8_    50     1.46543   118.33269   179.90309
   60    59 S   CA   _C9_    51     1.38888   120.06362     0.10653
   61    60 S   CA   _C4_    52     1.40238   119.52984   179.97202
   62    61 S   HA   _H3_    53     1.09033   119.86091  -180.00000
   63    60 S   CO4  _C10    61     1.47461   120.80469    -0.09891
   64    63 S   O    _O33    62     1.23095   118.40924   179.93147
   65    61 S   CA   _C5_    54     1.39453   120.27613    -0.07402
   66    65 S   OM   _O42    55     1.28199   120.01743   179.96574
   67    56 S   CO4  _C11    63     1.35818   118.71559    89.95395
   68    67 S   O    _O40    64     1.26550   129.65256     0.01978
   69    65 S   CA   _C6_    56     1.39174   120.01934     0.02798
   70    69 S   HA   _H4_    57     1.08980   121.06220   179.91607
   71    59 S   CA   _C7_    58     1.40065   119.71168  -180.00000
   72    71 S   OH   _O41    59     1.36325   122.86094     0.09065
   73    72 S   HO   _H10    60     0.97035   110.08351    -0.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  12   2   1   1  13   5   6   1  13  12   9   4   6   3   6   3
   2   1   1   6   9   2   1   9  10   4  12  11   9   4   5   2
   5   3   1   1   4   2   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    45    49    50    51    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    53    45    46    49    50    51    39    40  
   35    36  
   36  
    0  
   38    41    42    43    52    53    56    45    49    50    51    39    40  
   41    42    53    49    39  
   40    41    45    49    50    51  
   49  
   42    43    44    47    52    53    56    57    67    54    45    46    49  
   43    44    47    48    52    53    56    45    46    49    50    51  
   44    47    48    52    53    54    45    46    49  
   47    48    52    45  
   46    49    50    51    47    53  
   49    50    51  
   48    52    53    56    54    55  
   52    53    54  
   50    51  
   51  
    0  
   53    56    57    67    54    55  
   56    57    58    59    63    67    68    54    55  
   55    56  
    0  
   57    58    59    60    71    63    64    67    68  
   58    59    60    61    69    71    72    63    67    68  
   59    60    71    67  
   60    61    62    65    69    70    71    72    73    63    64    67  
   61    62    65    66    69    71    72    63    64    67    68  
   62    65    66    69    70    71    63    64    67  
   65    66    69    63  
   64    67    68    65    71  
   67    68  
   66    69    70    71    72  
   69    70    71  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73  
   73  
    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   0.432500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    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  1.522
   33    49   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    42   549.000  1.340
   41    53   380.000  1.444
   42    43   320.000  1.462
   42    45   320.000  1.462
   43    44   570.000  1.229
   43    47   320.000  1.462
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    53   380.000  1.444
   52    54   510.000  1.338
   53    56   549.000  1.340
   56    57   320.000  1.462
   56    67   320.000  1.462
   57    58   570.000  1.229
   57    59   310.000  1.470
   59    60   469.000  1.400
   59    71   469.000  1.400
   60    61   469.000  1.400
   60    63   310.000  1.470
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   450.000  1.364
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   63    64   570.000  1.229
   63    67   250.000  1.523
   67    68   570.000  1.229
   54    55   553.000  0.945
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   39    40   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    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  110.18000
   29    33    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    49    45    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    51    37.50000  110.70000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  118.96000
   37    41    53    65.00000  118.96000
   41    37    38    80.00000  123.72100
   41    42    43    65.00000  118.96000
   41    42    45    65.00000  118.96000
   41    53    52    70.00000  123.01800
   41    53    56    70.00000  123.01800
   42    43    44    80.00000  123.72100
   42    43    47    65.00000  118.65900
   42    45    46    80.00000  123.72100
   42    45    49    65.00000  118.62400
   43    47    48    40.00000  117.72500
   43    47    52    65.00000  118.96000
   47    43    44    80.00000  123.72100
   47    52    53    70.00000  123.01800
   47    52    54    80.00000  121.38400
   52    47    48    35.00000  120.00000
   52    53    56    70.00000  123.01800
   52    54    55    70.00000  107.45700
   53    41    42    70.00000  123.01800
   53    56    57    65.00000  118.96000
   53    56    67    65.00000  118.96000
   56    57    58    80.00000  123.72100
   56    57    59    65.00000  117.02400
   56    67    63    65.00000  116.00000
   56    67    68    80.00000  123.72100
   57    59    60    60.00000  119.52600
   57    59    71    60.00000  119.52600
   59    57    58    75.00000  123.78400
   59    60    61    63.00000  120.00000
   59    60    63    60.00000  119.52600
   59    71    69    63.00000  120.00000
   59    71    72    70.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    75.00000  123.78400
   60    63    67    60.00000  117.28700
   61    65    66    70.00000  120.00000
   61    65    69    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    71    63.00000  120.00000
   69    65    66    70.00000  120.00000
   69    71    72    70.00000  120.00000
   71    59    60    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   63    60    61    60.00000  119.52600
   63    67    68    80.00000  119.30300
   67    56    57    65.00000  115.30000
   67    63    64    80.00000  119.30300
   54    52    53    80.00000  121.38400
   45    42    43    65.00000  115.30000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   49    33    37    63.00000  111.10000
   49    45    46    80.00000  120.40000
   51    49    50    33.00000  107.80000
   39    33    37    90.00000  109.61100
   39    33    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    49    45   0.56750  1.0 1.0
   29    33    49    45  -0.07550 -1.0 2.0
   29    33    49    45   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42  -0.33500  1.0 1.0
   33    37    41    42   1.06600 -1.0 2.0
   33    37    41    42  -0.14000  1.0 3.0
   33    37    41    53  -0.33500  1.0 1.0
   33    37    41    53   1.06600 -1.0 2.0
   33    37    41    53  -0.14000  1.0 3.0
   37    33    49    45   0.11950  1.0 1.0
   37    33    49    45   0.20300 -1.0 2.0
   37    33    49    45  -0.70800  1.0 3.0
   37    33    49    50  -0.11250  1.0 3.0
   37    33    49    51  -0.11250  1.0 3.0
   37    33    39    40   0.91850  1.0 1.0
   37    33    39    40   0.57950  1.0 3.0
   37    41    42    43   7.00000 -1.0 2.0
   37    41   -42    45   7.00000 -1.0 2.0
   37    41    53    52  -0.18600  1.0 3.0
   37    41    53    56  -0.18600  1.0 3.0
   38    37    41    42   1.00000 -1.0 2.0
   38    37    41    53   1.00000 -1.0 2.0
   41    42    43    44   1.00000 -1.0 2.0
   41    42    43    47  -1.18350  1.0 1.0
   41    42    43    47   1.45950 -1.0 2.0
   41    42    45    46   1.00000 -1.0 2.0
   41    42    45    49  -0.33500  1.0 1.0
   41    42    45    49   1.06600 -1.0 2.0
   41    42    45    49  -0.14000  1.0 3.0
   41    53    56    57   7.00000 -1.0 2.0
   41    53    56    67   7.00000 -1.0 2.0
   42    41    53    52   0.28850  1.0 1.0
   42    41    53    52   2.61350 -1.0 2.0
   42    41    53    52   0.78400  1.0 3.0
   42    41    53    56   0.28850  1.0 1.0
   42    41    53    56   2.61350 -1.0 2.0
   42    41    53    56   0.78400  1.0 3.0
   42    43    47    48   0.93700 -1.0 2.0
   42    43   -47    52  -1.18350  1.0 1.0
   42    43   -47    52   1.45950 -1.0 2.0
   42    45   -49    33   0.65300  1.0 1.0
   42    45   -49    33  -0.03850 -1.0 2.0
   42    45   -49    33   0.33900  1.0 3.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    51   0.00000  1.0 1.0
   43    42    45    46   2.50000 -1.0 2.0
   43    42    45    49   1.50000 -1.0 2.0
   43    47    52    53   7.00000 -1.0 2.0
   43    47    52    54   7.00000 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    52   1.00000 -1.0 2.0
   47    52   -53    41   0.28850  1.0 1.0
   47    52   -53    41   2.61350 -1.0 2.0
   47    52   -53    41   0.78400  1.0 3.0
   47    52    53    56   0.28850  1.0 1.0
   47    52    53    56   2.61350 -1.0 2.0
   47    52    53    56   0.78400  1.0 3.0
   47    52    54    55  -0.66100  1.0 1.0
   47    52    54    55   1.20850 -1.0 2.0
   47    52    54    55  -0.36000  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    54   7.00000 -1.0 2.0
   52    53    56    57   7.00000 -1.0 2.0
   52    53    56    67   7.00000 -1.0 2.0
   53    41   -42    43   7.00000 -1.0 2.0
   53    41    42    45   7.00000 -1.0 2.0
   53    52    54    55  -0.66100  1.0 1.0
   53    52    54    55   1.20850 -1.0 2.0
   53    52    54    55  -0.36000  1.0 3.0
   53    56    57    58   1.00000 -1.0 2.0
   53    56    57    59  -1.65800  1.0 1.0
   53    56    57    59   0.77650 -1.0 2.0
   53    56    67    63   0.50400  1.0 1.0
   53    56    67    63   1.60000 -1.0 2.0
   53    56    67    63  -0.01800  1.0 3.0
   53    56    67    68   1.00000 -1.0 2.0
   56    57    59    60  -0.11500  1.0 1.0
   56    57    59    60   1.10450 -1.0 2.0
   56    57    59    60  -0.48050  1.0 3.0
   56    57    59    71  -0.11500  1.0 1.0
   56    57    59    71   1.10450 -1.0 2.0
   56    57    59    71  -0.48050  1.0 3.0
   57    56    67    63   1.50000 -1.0 2.0
   57    56    67    68   2.50000 -1.0 2.0
   57    59    60    61   3.62500 -1.0 2.0
   57    59   -60    63   3.62500 -1.0 2.0
   57    59    71    69   3.62500 -1.0 2.0
   57    59    71    72   3.62500 -1.0 2.0
   58    57    59    60   1.05000 -1.0 2.0
   58    57    59    71   1.05000 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    61    65   3.62500 -1.0 2.0
   59    60    63    64   1.05000 -1.0 2.0
   59    60    63    67   0.56600 -1.0 2.0
   59    71    72    73   0.84100 -1.0 2.0
   60    59    71    69   3.62500 -1.0 2.0
   60    59    71    72   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   60    61   -65    69   3.62500 -1.0 2.0
   60    63   -67    56   0.43900  1.0 1.0
   60    63   -67    56  -0.18150 -1.0 2.0
   60    63   -67    56  -0.03650  1.0 3.0
   60    63    67    68   0.03000  1.0 1.0
   60    63    67    68   0.58800 -1.0 2.0
   60    63    67    68   0.15550  1.0 3.0
   61    60    63    64   1.05000 -1.0 2.0
   61    60    63    67   0.56600 -1.0 2.0
   61    65    69    70   3.62500 -1.0 2.0
   61    65    69    71   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    69   3.62500 -1.0 2.0
   65    69   -71    59   3.62500 -1.0 2.0
   65    69    71    72   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    59   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    59   -60    61   3.62500 -1.0 2.0
   71    59    60    63   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   64    63    67    56   0.03000  1.0 1.0
   64    63    67    56   0.58800 -1.0 2.0
   64    63    67    56   0.15550  1.0 3.0
   64    63    67    68   0.06100 -1.0 2.0
   67    56    57    58   2.50000 -1.0 2.0
   67    56   -57    59   1.50000 -1.0 2.0
   54    52    53    41   0.50950  1.0 1.0
   54    52    53    41   0.56650 -1.0 2.0
   54    52    53    41   0.34050  1.0 3.0
   54    52    53    56   0.50950  1.0 1.0
   54    52    53    56   0.56650 -1.0 2.0
   54    52    53    56   0.34050  1.0 3.0
   45    42    43    44   2.50000 -1.0 2.0
   45    42    43    47   1.50000 -1.0 2.0
   46    45    49    33   0.30150 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.00000  1.0 1.0
   49    33    37    38   0.30150 -1.0 2.0
   49    33   -37    41   0.65300  1.0 1.0
   49    33   -37    41  -0.03850 -1.0 2.0
   49    33   -37    41   0.33900  1.0 3.0
   49    33    39    40  -0.11600  1.0 1.0
   49    33    39    40  -0.09450 -1.0 2.0
   49    33    39    40   0.21250  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    49    45  -0.09450  1.0 1.0
   39    33    49    45  -1.12950 -1.0 2.0
   39    33    49    45   0.54000  1.0 3.0
   39    33    49    50   0.23400  1.0 3.0
   39    33    49    51   0.23400  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    41    37    38  10.50000 -1.0 2.0
   37    53    41    42   1.10000 -1.0 2.0
   43    45    42    41   1.10000 -1.0 2.0
   42    47    43    44  10.50000 -1.0 2.0
   43    48    47    52   1.10000 -1.0 2.0
   53    54    52    47   1.10000 -1.0 2.0
   41    52    53    56   1.10000 -1.0 2.0
   57    67    56    53   1.10000 -1.0 2.0
   56    59    57    58  10.50000 -1.0 2.0
   60    71    59    57   4.00000 -1.0 2.0
   61    63    60    59   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   69    66    65    61   4.00000 -1.0 2.0
   71    70    69    65   1.10000 -1.0 2.0
   69    72    71    59   4.00000 -1.0 2.0
   60    67    63    64  10.50000 -1.0 2.0
   56    63    67    68  10.50000 -1.0 2.0
   42    49    45    46  10.50000 -1.0 2.0
END
