* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    138    213     400
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02037   103.91096   -36.91060
    3     1 S   H    _H1_     3     1.02067    70.03362    68.22856
    4     1 S   H    _H2_     4     1.02116    43.19144  -139.60152
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08491   110.67486    58.63995
   26    24 S   HC   HB22    34     1.08491   110.07674   179.23179
   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   _C13    36     1.91127    95.32898   161.87270
   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   CT   _C18    37     1.53341   105.29242   -79.97046
   38    37 S   HC   _H9_    38     1.09958   109.80363   165.44845
   39    37 S   HC   _H10    39     1.10104   109.05932    51.73201
   40    33 S   OS   _O35    65     1.45067   107.55588    43.37671
   41    37 S   CMA  _C17    40     1.55568   112.16940   -72.68910
   42    41 S   OM   _O37    41     1.26545   109.03347   162.50902
   43    41 S   CM   _C16    42     1.36506   120.22299   -15.98655
   44    43 S   CO4  _C15    43     1.51663   121.63329    -4.11633
   45    44 S   O    _O36    44     1.22730   120.70344   168.80273
   46    43 S   CO4  _C19    70     1.47692   119.26596   176.82405
   47    46 S   O    _O38    71     1.22730   120.11565   -59.56092
   48    33 S   CT   _C14    45     1.54918   115.60584   160.65536
   49    46 S   CT   _C20    72     1.50184   117.68240   119.94484
   50    49 S   HC   _H11    73     1.09372   111.47565    90.02505
   51    49 S   HC   _H12    74     1.09276   109.23770   -30.04887
   52    49 S   HC   _H13    75     1.09339   109.11259  -150.44996
   53    48 S   CA   _C7_    46     1.49062    96.32002   -77.74643
   54    48 S   CT   _C21    66     1.55024   115.83081   170.43647
   55    54 S   HC   _H14    67     1.08141   108.64537   -74.30527
   56    54 S   HC   _H15    68     1.08114   108.65858   165.72427
   57    54 S   HC   _H16    69     1.08064   108.67003    45.74111
   58    53 S   CA   _C8_    47     1.40308   107.00447   -27.89683
   59    58 S   CA   _C9_    48     1.37922   122.37400  -174.15444
   60    59 S   CA   _C10    49     1.39611   117.21510    -1.04249
   61    60 S   OM   _O33    50     1.28526   119.60173  -179.42461
   62    59 S   CO4  _C11    59     1.46140   119.07274   179.93744
   63    62 S   O    _O34    60     1.22822   124.71358   119.22040
   64    60 S   CA   _C5_    51     1.40836   120.86196     0.62370
   65    62 S   CT   _C12    61     1.49793   117.24830   -60.97116
   66    65 S   HC   _H6_    62     1.10127   114.11015    89.96291
   67    65 S   HC   _H7_    63     1.10080   113.24172   -33.39462
   68    65 S   HC   _H8_    64     1.10476   112.97897  -151.83877
   69    53 S   CA   _C6_    52     1.38030   132.08328   158.30202
   70    64 S   CT   _C4_    55     1.50345   121.16921   179.59266
   71    70 S   HC   _H3_    56     1.09276   109.83038    89.93301
   72    70 S   HC   _H4_    57     1.09332   110.70313  -149.51245
   73    70 S   HC   _H5_    58     1.09372   110.68154   -30.53966
   74    69 S   OH   _O39    53     1.35784   121.36363    -3.96625
   75    74 S   HO   _H17    54     0.97160   110.51349    -0.02798
  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
  18   2   1   1  12   6   5  10   8   3  11  12   4   6   4  10
   3   2   1   1  13   5   2   1   1   9  11  11   4   6   4   7
   3   2   1   1   6   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    44    48    53    58    40    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    43    44    45    48    53    58    59    69    40    54    55    56    57  
   35    36  
   36  
    0  
   38    39    41    42    43    44    48    53    58    40    54    46  
   39    41    42    43    48    40  
   41    42    43    48    40  
   54    41    44    48    53    58    59    60    62    69  
   42    43    44    45    48    46    47    49  
   43    44    46  
   44    45    48    53    54    46    47    49    50    51    52  
   45    48    53    58    69    54    55    56    57    46    47    49  
   48    53    54    46  
   47    49    50    51    52    48  
   49    50    51    52  
   53    58    59    64    69    74    54    55    56    57  
   50    51    52  
   51    52  
   52  
    0  
   58    59    60    64    69    74    75    70    62    54    55    56    57  
   55    56    57    58    69  
   56    57  
   57  
    0  
   59    60    61    64    69    74    62    63    65  
   60    61    64    69    70    62    63    65    66    67    68  
   61    64    69    74    70    71    72    73    62    63    65  
   64    69    70    62  
   63    65    66    67    68    64  
   65    66    67    68  
   69    74    75    70    71    72    73  
   66    67    68  
   67    68  
   68  
    0  
   74    75    70    71    72    73  
   71    72    73    74  
   72    73  
   73  
    0  
   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  -0.316400   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   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   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   268.000  1.529
   33    48   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   270.000  1.512
   41    42   745.000  1.250
   41    43   465.000  1.376
   43    44   320.000  1.462
   43    46   320.000  1.462
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    53   317.000  1.510
   48    54   268.000  1.529
   53    58   469.000  1.400
   53    69   469.000  1.400
   58    59   469.000  1.400
   58    40   450.000  1.364
   59    60   469.000  1.400
   59    62   310.000  1.470
   60    61   450.000  1.364
   60    64   469.000  1.400
   64    69   469.000  1.400
   64    70   317.000  1.510
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  111.63000
   29    33    48    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    70.00000  112.02700
   33    48    44    63.00000  111.10000
   33    48    53    70.00000  112.17500
   33    48    54    58.35000  112.70000
   33    40    58    75.00000  111.00000
   37    41    42    85.00000  112.85300
   37    41    43    65.00000  122.18000
   39    37    38    33.00000  107.80000
   41    37    38    45.00000  110.52000
   41    37    39    45.00000  110.52000
   41    43    44    60.00000  125.92000
   41    43    46    60.00000  125.92000
   43    41    42    65.00000  137.10300
   43    44    45    80.00000  123.72100
   43    44    48    65.00000  118.62400
   43    46    47    80.00000  123.72100
   43    46    49    65.00000  118.62400
   44    48    53    70.00000  110.93000
   44    48    54    63.00000  111.10000
   48    33    37    58.35000  112.70000
   48    44    45    80.00000  120.40000
   48    53    58    70.00000  120.00000
   48    53    69    70.00000  120.00000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   53    58    59    63.00000  120.00000
   53    58    40    70.00000  120.00000
   53    69    64    63.00000  120.00000
   53    69    74    70.00000  120.00000
   58    59    60    63.00000  120.00000
   58    59    62    60.00000  119.52600
   59    60    61    70.00000  120.00000
   59    60    64    63.00000  120.00000
   59    62    63    75.00000  123.78400
   59    62    65    65.00000  115.47100
   60    64    69    63.00000  120.00000
   60    64    70    70.00000  120.00000
   64    60    61    70.00000  120.00000
   64    69    74    70.00000  120.00000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   69    53    58    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    64    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    59    60    60.00000  119.52600
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   65    62    63    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    48    50.00000  109.50000
   40    58    59    70.00000  120.00000
   54    48    53    70.00000  112.17500
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    43    44    65.00000  115.30000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   49    46    47    80.00000  120.40000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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   0.01700  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   29    33    48    54   0.44750  1.0 1.0
   29    33    48    54  -0.17800 -1.0 2.0
   29    33    48    54   0.20200  1.0 3.0
   29    33    40    58   0.14700  1.0 1.0
   29    33    40    58  -1.16150 -1.0 2.0
   29    33    40    58   0.48700  1.0 3.0
   33    37    41    42   0.09700  1.0 1.0
   33    37    41    42   0.15600 -1.0 2.0
   33    37    41    42  -0.50800  1.0 3.0
   33    37    41    43   0.09850  1.0 1.0
   33    37    41    43   0.15250 -1.0 2.0
   33    37    41    43  -0.50650  1.0 3.0
   33    48   -53    58   0.04150 -1.0 2.0
   33    48    53    69   0.04150 -1.0 2.0
   33    48    54    55   0.15000  1.0 3.0
   33    48    54    56   0.15000  1.0 3.0
   33    48    54    57   0.15000  1.0 3.0
   37    33    48    44  -0.95700  1.0 1.0
   37    33    48    44  -0.18200 -1.0 2.0
   37    33    48    44   0.29450  1.0 3.0
   37    33    48    53  -0.03700  1.0 1.0
   37    33    48    53   0.37200 -1.0 2.0
   37    33    48    53  -0.47300  1.0 3.0
   37    33    48    54   0.56750  1.0 1.0
   37    33    48    54  -0.07550 -1.0 2.0
   37    33    48    54   0.20000  1.0 3.0
   37    33    40    58  -0.32850  1.0 1.0
   37    33    40    58  -0.35800 -1.0 2.0
   37    33    40    58   0.33950  1.0 3.0
   37    41   -43    44   7.00000 -1.0 2.0
   37    41    43    46   7.00000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    43   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    43   0.00000  1.0 1.0
   41    43    44    45   1.00000 -1.0 2.0
   41    43    44    48  -0.33500  1.0 1.0
   41    43    44    48   1.06600 -1.0 2.0
   41    43    44    48  -0.14000  1.0 3.0
   41    43    46    47   1.00000 -1.0 2.0
   41    43    46    49  -0.33500  1.0 1.0
   41    43    46    49   1.06600 -1.0 2.0
   41    43    46    49  -0.14000  1.0 3.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    46   7.00000 -1.0 2.0
   43    44   -48    33   0.65300  1.0 1.0
   43    44   -48    33  -0.03850 -1.0 2.0
   43    44   -48    33   0.33900  1.0 3.0
   43    44    48    53   0.65300  1.0 1.0
   43    44    48    53  -0.03850 -1.0 2.0
   43    44    48    53   0.33900  1.0 3.0
   43    44    48    54   0.65300  1.0 1.0
   43    44    48    54  -0.03850 -1.0 2.0
   43    44    48    54   0.33900  1.0 3.0
   43    46    49    50   0.00000  1.0 1.0
   43    46    49    51   0.00000  1.0 1.0
   43    46    49    52   0.00000  1.0 1.0
   44    43    46    47   2.50000 -1.0 2.0
   44    43    46    49   1.50000 -1.0 2.0
   44    48    53    58   0.04300 -1.0 2.0
   44    48    53    69   0.04300 -1.0 2.0
   44    48    54    55  -0.11250  1.0 3.0
   44    48    54    56  -0.11250  1.0 3.0
   44    48    54    57  -0.11250  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    53   0.30150 -1.0 2.0
   45    44    48    54   0.30150 -1.0 2.0
   48    33    37    38   0.15000  1.0 3.0
   48    33    37    39   0.15000  1.0 3.0
   48    33   -37    41   0.34400  1.0 1.0
   48    33   -37    41   0.09450 -1.0 2.0
   48    33   -37    41   0.11100  1.0 3.0
   48    33   -40    58  -0.32850  1.0 1.0
   48    33   -40    58  -0.35800 -1.0 2.0
   48    33   -40    58   0.33950  1.0 3.0
   48    53    58    59   3.62500 -1.0 2.0
   48    53   -58    40   3.62500 -1.0 2.0
   48    53    69    64   3.62500 -1.0 2.0
   48    53    69    74   3.62500 -1.0 2.0
   53    48    54    55   0.43200  1.0 3.0
   53    48    54    56   0.43200  1.0 3.0
   53    48    54    57   0.43200  1.0 3.0
   53    58    59    60   3.62500 -1.0 2.0
   53    58    59    62   3.62500 -1.0 2.0
   53    58   -40    33   1.63200 -1.0 2.0
   53    69    74    75   0.84100 -1.0 2.0
   58    53    69    64   3.62500 -1.0 2.0
   58    53    69    74   3.62500 -1.0 2.0
   58    59    60    61   3.62500 -1.0 2.0
   58    59   -60    64   3.62500 -1.0 2.0
   58    59    62    63   1.05000 -1.0 2.0
   58    59    62    65   2.26350  1.0 1.0
   58    59    62    65   0.76750 -1.0 2.0
   58    59    62    65   0.22500  1.0 3.0
   59    58    40    33   1.63200 -1.0 2.0
   59    60    64    69   3.62500 -1.0 2.0
   59    60    64    70   3.62500 -1.0 2.0
   59    62    65    66   0.00000  1.0 1.0
   59    62    65    67   0.00000  1.0 1.0
   59    62    65    68   0.00000  1.0 1.0
   60    59    62    63   1.05000 -1.0 2.0
   60    59    62    65   2.26350  1.0 1.0
   60    59    62    65   0.76750 -1.0 2.0
   60    59    62    65   0.22500  1.0 3.0
   60    64   -69    53   3.62500 -1.0 2.0
   60    64    69    74   3.62500 -1.0 2.0
   60    64    70    71   0.00000  1.0 1.0
   60    64    70    72   0.00000  1.0 1.0
   60    64    70    73   0.00000  1.0 1.0
   61    60    64    69   3.62500 -1.0 2.0
   61    60    64    70   3.62500 -1.0 2.0
   64    69    74    75   0.84100 -1.0 2.0
   69    53   -58    59   3.62500 -1.0 2.0
   69    53    58    40   3.62500 -1.0 2.0
   69    64    70    71   0.00000  1.0 1.0
   69    64    70    72   0.00000  1.0 1.0
   69    64    70    73   0.00000  1.0 1.0
   70    64    69    53   3.62500 -1.0 2.0
   70    64    69    74   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    64   3.62500 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41   0.61850  1.0 1.0
   40    33    37    41  -0.22750 -1.0 2.0
   40    33    37    41   0.15300  1.0 3.0
   40    33    48    44  -0.09450  1.0 1.0
   40    33    48    44  -1.12950 -1.0 2.0
   40    33    48    44   0.54000  1.0 3.0
   40    33   -48    53  -0.64350  1.0 1.0
   40    33   -48    53  -0.04200 -1.0 2.0
   40    33   -48    53   0.19800  1.0 3.0
   40    33    48    54   0.62750  1.0 1.0
   40    33    48    54  -0.30950 -1.0 2.0
   40    33    48    54   0.27300  1.0 3.0
   40    58    59    60   3.62500 -1.0 2.0
   40    58    59    62   3.62500 -1.0 2.0
   54    48    53    58   0.04150 -1.0 2.0
   54    48    53    69   0.04150 -1.0 2.0
   46    43    44    45   2.50000 -1.0 2.0
   46    43    44    48   1.50000 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
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
   37    42    41    43   1.10000 -1.0 2.0
   44    46    43    41   1.10000 -1.0 2.0
   43    48    44    45  10.50000 -1.0 2.0
   58    69    53    48   4.00000 -1.0 2.0
   59    40    58    53   4.00000 -1.0 2.0
   60    62    59    58   4.00000 -1.0 2.0
   64    61    60    59   4.00000 -1.0 2.0
   69    70    64    60   4.00000 -1.0 2.0
   64    74    69    53   4.00000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
   43    49    46    47  10.50000 -1.0 2.0
END
