* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    123    195     358
    1     0 S   NP   _N1_     1    28.79835    95.62322   -23.37020
    2     1 S   H    _HN1     2     1.02948    76.06388     9.22113
    3     1 S   H    _H1_     3     1.02828    34.13634   164.08851
    4     1 S   H    _H2_     4     1.02786   105.23322   -96.38022
    5     1 S   CT   _CA1     5     1.50112   136.71683   114.32497
    6     5 S   HC   _HA1     6     1.09573   105.19051    86.52496
    7     5 S   CO3  _C1_     7     1.53784   112.46342   -33.71104
    8     7 S   O2Z  _O11     8     1.26372   115.00810   -42.57900
    9     7 S   O2Z  _O12     9     1.26238   114.94556   136.54047
   10     5 S   CT   _CB1    10     1.53078   107.42201  -155.48965
   11    10 S   HC   HB11    11     1.09834   109.36734   -49.62954
   12    10 S   HC   HB12    12     1.09812   110.45467    66.97954
   13    10 S   CT   _CG1    13     1.52995   112.60692  -170.59443
   14    13 S   HC   HG11    14     1.09580   110.65383   -65.97229
   15    13 S   HC   HG12    15     1.09672   109.76188    53.25720
   16    13 S   C    _CD1    16     1.51806   112.19115   173.72415
   17    16 S   O    _OE1    17     1.22735   123.26897     8.15066
   18    16 S   N    _N2_    18     1.38642   111.67802  -171.92309
   19    18 S   H    _HN2    19     1.01587   118.98937     1.53417
   20    18 S   CT1  _CA2    20     1.46222   123.42424   177.41457
   21    20 S   HC   _HA2    21     1.09731   109.26595     5.40048
   22    20 S   C    _C2_    22     1.53651   109.30162  -110.22863
   23    22 S   O    _O2_    23     1.23085   122.10823  -153.53783
   24    20 S   CT   _CB2    32     1.53317   111.38561   127.34375
   25    24 S   HC   HB21    33     1.09222   109.51372    54.68438
   26    24 S   HC   HB22    34     1.09459   110.29421   174.40287
   27    22 S   N    _N3_    24     1.38252   114.02444    33.88308
   28    27 S   H    _HN3    25     1.01557   119.57507    -3.41994
   29    24 S   S    _SG2    35     1.82104   111.63855   -65.13596
   30    27 S   CT   _CA3    26     1.45275   123.25484   177.23898
   31    30 S   HC   HA31    27     1.09547   107.54011   -64.27692
   32    30 S   HC   HA32    28     1.09559   107.96457    52.17569
   33    29 S   CT   _C20    36     1.85639   100.16301  -172.18161
   34    33 S   HC   _H3_    37     1.09174   107.20020    45.66240
   35    30 S   CO3  _C3_    29     1.52963   114.03775   174.16746
   36    35 S   O2Z  _O31    30     1.26381   116.05939     0.07913
   37    35 S   O2Z  _O32    31     1.26423   114.41976  -179.86294
   38    33 S   CM   _C15    38     1.53606   110.45292   -76.48032
   39    38 S   CM   _C16    39     1.47388   113.13873   -78.75938
   40    39 S   HC   _H13    40     1.08698   117.60831   155.88177
   41    38 S   CMA  _C14    48     1.36579   126.47306   105.75205
   42    41 S   OM   _O34    49     1.26615   130.09724   178.06710
   43    39 S   CM   _C17    41     1.34697   121.89224   -26.97928
   44    43 S   Br   Br2_    42     1.87348   120.46478  -179.14248
   45    41 S   C5B  _C7_    50     1.44799   121.03456     2.54568
   46    43 S   CM   _C18    43     1.45743   120.01656    -1.28998
   47    45 S   C56B _C8_    51     1.43331   126.87197    67.19999
   48    45 S   C5A  _C6_    62     1.38868   127.05602  -114.57819
   49    33 S   CM   _C19    44     1.52036   106.55737   162.50489
   50    49 S   Br   Br1_    45     1.87175   115.85458   -88.82872
   51    46 S   OH   _O35    46     1.37869   116.45437  -163.56188
   52    51 S   HO   _H14    47     0.97323   107.53655   179.89165
   53    47 S   CA   _C9_    52     1.40923   135.96456     0.30132
   54    53 S   HA   _H9_    53     1.08599   120.93117     0.67551
   55    48 S   CT   _C5_    63     1.48647   134.52956    -0.84673
   56    55 S   HC   _H7_    64     1.09511   110.51142    16.45277
   57    55 S   HC   _H8_    65     1.09589   109.38482   133.68918
   58    53 S   CA   _C10    54     1.40113   118.93406  -179.13317
   59    58 S   HA   _H10    55     1.08706   119.41309   179.78878
   60    55 S   CT   _C4_    66     1.52061   111.64656  -105.14884
   61    60 S   HC   _H4_    67     1.09540   111.27263   -60.31940
   62    60 S   HC   _H5_    68     1.09460   110.24379   179.86012
   63    60 S   HC   _H6_    69     1.09518   111.29236    59.93378
   64    58 S   CA   _C11    56     1.39633   120.95586    -0.24945
   65    64 S   HA   _H11    57     1.08726   119.46953  -179.96044
   66    64 S   CA   _C12    58     1.39786   121.16953    -0.16071
   67    66 S   HA   _H12    59     1.08339   121.73297  -179.67314
   68    47 S   C56A _C13    60     1.38950   105.84051  -179.48111
   69    68 S   OA   _O33    61     1.35957   110.43277    -1.07847
  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   6   3  12   4  11  11
   3   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    49    50    51    41    42    45  
   38    39    46    49    50    41  
   36    37  
   37  
    0  
   39    40    43    44    46    49    50    41    42    45    47    48  
   40    43    44    46    49    51    41    42    45  
   43    44    46    41  
   42    45    47    53    68    69    48    55    43    49  
   45    47    48  
   44    46    49    50    51    52  
   46    49    51  
   47    53    54    58    66    68    69    48    55    56    57    60  
   49    50    51    52  
   53    54    58    59    64    66    67    68    69    48    55  
   55    56    57    60    61    62    63    53    66    68    69  
   50    51    52  
   51  
   52  
    0  
   54    58    59    64    65    66    68    69  
   58    59    64    68  
   56    57    60    61    62    63    68    69  
   57    60    61    62    63    69  
   60    61    62    63    69  
   59    64    65    66    67    68  
   64    65    66  
   61    62    63    69  
   62    63  
   63  
    0  
   65    66    67    68    69  
   66    67    68  
   67    68    69  
   68    69  
   69  
    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   0.179500   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   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   50   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.122800   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.149800   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   69   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    49   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   380.000  1.444
   46    49   549.000  1.340
   46    51   510.000  1.338
   49    50   165.000  1.979
   51    52   553.000  0.945
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    47   380.000  1.440
   45    48   520.000  1.370
   47    53   469.000  1.404
   47    68   447.000  1.419
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   425.000  1.380
   69    48   340.000  1.360
   48    55   295.000  1.489
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    49    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    49    46    70.00000  124.00000
   33    49    50    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  123.01800
   43    39    40    35.00000  120.00000
   43    46    49    70.00000  123.01800
   43    46    51    80.00000  121.38400
   46    43    44    65.00000  115.01300
   46    49    50    65.00000  115.01300
   46    51    52    70.00000  107.45700
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  110.12100
   51    46    49    80.00000  121.38400
   41    38    39    70.00000  117.34000
   41    45    47    65.00000  117.00000
   41    45    48    65.00000  117.00000
   45    41    42    85.00000  114.86500
   45    47    53    50.00000  134.85500
   45    47    68    80.00000  107.43600
   45    48    69    70.00000  108.00000
   45    48    55    55.00000  130.44200
   47    53    54    35.00000  120.00000
   47    53    58    63.00000  120.00000
   47    68    66    85.00000  122.70000
   47    68    69   100.00000  108.43400
   53    58    59    35.00000  120.00000
   53    58    64    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    66    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    85.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    70.00000  124.10000
   68    47    53    85.00000  116.20000
   68    66    67    35.00000  120.00000
   68    69    48   110.00000  105.28000
   69    48    55    80.00000  116.10000
   48    45    47    80.00000  105.82900
   48    55    56    45.00000  110.47400
   48    55    57    45.00000  110.47400
   48    55    60    70.00000  113.44400
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   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    49    46   0.42700  1.0 1.0
   29    33    49    46  -0.70350 -1.0 2.0
   29    33    49    46  -0.43150  1.0 3.0
   29    33    49    50   0.09700  1.0 1.0
   29    33    49    50   0.15600 -1.0 2.0
   29    33    49    50  -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    49    46   0.00000  1.0 1.0
   34    33    49    50   0.00000  1.0 1.0
   38    33    49    46  -0.28300  1.0 1.0
   38    33    49    46   0.26700 -1.0 2.0
   38    33    49    46  -0.63300  1.0 3.0
   38    33    49    50   0.09700  1.0 1.0
   38    33    49    50   0.15600 -1.0 2.0
   38    33    49    50  -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    47   0.15800  1.0 1.0
   38    41    45    47   1.85350 -1.0 2.0
   38    41    45    47  -0.48700  1.0 3.0
   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
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    43    46    49   0.28850  1.0 1.0
   39    43    46    49   2.61350 -1.0 2.0
   39    43    46    49   0.78400  1.0 3.0
   39    43    46    51   0.50950  1.0 1.0
   39    43    46    51   0.56650 -1.0 2.0
   39    43    46    51   0.34050  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46   -49    33   7.00000 -1.0 2.0
   43    46    49    50   7.00000 -1.0 2.0
   43    46    51    52  -0.66100  1.0 1.0
   43    46    51    52   1.20850 -1.0 2.0
   43    46    51    52  -0.36000  1.0 3.0
   44    43    46    49  -0.18600  1.0 3.0
   44    43    46    51   1.08500 -1.0 2.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    41  -0.28300  1.0 1.0
   49    33    38    41   0.26700 -1.0 2.0
   49    33    38    41  -0.63300  1.0 3.0
   49    46    51    52  -0.66100  1.0 1.0
   49    46    51    52   1.20850 -1.0 2.0
   49    46    51    52  -0.36000  1.0 3.0
   51    46    49    33   7.00000 -1.0 2.0
   51    46    49    50   7.00000 -1.0 2.0
   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    47    53   3.62500 -1.0 2.0
   41    45    47    68   3.62500 -1.0 2.0
   41    45    48    69   3.62500 -1.0 2.0
   41    45    48    55   3.62500 -1.0 2.0
   42    41    45    47  -0.01750  1.0 1.0
   42    41    45    47  -0.32000 -1.0 2.0
   42    41    45    47   0.00600  1.0 3.0
   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
   45    47    53    54   3.62500 -1.0 2.0
   45    47    53    58   3.62500 -1.0 2.0
   45    47    68    66   3.00000 -1.0 2.0
   45    47   -68    69   3.62500 -1.0 2.0
   45    48    55    56   0.00000  1.0 1.0
   45    48    55    57   0.00000  1.0 1.0
   45    48    55    60   0.04150 -1.0 2.0
   47    45   -48    69   3.62500 -1.0 2.0
   47    45    48    55   3.62500 -1.0 2.0
   47    53    58    59   3.62500 -1.0 2.0
   47    53    58    64   3.62500 -1.0 2.0
   47    68   -69    48   3.62500 -1.0 2.0
   53    47    68    66   3.00000 -1.0 2.0
   53    47    68    69   3.62500 -1.0 2.0
   53    58    64    65   3.62500 -1.0 2.0
   53    58   -64    66   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    64   3.62500 -1.0 2.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    68   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   64    66   -68    47   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    48   3.62500 -1.0 2.0
   67    66    68    47   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   68    47    53    54   3.50000 -1.0 2.0
   68    47   -53    58   3.50000 -1.0 2.0
   68    69   -48    45   3.62500 -1.0 2.0
   68    69    48    55   3.62500 -1.0 2.0
   69    48    55    56   0.00000  1.0 1.0
   69    48    55    57   0.00000  1.0 1.0
   69    48    55    60   0.38650  1.0 1.0
   69    48    55    60  -0.24750 -1.0 2.0
   69    48    55    60   0.76750  1.0 3.0
   48    45    47    53   3.62500 -1.0 2.0
   48    45   -47    68   3.50000 -1.0 2.0
   48    55    60    61   0.43200  1.0 3.0
   48    55    60    62   0.43200  1.0 3.0
   48    55    60    63   0.43200  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    63   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    51    46    49   1.10000 -1.0 2.0
   33    50    49    46   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   53    68    47    45   4.00000 -1.0 2.0
   58    54    53    47   1.10000 -1.0 2.0
   64    59    58    53   1.10000 -1.0 2.0
   66    65    64    58   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    69    68    47   4.00000 -1.0 2.0
   69    55    48    45   4.00000 -1.0 2.0
END
