* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    214     404
    1     0 S   NP   _N1_     1    29.46452    96.80586   -26.13764
    2     1 S   H    _HN1     2     1.02805   131.85743  -112.00079
    3     1 S   H    _H1_     3     1.02944    73.75579   -11.62952
    4     1 S   H    _H2_     4     1.02824    35.82854  -169.56691
    5     1 S   CT   _CA1     5     1.50141   111.48018    94.38357
    6     5 S   HC   _HA1     6     1.09572   105.13407    97.77366
    7     5 S   CO3  _C1_     7     1.53747   112.50681   -22.43662
    8     7 S   O2Z  _O11     8     1.26381   115.00100   -41.73653
    9     7 S   O2Z  _O12     9     1.26231   114.94089   137.22063
   10     5 S   CT   _CB1    10     1.53039   107.39153  -144.23845
   11    10 S   HC   HB11    11     1.09852   109.29924   -48.89173
   12    10 S   HC   HB12    12     1.09810   110.48161    67.67417
   13    10 S   CT   _CG1    13     1.53069   112.70420  -169.79178
   14    13 S   HC   HG11    14     1.09551   110.85944   -69.24785
   15    13 S   HC   HG12    15     1.09658   109.61164    50.02280
   16    13 S   C    _CD1    16     1.51816   111.58318   170.63395
   17    16 S   O    _OE1    17     1.22788   122.98745    19.81531
   18    16 S   N    _N2_    18     1.38632   112.10926  -160.11644
   19    18 S   H    _HN2    19     1.01568   119.01199     0.39860
   20    18 S   CT1  _CA2    20     1.46196   123.28281   175.23844
   21    20 S   HC   _HA2    21     1.09737   109.27650    10.72681
   22    20 S   C    _C2_    22     1.53778   108.90161  -104.86853
   23    22 S   O    _O2_    23     1.23113   122.17879  -148.00646
   24    20 S   CT   _CB2    32     1.53296   111.79409   132.85045
   25    24 S   HC   HB21    33     1.09589   110.15072    56.74229
   26    24 S   HC   HB22    34     1.09428   109.72792   175.65567
   27    22 S   N    _N3_    24     1.38276   113.96030    39.38563
   28    27 S   H    _HN3    25     1.01518   119.66990    -2.70660
   29    24 S   S    _SG2    35     1.82561   111.84123   -64.30717
   30    27 S   CT   _CA3    26     1.45286   123.37628   177.46248
   31    30 S   HC   HA31    27     1.09544   107.47435   -66.06548
   32    30 S   HC   HA32    28     1.09553   108.05851    50.42362
   33    29 S   CT   _C7_    36     1.85225    99.45456   177.73186
   34    33 S   HC   _H5_    37     1.09688   106.68990   -42.15709
   35    30 S   CO3  _C3_    29     1.53006   113.98835   172.45467
   36    35 S   O2Z  _O31    30     1.26397   116.08462    -0.50629
   37    35 S   O2Z  _O32    31     1.26422   114.42115   179.55854
   38    33 S   CM   _C8_    38     1.52753   109.14323    77.60619
   39    38 S   CT   _C4_    39     1.51760   113.68732    74.29435
   40    39 S   HC   _H7_    40     1.09311   112.40494   170.54763
   41    39 S   HC   _H8_    41     1.09763   108.57224   -72.84169
   42    38 S   CM   _C9_    54     1.34662   119.76805  -108.09393
   43    42 S   HC   _H10    55     1.08608   118.75157     0.77050
   44    39 S   CT1  _C5_    42     1.53490   111.40063    49.31775
   45    44 S   HC   _H3_    43     1.09920   109.19083    67.54357
   46    42 S   CG   _C10    56     1.47797   124.19722   179.38229
   47    46 S   HC   _H11    57     1.09884   118.21459    -2.96319
   48    44 S   NT   _N4_    44     1.47515   111.30406   -53.49047
   49    48 S   H    _H9_    45     1.02294   109.05090   179.20451
   50    44 S   CO3  _C18    51     1.54636   113.83619  -173.35111
   51    50 S   O2Z  _O38    52     1.26325   116.49769     6.47181
   52    50 S   O2Z  _O37    53     1.26692   114.60325  -171.92012
   53    46 S   NIP  _N5_    58     1.27488   125.71908   177.60976
   54    33 S   CT1  _C6_    46     1.54253   112.98535  -160.47500
   55    54 S   HC   _H4_    47     1.10103   108.04360   175.15131
   56    53 S   CM   _C11    59     1.38077   130.97002    -0.83837
   57    56 S   HC   _H12    60     1.07855   125.19230     0.23656
   58    54 S   CO3  _C17    48     1.54982   116.57073    59.08796
   59    58 S   O2Z  _O36    49     1.26497   115.51787    21.92734
   60    58 S   O2Z  _O35    50     1.26578   115.82420  -161.33148
   61    56 S   CM   _C12    61     1.34986   107.34298  -178.77044
   62    61 S   NI   _N6_    62     1.40177   114.52780    -0.71710
   63    61 S   CT   _C14    65     1.49886   126.08573   179.19741
   64    63 S   HC   _H14    66     1.09794   108.10401   128.75825
   65    63 S   HC   _H15    67     1.09834   109.66327    13.55697
   66    53 S   CDX  _C13    63     1.55214   126.05435  -179.85463
   67    66 S   HC   _H13    64     1.09912   124.55076    -0.86071
   68    63 S   CT   _C15    68     1.53377   112.63049  -109.38693
   69    68 S   HC   _H6_    69     1.09590   111.47509   -54.26188
   70    68 S   CO3  _C16    70     1.53910   109.04899    67.85573
   71    70 S   O2Z  _O34    71     1.26357   114.94399    83.27160
   72    70 S   O2Z  _O33    72     1.26243   115.04151   -96.69042
   73    68 S   NP   _N7_    73     1.50114   107.83783  -169.26476
   74    73 S   H    _H16    74     1.02790   112.36206    57.23855
   75    73 S   H    _H17    75     1.02965   110.59324   -64.10357
   76    73 S   H    _H18    76     1.02866   110.61654   177.73048
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  15  13   6   5   8   3   9   6   8   3   9
   4   3   1   1   7   4   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    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    55    58    59    60    42    43    46  
   38    39    48    54    55    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    55    58    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    56    66    44    54  
   46    47    53  
   45    48    49    54    55    58    50    51    52  
   48    49    54    50    51    52  
   47    53    56    57    61    62    66    67  
   53    56    66  
   49    54    55    58    59    60    50    51    52  
   54    55    58    50  
   51    52    54  
   52  
    0  
   56    57    61    62    66    67    63  
   55    58    59    60  
   58    59    60  
   57    61    62    66    67    63    64    65    68  
   61    62    66    63  
   59    60  
   60  
    0  
   62    66    67    63    64    65    68    69    70    73  
   66    67    63    64    65    68  
   64    65    68    69    70    71    72    73    74    75    76    66  
   65    68    69    70    73  
   68    69    70    73  
   67  
    0  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   0.0300   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   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.380000   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   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   62   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   71   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   72   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   73   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   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
   76   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   268.000  1.529
   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   305.000  1.457
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   305.000  1.457
   54    55   340.000  1.090
   54    58   317.000  1.522
   58    59   656.000  1.250
   58    60   656.000  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    56   335.000  1.413
   53    66   335.000  1.413
   56    57   340.000  1.080
   56    61   549.000  1.340
   61    62   405.000  1.380
   61    63   317.000  1.510
   62    66   650.000  1.285
   66    67   370.000  1.091
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.522
   68    73   367.000  1.471
   70    71   656.000  1.250
   70    72   656.000  1.250
   73    74   434.000  1.010
   73    75   434.000  1.010
   73    76   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  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    80.00000  111.22000
   33    54    55    37.50000  110.70000
   33    54    58    63.00000  111.10000
   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  111.22000
   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    50.00000  111.55300
   44    48    54    51.80000  107.20000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  109.55000
   48    54    55    50.00000  109.55000
   48    54    58    75.00000  111.54000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    48    49    50.00000  111.55300
   54    58    59    70.00000  117.00000
   54    58    60    70.00000  117.00000
   58    54    55    35.00000  109.50000
   60    58    59    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  111.54000
   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    56    70.00000  118.46000
   46    53    66    70.00000  118.46000
   53    46    47    45.00000  118.03900
   53    56    57    45.00000  112.60000
   53    56    61    70.00000  113.56000
   53    66    62    75.00000  124.00000
   53    66    67    45.00000  112.60000
   56    61    62    70.00000  120.83400
   56    61    63    70.00000  124.00000
   61    56    57    35.00000  120.00000
   61    62    66    70.00000  116.49400
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    68    70.00000  112.02700
   62    66    67    45.00000  121.92500
   66    53    56    70.00000  121.00000
   63    61    62    65.00000  119.96000
   63    68    69    37.50000  110.70000
   63    68    70    70.00000  109.69300
   63    68    73    80.00000  111.20000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    70    71    70.00000  117.00000
   68    70    72    70.00000  117.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   70    68    69    35.00000  109.50000
   72    70    71    80.00000  126.00000
   73    68    69    35.00000  109.50000
   73    68    70    80.00000  109.26000
   75    73    74    35.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75    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   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    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   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    58  -2.17200  1.0 1.0
   29    33    54    58  -0.85700 -1.0 2.0
   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    58    59   0.00000  1.0 1.0
   33    54    58    60   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    58  -0.03800  1.0 3.0
   38    33    54    48   0.59950  1.0 1.0
   38    33    54    48  -0.21400 -1.0 2.0
   38    33    54    48   0.56200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    58  -0.98800  1.0 1.0
   38    33    54    58   0.48800 -1.0 2.0
   38    33    54    58   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.59950  1.0 1.0
   38    39   -44    48  -0.21400 -1.0 2.0
   38    39   -44    48   0.56200  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  -0.15950  1.0 1.0
   39    44    48    49   0.34650 -1.0 2.0
   39    44    48    49   0.05750  1.0 3.0
   39    44    48    54   0.23450  1.0 1.0
   39    44    48    54   0.02050 -1.0 2.0
   39    44    48    54   0.25250  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   0.15000  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   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   0.23450  1.0 1.0
   44    48   -54    33   0.02050 -1.0 2.0
   44    48   -54    33   0.25250  1.0 3.0
   44    48    54    55   0.28000  1.0 3.0
   44    48    54    58  -1.76800  1.0 1.0
   44    48    54    58   1.02600 -1.0 2.0
   44    48    54    58   0.19700  1.0 3.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    54   0.28000  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    54    58    59   0.30150 -1.0 2.0
   48    54    58    60   0.30150 -1.0 2.0
   49    48    54    33  -0.15950  1.0 1.0
   49    48    54    33   0.34650 -1.0 2.0
   49    48    54    33   0.05750  1.0 3.0
   49    48    54    55   0.20000  1.0 3.0
   49    48    54    58   0.21900  1.0 1.0
   49    48    54    58  -0.24900 -1.0 2.0
   49    48    54    58   0.15200  1.0 3.0
   54    33   -38    39   0.46850  1.0 1.0
   54    33   -38    39   0.08550 -1.0 2.0
   54    33   -38    39   0.09800  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   50    44    48    49   0.21900  1.0 1.0
   50    44    48    49  -0.24900 -1.0 2.0
   50    44    48    49   0.15200  1.0 3.0
   50    44    48    54  -1.76800  1.0 1.0
   50    44    48    54   1.02600 -1.0 2.0
   50    44    48    54   0.19700  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    56   2.00000 -1.0 2.0
   42    46    53    66   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    56    57   5.00000 -1.0 2.0
   46    53    56    61   5.00000 -1.0 2.0
   46    53    66    62   5.00000 -1.0 2.0
   46    53    66    67   5.00000 -1.0 2.0
   47    46    53    56   2.00000 -1.0 2.0
   47    46    53    66   2.00000 -1.0 2.0
   53    56   -61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   56    53   -66    62   5.00000 -1.0 2.0
   56    53    66    67   5.00000 -1.0 2.0
   56    61   -62    66   1.00000 -1.0 2.0
   56    61    63    64   0.00000  1.0 1.0
   56    61    63    65   0.00000  1.0 1.0
   56    61    63    68   0.09850  1.0 1.0
   56    61    63    68   0.15250 -1.0 2.0
   56    61    63    68  -0.50650  1.0 3.0
   57    56    61    62   7.00000 -1.0 2.0
   57    56    61    63   7.00000 -1.0 2.0
   61    62   -66    53   6.00000 -1.0 2.0
   61    62    66    67   4.00000 -1.0 2.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    70  -0.98800  1.0 1.0
   61    63    68    70   0.48800 -1.0 2.0
   61    63    68    70   0.76800  1.0 3.0
   61    63    68    73  -0.47300  1.0 1.0
   61    63    68    73   0.29700 -1.0 2.0
   61    63    68    73   0.83300  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    68   0.09700  1.0 1.0
   62    61    63    68   0.15600 -1.0 2.0
   62    61    63    68  -0.50800  1.0 3.0
   66    53    56    57   5.00000 -1.0 2.0
   66    53   -56    61   5.00000 -1.0 2.0
   63    61    62    66   1.00000 -1.0 2.0
   63    68    70    71   0.41150 -1.0 2.0
   63    68    70    72   0.41150 -1.0 2.0
   63    68    73    74   0.17350  1.0 3.0
   63    68    73    75   0.17350  1.0 3.0
   63    68    73    76   0.17350  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70  -0.11250  1.0 3.0
   64    63    68    73   0.19200  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70  -0.11250  1.0 3.0
   65    63    68    73   0.19200  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    73    74   0.13050  1.0 3.0
   69    68    73    75   0.13050  1.0 3.0
   69    68    73    76   0.13050  1.0 3.0
   70    68    73    74   0.17350  1.0 3.0
   70    68    73    75   0.17350  1.0 3.0
   70    68    73    76   0.17350  1.0 3.0
   73    68    70    71   0.30150 -1.0 2.0
   73    68    70    72   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
   59    54    58    60  10.50000 -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
   56    66    53    46   1.00000 -1.0 2.0
   53    57    56    61   1.10000 -1.0 2.0
   63    62    61    56   1.10000 -1.0 2.0
   53    67    66    62  10.50000 -1.0 2.0
   71    68    70    72  10.50000 -1.0 2.0
END
