* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    134    209     393
    1     0 S   NP   _N1_     1    29.17460    95.21374   -18.52694
    2     1 S   H    _HN1     2     1.02802    75.45754   -51.12152
    3     1 S   H    _H1_     3     1.02949   103.82080    54.43094
    4     1 S   H    _H2_     4     1.02848    35.75268   154.83995
    5     1 S   CT   _CA1     5     1.50012   139.28468  -158.13309
    6     5 S   HC   _HA1     6     1.09597   105.29256    32.27342
    7     5 S   CO3  _C1_     7     1.53677   112.23396   -87.75324
    8     7 S   O2Z  _O11     8     1.26341   115.33143   -56.01452
    9     7 S   O2Z  _O12     9     1.26225   114.95394   123.54159
   10     5 S   CT   _CB1    10     1.53078   107.43799   149.76355
   11    10 S   HC   HB11    11     1.09804   109.22249   -54.15965
   12    10 S   HC   HB12    12     1.09828   110.62039    62.37331
   13    10 S   CT   _CG1    13     1.52924   112.39064  -175.44658
   14    13 S   HC   HG11    14     1.09520   110.01504   -61.66571
   15    13 S   HC   HG12    15     1.09602   110.26406    57.39175
   16    13 S   C    _CD1    16     1.51690   112.09442   177.31686
   17    16 S   O    _OE1    17     1.22748   122.89173   -20.91440
   18    16 S   N    _N2_    18     1.38493   111.84239   160.50992
   19    18 S   H    _HN2    19     1.01892   118.77406     2.82715
   20    18 S   CT1  _CA2    20     1.46263   123.55243  -178.93192
   21    20 S   HC   _HA2    21     1.09734   109.08774   -24.05960
   22    20 S   C    _C2_    22     1.53570   107.93429  -139.52111
   23    22 S   O    _O2_    23     1.23022   122.44230  -147.03294
   24    20 S   CT   _CB2    32     1.53566   111.70090    98.44462
   25    24 S   HC   HB21    33     1.09446   109.57066    51.75002
   26    24 S   HC   HB22    34     1.09509   110.65629   169.66250
   27    22 S   N    _N3_    24     1.38555   113.37788    40.42546
   28    27 S   H    _HN3    25     1.01544   118.99561    -2.09181
   29    24 S   S    _SG2    35     1.82963   112.37961   -71.72549
   30    27 S   CT   _CA3    26     1.45376   123.22671   175.74048
   31    30 S   HC   HA31    27     1.09551   108.73637    32.23409
   32    30 S   HC   HA32    28     1.09492   107.18561   149.09999
   33    29 S   CT   _C8_    36     1.84517   100.14606   139.53781
   34    33 S   HC   _H4_    37     1.09592   108.52501    29.61452
   35    30 S   CO3  _C3_    29     1.52962   113.66546   -90.91817
   36    35 S   O2Z  _O31    30     1.26367   115.72231   -38.28086
   37    35 S   O2Z  _O32    31     1.26421   114.78572   142.69920
   38    33 S   CM   _C9_    38     1.52558   108.60584   -89.68087
   39    38 S   CT   _C4_    39     1.51563   114.37482   -80.10663
   40    39 S   HC   _H6_    40     1.09820   108.08798    63.49660
   41    39 S   HC   _H7_    41     1.09341   112.97407   179.22242
   42    38 S   CM   _C10    53     1.34524   119.77487   100.87665
   43    42 S   HC   _H9_    54     1.08602   119.34530    -1.78004
   44    39 S   CT1  _C5_    42     1.52908   111.57537   -56.26519
   45    44 S   HC   _H3_    43     1.09803   107.46552   162.50262
   46    42 S   CG   _C11    55     1.47585   123.92097   178.24933
   47    46 S   HC   _H10    56     1.09942   118.37876   -24.76991
   48    44 S   NE   _N4_    44     1.45189   111.15381    44.43522
   49    48 S   H    _H8_    45     1.01757   117.78645   168.20341
   50    44 S   CO3  _C18    50     1.54252   116.42005   -79.17946
   51    50 S   O2Z  _O38    51     1.26385   116.58017     7.33066
   52    50 S   O2Z  _O37    52     1.26704   114.79067  -170.79581
   53    46 S   NIP  _N5_    57     1.27432   124.67173   154.81837
   54    33 S   CM   _C6_    46     1.51470   109.06907   147.49906
   55    53 S   CM   _C12    58     1.37998   129.65593    -7.59683
   56    55 S   HC   _H11    59     1.07886   125.06386     6.67714
   57    54 S   CMA  _C7_    47     1.54100   120.94265   -77.08866
   58    57 S   OM   _O33    48     1.26484   120.62426   161.84526
   59    57 S   OM   _O34    49     1.26399   121.56379   -18.67180
   60    55 S   CM   _C13    60     1.34852   107.33489  -169.25006
   61    60 S   NI   _N6_    61     1.40157   114.48008    -2.76003
   62    60 S   CT   _C15    64     1.49807   125.84329   175.23408
   63    62 S   HC   _H13    65     1.09789   108.06580   134.17462
   64    62 S   HC   _H14    66     1.09783   110.02874    18.79503
   65    53 S   CDX  _C14    62     1.55038   126.63769  -176.76481
   66    65 S   HC   _H12    63     1.09901   124.63440    -8.86918
   67    62 S   CT   _C16    67     1.53517   111.99438  -103.87473
   68    67 S   HC   _H5_    68     1.09739   109.82687   -50.94358
   69    67 S   CO3  _C17    69     1.54689   116.43297    71.10056
   70    69 S   O2Z  _O36    70     1.26104   116.82095     0.44937
   71    69 S   O2Z  _O35    71     1.26544   113.83919   179.60189
   72    67 S   NP   _N7_    72     1.50587   107.24054  -163.79731
   73    72 S   H    _H15    73     1.02807   112.08827    60.03747
   74    72 S   H    _H16    74     1.02850   111.54035   -61.71140
   75    72 S   H    _H17    75     1.02995   109.77372   179.62991
  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   8   5   4   3
  15   6   2   1   1  14  13   6   5   8   3   8   6   8   3   8
   3   3   1   1   7   3   9   4   2   1   1  10   6  12   5   4
   1   1   8   7   6   2   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    57    58    59    42    43    46  
   38    39    48    54    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    57    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    55    65    44    54  
   46    47    53  
   45    48    49    54    57    50    51    52  
   48    49    54    50    51    52  
   47    53    55    56    60    61    65    66  
   53    55    65  
   49    54    57    58    59    50    51    52  
   54    57    50  
   51    52    54  
   52  
    0  
   55    56    60    61    65    66    62  
   57    58    59  
   56    60    61    65    66    62    63    64    67  
   60    61    65    62  
   58    59  
   59  
    0  
   61    65    66    62    63    64    67    68    69    72  
   65    66    62    63    64    67  
   63    64    67    68    69    70    71    72    73    74    75    65  
   64    67    68    69    72  
   67    68    69    72  
   66  
    0  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72  
   72  
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   61   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   70   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   71   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   72   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   73   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   425.000  1.378
   54    57   465.000  1.376
   57    58   745.000  1.250
   57    59   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    55   335.000  1.413
   53    65   335.000  1.413
   55    56   340.000  1.080
   55    60   549.000  1.340
   60    61   405.000  1.380
   60    62   317.000  1.510
   61    65   650.000  1.285
   65    66   370.000  1.091
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   317.000  1.522
   67    72   367.000  1.471
   69    70   656.000  1.250
   69    71   656.000  1.250
   72    73   434.000  1.010
   72    74   434.000  1.010
   72    75   434.000  1.010
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    54    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    75.00000  116.24600
   33    54    57    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    54    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    54    57    70.00000  124.03900
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  110.12100
   54    48    49    35.00000  114.50000
   54    57    58    65.00000  137.10300
   54    57    59    65.00000  137.10300
   59    57    58    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    55    70.00000  118.46000
   46    53    65    70.00000  118.46000
   53    46    47    45.00000  118.03900
   53    55    56    45.00000  112.60000
   53    55    60    70.00000  113.56000
   53    65    61    75.00000  124.00000
   53    65    66    45.00000  112.60000
   55    60    61    70.00000  120.83400
   55    60    62    70.00000  124.00000
   60    55    56    35.00000  120.00000
   60    61    65    70.00000  116.49400
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    67    70.00000  112.02700
   61    65    66    45.00000  121.92500
   65    53    55    70.00000  121.00000
   62    60    61    65.00000  119.96000
   62    67    68    37.50000  110.70000
   62    67    69    70.00000  109.69300
   62    67    72    80.00000  111.20000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    69    70    70.00000  117.00000
   67    69    71    70.00000  117.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   69    67    68    35.00000  109.50000
   71    69    70    80.00000  126.00000
   72    67    68    35.00000  109.50000
   72    67    69    80.00000  109.26000
   74    72    73    35.00000  109.50000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  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    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    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  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    54    48   0.09700  1.0 1.0
   29    33    54    48   0.15600 -1.0 2.0
   29    33    54    48  -0.50800  1.0 3.0
   29    33    54    57   0.42700  1.0 1.0
   29    33    54    57  -0.70350 -1.0 2.0
   29    33    54    57  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    57    58   7.00000 -1.0 2.0
   33    54    57    59   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48  -0.18050  1.0 3.0
   34    33    54    57   0.00000  1.0 1.0
   38    33    54    48  -1.35150  1.0 1.0
   38    33    54    48   0.13900 -1.0 2.0
   38    33    54    48   0.25250  1.0 3.0
   38    33    54    57  -0.28300  1.0 1.0
   38    33    54    57   0.26700 -1.0 2.0
   38    33    54    57  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    54   0.25450  1.0 1.0
   39    44    48    54  -0.61700 -1.0 2.0
   39    44    48    54  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   1.00000 -1.0 2.0
   44    48    54    57  -0.54700  1.0 1.0
   44    48    54    57   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    54   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    54    57    58   7.00000 -1.0 2.0
   48    54    57    59   7.00000 -1.0 2.0
   49    48    54    33   2.40850 -1.0 2.0
   49    48    54    57   1.00000 -1.0 2.0
   54    33   -38    39   0.09700  1.0 1.0
   54    33   -38    39   0.15600 -1.0 2.0
   54    33   -38    39  -0.50800  1.0 3.0
   54    33    38    42  -0.28300  1.0 1.0
   54    33    38    42   0.26700 -1.0 2.0
   54    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    54  -0.12500  1.0 1.0
   50    44    48    54  -0.12500 -1.0 2.0
   50    44    48    54   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    55   2.00000 -1.0 2.0
   42    46    53    65   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    55    56   5.00000 -1.0 2.0
   46    53    55    60   5.00000 -1.0 2.0
   46    53    65    61   5.00000 -1.0 2.0
   46    53    65    66   5.00000 -1.0 2.0
   47    46    53    55   2.00000 -1.0 2.0
   47    46    53    65   2.00000 -1.0 2.0
   53    55   -60    61   7.00000 -1.0 2.0
   53    55    60    62   7.00000 -1.0 2.0
   55    53   -65    61   5.00000 -1.0 2.0
   55    53    65    66   5.00000 -1.0 2.0
   55    60   -61    65   1.00000 -1.0 2.0
   55    60    62    63   0.00000  1.0 1.0
   55    60    62    64   0.00000  1.0 1.0
   55    60    62    67   0.09850  1.0 1.0
   55    60    62    67   0.15250 -1.0 2.0
   55    60    62    67  -0.50650  1.0 3.0
   56    55    60    61   7.00000 -1.0 2.0
   56    55    60    62   7.00000 -1.0 2.0
   60    61   -65    53   6.00000 -1.0 2.0
   60    61    65    66   4.00000 -1.0 2.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    69  -0.98800  1.0 1.0
   60    62    67    69   0.48800 -1.0 2.0
   60    62    67    69   0.76800  1.0 3.0
   60    62    67    72  -0.47300  1.0 1.0
   60    62    67    72   0.29700 -1.0 2.0
   60    62    67    72   0.83300  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    67   0.09700  1.0 1.0
   61    60    62    67   0.15600 -1.0 2.0
   61    60    62    67  -0.50800  1.0 3.0
   65    53    55    56   5.00000 -1.0 2.0
   65    53   -55    60   5.00000 -1.0 2.0
   62    60    61    65   1.00000 -1.0 2.0
   62    67    69    70   0.41150 -1.0 2.0
   62    67    69    71   0.41150 -1.0 2.0
   62    67    72    73   0.17350  1.0 3.0
   62    67    72    74   0.17350  1.0 3.0
   62    67    72    75   0.17350  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69  -0.11250  1.0 3.0
   63    62    67    72   0.19200  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69  -0.11250  1.0 3.0
   64    62    67    72   0.19200  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    72    73   0.13050  1.0 3.0
   68    67    72    74   0.13050  1.0 3.0
   68    67    72    75   0.13050  1.0 3.0
   69    67    72    73   0.17350  1.0 3.0
   69    67    72    74   0.17350  1.0 3.0
   69    67    72    75   0.17350  1.0 3.0
   72    67    69    70   0.30150 -1.0 2.0
   72    67    69    71   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   49    54    48    44   1.00000 -1.0 2.0
   33    48    54    57   1.10000 -1.0 2.0
   58    59    57    54   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   55    65    53    46   1.00000 -1.0 2.0
   53    56    55    60   1.10000 -1.0 2.0
   62    61    60    55   1.10000 -1.0 2.0
   53    66    65    61  10.50000 -1.0 2.0
   70    67    69    71  10.50000 -1.0 2.0
END
