* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    135    214     386
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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   _C15    36     1.80585    98.13950   161.76202
   34    33 S   HC   _H5_    37     1.09257   104.89785   -41.11999
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C11    38     1.53493   109.44529  -160.00554
   39    33 S   CT   _C16    70     1.54039   109.72921    71.84532
   40    39 S   HC   _H14    71     1.09909   109.27706   -55.50915
   41    39 S   HC   _H15    72     1.09652   111.37055    61.48986
   42    38 S   CM   _C12    39     1.46149   115.06131   115.17870
   43    38 S   CMA  _C10    49     1.37011   124.53073   -63.76788
   44    43 S   OM   _O36    50     1.26663   128.36923     0.08623
   45    39 S   CO3  _C17    73     1.53514   115.26956  -174.18156
   46    45 S   O2Z  _O35    74     1.26197   116.28046  -149.24854
   47    45 S   O2Z  _O34    75     1.26489   114.36060    29.94568
   48    42 S   CM   _C13    40     1.34097   126.52052   141.06077
   49    48 S   HC   _H10    41     1.08243   125.72898    -0.08847
   50    43 S   NE   _N5_    51     1.40229   120.76404   178.90478
   51    50 S   H    _H9_    52     1.01364   115.97152   -30.03057
   52    48 S   S    _S2_    42     1.75470   112.78235   179.98022
   53    50 S   C4T  _C8_    53     1.43520   129.77595   156.80540
   54    53 S   HC   _H4_    54     1.09484   110.95300   -17.20834
   55    52 S   CG   _C14    43     1.73643    89.76575    -0.03956
   56    53 S   C4   _C9_    55     1.56029   113.95674  -146.67388
   57    56 S   O    _O33    56     1.20812   136.60168    67.84510
   58    53 S   C4T  _C7_    65     1.54605   116.85337   116.12080
   59    58 S   HC   _H3_    66     1.09669   113.86068  -141.26242
   60    42 S   NG   _N6_    44     1.39703   120.07178   -39.04348
   61    60 S   H    _H11    45     1.01790   124.07428     0.12195
   62    55 S   NG   _N7_    46     1.31664   126.31415   179.97202
   63    62 S   H    _H12    47     1.01329   120.45593   180.00000
   64    62 S   H    _H13    48     1.01375   120.50058     0.03956
   65    56 S   N4   _N4_    57     1.34827    89.30428  -107.57245
   66    65 S   CM   _C6_    58     1.35169   138.97630   169.81744
   67    66 S   CM   _C5_    59     1.34472   121.21553  -164.99373
   68    67 S   HC   _H8_    60     1.08798   119.65003  -179.83929
   69    66 S   CO3  _C18    67     1.51353   122.11585    11.58211
   70    69 S   O2Z  _O38    68     1.26279   115.11954  -116.69468
   71    69 S   O2Z  _O37    69     1.26340   115.11632    63.28645
   72    67 S   CT   _C4_    61     1.51061   125.33092     3.20467
   73    72 S   HC   _H6_    62     1.09476   109.05023   138.63651
   74    72 S   HC   _H7_    63     1.09462   109.66615  -103.36779
   75    72 S   S    _S1_    64     1.83038   113.48319    19.37580
  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
  14   7   2   1   1  16   7   4   3  10   9   3   2   1   1   6
   3   9   4   6   9   6   5   8   3   9   4   4   1   2   1   1
   8   9   8   5   3   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    43    39    40    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    48    60    43    44    50    39    40    41    45    46    47  
   38    42    43    39    40    41    45  
   36    37  
   37  
    0  
   42    48    49    52    55    60    61    43    44    50    51    53    39    40    41    45  
   40    41    45    46    47    42    43  
   41    45    46    47  
   45    46    47  
   48    49    52    55    60    61    62    43    44    50  
   44    50    51    53    54    56    58    48    60  
   50    51    53  
   46    47  
   47  
    0  
   49    52    55    60    61    62  
   52    55    60  
   51    53    54    56    57    65    75    58    59  
   53    54    56    58  
   55    60    61    62    63    64  
   54    56    57    65    66    72    75    58    59  
   56    57    65    75    58    59  
   60    61    62    63    64  
   57    65    66    67    75    58    59    69  
   65    66    58  
   59    69    65    66    67    72    73    74    75  
   65    66    72    75  
   61    62    63    64  
   62  
   63    64  
   64  
    0  
   66    67    68    72    75    69    70    71  
   67    68    72    73    74    75    69    70    71  
   68    72    73    74    75    69    70    71  
   72    73    74    75    69  
   70    71    72  
   71  
    0  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.998700   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.6000   0.3550  -0.015000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.2500   0.0500   0.518000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.151000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   63   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   66   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   380.000  1.444
   38    43   465.000  1.376
   42    48   549.000  1.340
   42    60   400.000  1.378
   48    49   340.000  1.080
   48    52   240.000  1.763
   52    55   220.000  1.793
   55    60   481.000  1.340
   55    62   481.000  1.340
   60    61   434.000  1.010
   62    63   434.000  1.010
   62    64   434.000  1.010
   43    44   745.000  1.250
   43    50   415.000  1.382
   50    51   434.000  1.010
   50    53   382.000  1.448
   53    54   340.000  1.090
   53    56   250.000  1.540
   53    58   268.000  1.529
   56    57   930.000  1.212
   56    65   440.000  1.369
   65    66   400.000  1.384
   65    58   305.000  1.456
   66    67   549.000  1.340
   66    69   230.000  1.545
   67    68   340.000  1.080
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   222.000  1.810
   75    58   200.000  1.824
   58    59   340.000  1.090
   69    70   656.000  1.250
   69    71   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   317.000  1.522
   45    46   656.000  1.250
   45    47   656.000  1.250
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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    43    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    48    70.00000  123.01800
   38    42    60    70.00000  119.11700
   38    43    44    65.00000  137.10300
   38    43    50    75.00000  114.40000
   42    48    49    35.00000  120.00000
   42    48    52    65.00000  122.11800
   42    60    55    70.00000  123.34300
   42    60    61    45.00000  128.62000
   48    52    55    90.00000  100.72000
   52    48    49    40.00000  115.49800
   52    55    60    80.00000  112.78000
   52    55    62    80.00000  112.78000
   55    60    61    35.00000  120.00000
   55    62    63    35.00000  120.00000
   55    62    64    35.00000  120.00000
   60    42    48    70.00000  119.11700
   62    55    60    70.00000  120.00000
   64    62    63    35.00000  120.00000
   43    38    42    70.00000  117.34000
   43    50    51    50.00000  121.48000
   43    50    53    50.00000  121.00000
   50    43    44   105.00000  113.92000
   50    53    54    35.00000  109.50000
   50    53    56    70.00000  113.51500
   50    53    58    80.00000  111.61500
   53    50    51    35.00000  112.50000
   53    56    57    60.00000  136.58000
   53    56    65    95.00000   92.72400
   53    58    65   105.00000   87.49700
   53    58    75    65.00000  119.05700
   53    58    59    37.50000  110.70000
   56    53    54    40.00000  113.37500
   56    65    66    50.00000  132.10000
   56    65    58   100.00000   93.00000
   65    56    57    75.00000  131.60000
   65    66    67    75.00000  120.83300
   65    66    69    80.00000  114.48000
   65    58    75    80.00000  108.62000
   65    58    59    50.00000  112.01000
   66    67    68    35.00000  120.00000
   66    67    72    70.00000  124.00000
   66    69    70    85.00000  113.83300
   66    69    71    85.00000  113.83300
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    75.00000  112.20000
   72    67    68    35.00000  117.00000
   72    75    58    85.00000   99.86700
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    58    59    45.00000  109.41400
   58    53    54    37.50000  110.70000
   58    53    56   100.00000   86.36000
   58    65    66    50.00000  132.70000
   69    66    67    55.00000  124.75400
   71    69    70    80.00000  126.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    45    46    70.00000  117.00000
   39    45    47    70.00000  117.00000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
   47    45    46    80.00000  126.00000
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   0.32350  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    42    48  -0.18600  1.0 3.0
   33    38    42    60   1.08500 -1.0 2.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    50   7.00000 -1.0 2.0
   33    39    45    46   0.41150 -1.0 2.0
   33    39    45    47   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    45  -0.98800  1.0 1.0
   38    33    39    45   0.48800 -1.0 2.0
   38    33    39    45   0.76800  1.0 3.0
   38    42    48    49   7.00000 -1.0 2.0
   38    42    48    52   7.00000 -1.0 2.0
   38    42    60    55  -0.54500  1.0 1.0
   38    42    60    55   1.14150 -1.0 2.0
   38    42    60    61   1.00000 -1.0 2.0
   38    43    50    51   1.00000 -1.0 2.0
   38    43    50    53  -0.54700  1.0 1.0
   38    43    50    53   1.23000 -1.0 2.0
   42    38    43    44   7.00000 -1.0 2.0
   42    38    43    50   7.00000 -1.0 2.0
   42    48   -52    55   1.00000 -1.0 2.0
   48    42   -60    55  -0.54500  1.0 1.0
   48    42   -60    55   1.14150 -1.0 2.0
   48    42    60    61   1.00000 -1.0 2.0
   48    52   -55    60   2.00000 -1.0 2.0
   48    52    55    62   2.00000 -1.0 2.0
   49    48    52    55   1.00000 -1.0 2.0
   52    55   -60    42   4.00000 -1.0 2.0
   52    55    60    61   1.50000 -1.0 2.0
   52    55    62    63   1.50000 -1.0 2.0
   52    55    62    64   1.50000 -1.0 2.0
   60    42    48    49   7.00000 -1.0 2.0
   60    42   -48    52   7.00000 -1.0 2.0
   60    55    62    63   1.50000 -1.0 2.0
   60    55    62    64   1.50000 -1.0 2.0
   62    55    60    42   4.00000 -1.0 2.0
   62    55    60    61   1.50000 -1.0 2.0
   43    38    42    48   0.28850  1.0 1.0
   43    38    42    48   2.61350 -1.0 2.0
   43    38    42    48   0.78400  1.0 3.0
   43    38    42    60  -0.18600  1.0 3.0
   43    50    53    54   0.00000  1.0 1.0
   43    50    53    56  -0.12500  1.0 1.0
   43    50    53    56  -0.12500 -1.0 2.0
   43    50    53    56   0.25000  1.0 3.0
   43    50    53    58   0.25450  1.0 1.0
   43    50    53    58  -0.61700 -1.0 2.0
   43    50    53    58  -0.23550  1.0 3.0
   44    43    50    51   1.00000 -1.0 2.0
   44    43    50    53   1.00000 -1.0 2.0
   50    53    56    57   0.30150 -1.0 2.0
   50    53    56    65   0.00000  1.0 1.0
   50    53   -58    65   2.20050  1.0 1.0
   50    53   -58    65   0.63450 -1.0 2.0
   50    53   -58    65  -0.91300  1.0 3.0
   50    53    58    75   0.00000  1.0 1.0
   50    53    58    59   0.22950  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    56  -0.12500  1.0 1.0
   51    50    53    56  -0.12500 -1.0 2.0
   51    50    53    56   0.25000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   53    56    65    66   3.00000 -1.0 2.0
   53    56   -65    58   3.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    65   0.00000  1.0 1.0
   54    53   -58    65   0.15000  1.0 3.0
   54    53    58    75   0.00000  1.0 1.0
   54    53    58    59   0.15000  1.0 3.0
   56    53   -58    65   3.00000 -1.0 2.0
   56    53    58    75   0.00000  1.0 1.0
   56    53    58    59   0.15000  1.0 3.0
   56    65    66    67   0.00000  1.0 1.0
   56    65    66    69   0.00000  1.0 1.0
   56    65   -58    53   0.00000  1.0 1.0
   56    65   -58    75   0.00000  1.0 1.0
   56    65   -58    59   0.00000  1.0 1.0
   57    56    65    66   3.00000 -1.0 2.0
   57    56    65    58   3.00000 -1.0 2.0
   65    66    67    68   7.00000 -1.0 2.0
   65    66    67    72   7.00000 -1.0 2.0
   65    66    69    70   1.91650 -1.0 2.0
   65    66    69    71   1.91650 -1.0 2.0
   66    65   -58    53   0.00000  1.0 1.0
   66    65    58    75   0.00000  1.0 1.0
   66    65    58    59   0.00000  1.0 1.0
   66    67    72    73   0.00000  1.0 1.0
   66    67    72    74   0.00000  1.0 1.0
   66    67   -72    75   0.42700  1.0 1.0
   66    67   -72    75  -0.70350 -1.0 2.0
   66    67   -72    75  -0.43150  1.0 3.0
   67    66    69    70  -0.04000 -1.0 2.0
   67    66    69    70  -0.29050  1.0 3.0
   67    66    69    71  -0.04000 -1.0 2.0
   67    66    69    71  -0.29050  1.0 3.0
   67    72    75    58  -0.70200  1.0 1.0
   67    72    75    58  -0.14350 -1.0 2.0
   67    72    75    58   0.55200  1.0 3.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    74   0.33100  1.0 3.0
   68    67    72    75   0.00000  1.0 1.0
   72    75    58    53   0.25150  1.0 1.0
   72    75    58    53  -1.17200 -1.0 2.0
   72    75    58    53   0.53050  1.0 3.0
   72    75   -58    65   0.01700  1.0 1.0
   72    75   -58    65  -0.23550 -1.0 2.0
   72    75   -58    65   0.21350  1.0 3.0
   72    75    58    59   0.00000  1.0 1.0
   73    72    75    58   0.32350  1.0 3.0
   74    72    75    58   0.32350  1.0 3.0
   58    53   -56    57  -0.11250  1.0 1.0
   58    53   -56    57   0.11400 -1.0 2.0
   58    53   -56    57  -0.28950  1.0 3.0
   58    53   -56    65   3.00000 -1.0 2.0
   58    65   -66    67   0.00000  1.0 1.0
   58    65    66    69   0.00000  1.0 1.0
   69    66    67    68   7.00000 -1.0 2.0
   69    66    67    72   7.00000 -1.0 2.0
   39    33    38    42   0.98200  1.0 1.0
   39    33    38    42  -0.11900 -1.0 2.0
   39    33    38    42   0.24250  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.00000  1.0 1.0
   41    39    45    46   0.00000  1.0 1.0
   41    39    45    47   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
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    43  15.00000 -1.0 2.0
   38    60    42    48   1.10000 -1.0 2.0
   52    49    48    42   1.10000 -1.0 2.0
   52    60    55    62  10.50000 -1.0 2.0
   61    55    60    42   1.00000 -1.0 2.0
   63    64    62    55   1.00000 -1.0 2.0
   50    44    43    38  15.00000 -1.0 2.0
   51    43    50    53   1.00000 -1.0 2.0
   53    65    56    57  10.50000 -1.0 2.0
   58    56    65    66   1.00000 -1.0 2.0
   65    69    66    67   1.10000 -1.0 2.0
   72    68    67    66   1.10000 -1.0 2.0
   70    66    69    71  10.50000 -1.0 2.0
   46    39    45    47  10.50000 -1.0 2.0
END
