* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    122    193     354
    1     0 S   NP   _N1_     1    28.83468    96.65391   -23.09554
    2     1 S   H    _HN1     2     1.02948    68.79602    14.32913
    3     1 S   H    _H1_     3     1.02827    41.82959   169.22251
    4     1 S   H    _H2_     4     1.02787   104.56055   -90.07226
    5     1 S   CT   _CA1     5     1.50114   140.69049   111.01908
    6     5 S   HC   _HA1     6     1.09572   105.18261    96.54111
    7     5 S   CO3  _C1_     7     1.53787   112.50634   -23.69066
    8     7 S   O2Z  _O11     8     1.26374   115.00420   -41.41857
    9     7 S   O2Z  _O12     9     1.26240   114.95184   137.72300
   10     5 S   CT   _CB1    10     1.53080   107.42532  -145.44524
   11    10 S   HC   HB11    11     1.09834   109.37408   -49.37541
   12    10 S   HC   HB12    12     1.09812   110.44768    67.24318
   13    10 S   CT   _CG1    13     1.52992   112.60689  -170.33008
   14    13 S   HC   HG11    14     1.09578   110.66882   -66.22701
   15    13 S   HC   HG12    15     1.09673   109.74243    53.00254
   16    13 S   C    _CD1    16     1.51806   112.19390   173.49277
   17    16 S   O    _OE1    17     1.22731   123.26115     8.90503
   18    16 S   N    _N2_    18     1.38657   111.65639  -171.14656
   19    18 S   H    _HN2    19     1.01576   118.97606     1.80190
   20    18 S   CT1  _CA2    20     1.46285   123.44576   177.55415
   21    20 S   HC   _HA2    21     1.09748   109.14573     7.18114
   22    20 S   C    _C2_    22     1.53674   109.65028  -108.24799
   23    22 S   O    _O2_    23     1.23080   122.03758  -156.74812
   24    20 S   CT   _CB2    32     1.53440   111.13011   128.97084
   25    24 S   HC   HB21    33     1.09489   109.72868    53.82276
   26    24 S   HC   HB22    34     1.09335   110.43427   173.68627
   27    22 S   N    _N3_    24     1.38225   114.19401    30.62117
   28    27 S   H    _HN3    25     1.01541   119.58403    -3.53424
   29    24 S   S    _SG2    35     1.82258   110.94499   -67.01067
   30    27 S   CT   _CA3    26     1.45277   123.28503   177.09889
   31    30 S   HC   HA31    27     1.09549   107.58286   -63.02272
   32    30 S   HC   HA32    28     1.09557   107.92026    53.42795
   33    29 S   CT   _C20    36     1.85591   100.56838   164.84991
   34    33 S   HC   _H3_    37     1.09209   106.54796   -51.97463
   35    30 S   CO3  _C3_    29     1.52967   114.02310   175.37738
   36    35 S   O2Z  _O31    30     1.26384   116.05517    -0.17583
   37    35 S   O2Z  _O32    31     1.26422   114.42225   179.87333
   38    33 S   CM   _C15    38     1.52796   111.14606    69.85038
   39    38 S   CM   _C16    39     1.46660   112.19885    76.31278
   40    39 S   HC   _H13    40     1.08686   117.23309  -152.40797
   41    38 S   CMA  _C14    47     1.36494   126.80703  -107.85207
   42    41 S   OM   _O34    48     1.26614   130.25015  -178.72635
   43    39 S   CM   _C17    41     1.35042   122.05275    28.79128
   44    43 S   Br   Br2_    42     1.89539   117.44807  -177.67148
   45    41 S   C5B  _C7_    49     1.44752   120.75846    -3.60961
   46    43 S   CMA  _C18    43     1.49160   120.81458     2.89563
   47    46 S   OM   _O35    44     1.26276   113.26686   160.01598
   48    45 S   C56B _C8_    50     1.43328   126.74829   -67.30176
   49    45 S   C5A  _C6_    61     1.38787   127.15940   114.03840
   50    33 S   CM   _C19    45     1.52093   106.82306  -169.00358
   51    50 S   Br   Br1_    46     1.88593   114.06834    90.49976
   52    48 S   CA   _C9_    51     1.40909   135.94048    -0.24309
   53    52 S   HA   _H9_    52     1.08622   120.92762    -0.54465
   54    49 S   CT   _C5_    62     1.48538   134.50668     0.69605
   55    54 S   HC   _H7_    63     1.09597   109.25662  -135.29024
   56    54 S   HC   _H8_    64     1.09485   110.44446   -17.99238
   57    52 S   CA   _C10    53     1.40108   118.92195   179.16350
   58    57 S   HA   _H10    54     1.08707   119.37936  -179.73533
   59    54 S   CT   _C4_    65     1.52046   111.67730   103.68080
   60    59 S   HC   _H4_    66     1.09513   111.31616   -60.09379
   61    59 S   HC   _H5_    67     1.09460   110.23815   179.97202
   62    59 S   HC   _H6_    68     1.09541   111.26106    60.15533
   63    57 S   CA   _C11    55     1.39638   120.95806     0.25334
   64    63 S   HA   _H11    56     1.08724   119.45594   179.96044
   65    63 S   CA   _C12    57     1.39794   121.17236     0.09691
   66    65 S   HA   _H12    58     1.08336   121.72914   179.75772
   67    48 S   C56A _C13    59     1.38941   105.84095   179.47362
   68    67 S   OA   _O33    60     1.35977   110.41989     0.88049
  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
  12   6   2   1   1  12   9   4  10   3   5   3  12   3   2  11
  11   1   1   8   4   8   6   5   6   3   4   2   1   1   5   3
   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    50    51    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    47    50    51    41    42    45  
   38    39    46    50    51    41  
   36    37  
   37  
    0  
   39    40    43    44    46    50    51    41    42    45    48    49  
   40    43    44    46    47    50    41    42    45  
   43    44    46    41  
   42    45    48    52    67    68    49    54    43    50  
   45    48    49  
   44    46    47    50    51  
   46    47    50  
   48    52    53    57    65    67    68    49    54    55    56    59  
   47    50    51  
   50    51  
   52    53    57    58    63    65    66    67    68    49    54  
   54    55    56    59    60    61    62    52    65    67    68  
   51  
    0  
   53    57    58    63    64    65    67    68  
   57    58    63    67  
   55    56    59    60    61    62    67    68  
   56    59    60    61    62    68  
   59    60    61    62    68  
   58    63    64    65    66    67  
   63    64    65  
   60    61    62    68  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67    68  
   67    68  
   68  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.421700   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   45   3.5500   0.0700  -0.272700   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760  -0.421700   2.0020   1.7750   0.023028004  -0.852763146
   51   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   52   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.122800   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.149800   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
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    50   317.000  1.510
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    43   549.000  1.340
   43    44   165.000  1.979
   43    46   465.000  1.376
   46    47   745.000  1.250
   46    50   465.000  1.376
   50    51   165.000  1.979
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    48   380.000  1.440
   45    49   520.000  1.370
   48    52   469.000  1.404
   48    67   447.000  1.419
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   425.000  1.380
   68    49   340.000  1.360
   49    54   295.000  1.489
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    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    50    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    50    46    70.00000  124.00000
   33    50    51    70.00000  111.14000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    43    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    45    60.00000  123.20500
   39    43    44    65.00000  115.01300
   39    43    46    70.00000  117.34000
   43    39    40    35.00000  120.00000
   43    46    47    65.00000  137.10300
   43    46    50    70.00000  123.01800
   46    43    44    65.00000  115.01300
   46    50    51    65.00000  115.01300
   50    33    34    35.00000  109.50000
   50    33    38    70.00000  110.12100
   50    46    47    65.00000  137.10300
   41    38    39    70.00000  117.34000
   41    45    48    65.00000  117.00000
   41    45    49    65.00000  117.00000
   45    41    42    85.00000  114.86500
   45    48    52    50.00000  134.85500
   45    48    67    80.00000  107.43600
   45    49    68    70.00000  108.00000
   45    49    54    55.00000  130.44200
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    67    65    85.00000  122.70000
   48    67    68   100.00000  108.43400
   52    57    58    35.00000  120.00000
   52    57    63    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    65    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    85.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    70.00000  124.10000
   67    48    52    85.00000  116.20000
   67    65    66    35.00000  120.00000
   67    68    49   110.00000  105.28000
   68    49    54    80.00000  116.10000
   49    45    48    80.00000  105.82900
   49    54    55    45.00000  110.47400
   49    54    56    45.00000  110.47400
   49    54    59    70.00000  113.44400
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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    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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    50    46   0.42700  1.0 1.0
   29    33    50    46  -0.70350 -1.0 2.0
   29    33    50    46  -0.43150  1.0 3.0
   29    33    50    51   0.09700  1.0 1.0
   29    33    50    51   0.15600 -1.0 2.0
   29    33    50    51  -0.50800  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    43  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    50    46   0.00000  1.0 1.0
   34    33    50    51   0.00000  1.0 1.0
   38    33    50    46  -0.28300  1.0 1.0
   38    33    50    46   0.26700 -1.0 2.0
   38    33    50    46  -0.63300  1.0 3.0
   38    33    50    51   0.09700  1.0 1.0
   38    33    50    51   0.15600 -1.0 2.0
   38    33    50    51  -0.50800  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    46   7.00000 -1.0 2.0
   38    41    45    48   0.15800  1.0 1.0
   38    41    45    48   1.85350 -1.0 2.0
   38    41    45    48  -0.48700  1.0 3.0
   38    41    45    49   0.15800  1.0 1.0
   38    41    45    49   1.85350 -1.0 2.0
   38    41    45    49  -0.48700  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    43    46    47   7.00000 -1.0 2.0
   39    43    46    50   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46   -50    33   7.00000 -1.0 2.0
   43    46    50    51   7.00000 -1.0 2.0
   44    43    46    47   7.00000 -1.0 2.0
   44    43    46    50   7.00000 -1.0 2.0
   47    46    50    33   7.00000 -1.0 2.0
   47    46    50    51   7.00000 -1.0 2.0
   50    33   -38    39  -0.28300  1.0 1.0
   50    33   -38    39   0.26700 -1.0 2.0
   50    33   -38    39  -0.63300  1.0 3.0
   50    33    38    41  -0.28300  1.0 1.0
   50    33    38    41   0.26700 -1.0 2.0
   50    33    38    41  -0.63300  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    43   0.28850  1.0 1.0
   41    38    39    43   2.61350 -1.0 2.0
   41    38    39    43   0.78400  1.0 3.0
   41    45    48    52   3.62500 -1.0 2.0
   41    45    48    67   3.62500 -1.0 2.0
   41    45    49    68   3.62500 -1.0 2.0
   41    45    49    54   3.62500 -1.0 2.0
   42    41    45    48  -0.01750  1.0 1.0
   42    41    45    48  -0.32000 -1.0 2.0
   42    41    45    48   0.00600  1.0 3.0
   42    41    45    49  -0.01750  1.0 1.0
   42    41    45    49  -0.32000 -1.0 2.0
   42    41    45    49   0.00600  1.0 3.0
   45    48    52    53   3.62500 -1.0 2.0
   45    48    52    57   3.62500 -1.0 2.0
   45    48    67    65   3.00000 -1.0 2.0
   45    48   -67    68   3.62500 -1.0 2.0
   45    49    54    55   0.00000  1.0 1.0
   45    49    54    56   0.00000  1.0 1.0
   45    49    54    59   0.04150 -1.0 2.0
   48    45   -49    68   3.62500 -1.0 2.0
   48    45    49    54   3.62500 -1.0 2.0
   48    52    57    58   3.62500 -1.0 2.0
   48    52    57    63   3.62500 -1.0 2.0
   48    67   -68    49   3.62500 -1.0 2.0
   52    48    67    65   3.00000 -1.0 2.0
   52    48    67    68   3.62500 -1.0 2.0
   52    57    63    64   3.62500 -1.0 2.0
   52    57   -63    65   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    63   3.62500 -1.0 2.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    67   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   63    65   -67    48   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    49   3.62500 -1.0 2.0
   66    65    67    48   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    48    52    53   3.50000 -1.0 2.0
   67    48   -52    57   3.50000 -1.0 2.0
   67    68   -49    45   3.62500 -1.0 2.0
   67    68    49    54   3.62500 -1.0 2.0
   68    49    54    55   0.00000  1.0 1.0
   68    49    54    56   0.00000  1.0 1.0
   68    49    54    59   0.38650  1.0 1.0
   68    49    54    59  -0.24750 -1.0 2.0
   68    49    54    59   0.76750  1.0 3.0
   49    45    48    52   3.62500 -1.0 2.0
   49    45   -48    67   3.50000 -1.0 2.0
   49    54    59    60   0.43200  1.0 3.0
   49    54    59    61   0.43200  1.0 3.0
   49    54    59    62   0.43200  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   38    40    39    43   1.10000 -1.0 2.0
   46    44    43    39   1.10000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   33    51    50    46   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    49    45    41   4.00000 -1.0 2.0
   52    67    48    45   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   63    58    57    52   1.10000 -1.0 2.0
   65    64    63    57   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    48   4.00000 -1.0 2.0
   68    54    49    45   4.00000 -1.0 2.0
END
