* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    137    197     395
    1     0 S   NP   _N1_     1    28.17701    96.14971   -24.85842
    2     1 S   H    _HN1     2     1.02957    81.49872    -4.83270
    3     1 S   H    _H1_     3     1.02836    26.09830   163.54213
    4     1 S   H    _H2_     4     1.02777   112.31620  -111.23344
    5     1 S   CT   _CA1     5     1.50128   126.56164   104.31184
    6     5 S   HC   _HA1     6     1.09575   105.21951    83.05472
    7     5 S   CO3  _C1_     7     1.53789   112.32606   -37.14212
    8     7 S   O2Z  _O11     8     1.26366   115.00096   -44.79001
    9     7 S   O2Z  _O12     9     1.26233   114.93051   134.27783
   10     5 S   CT   _CB1    10     1.53093   107.41783  -159.04825
   11    10 S   HC   HB11    11     1.09827   109.34375   -50.50700
   12    10 S   HC   HB12    12     1.09816   110.42967    66.04958
   13    10 S   CT   _CG1    13     1.53019   112.66332  -171.56998
   14    13 S   HC   HG11    14     1.09595   110.49180   -64.12989
   15    13 S   HC   HG12    15     1.09656   109.92234    55.07033
   16    13 S   C    _CD1    16     1.51842   112.29566   175.44637
   17    16 S   O    _OE1    17     1.22757   123.27354     0.34321
   18    16 S   N    _N2_    18     1.38533   111.71495  -179.68102
   19    18 S   H    _HN2    19     1.01560   119.11271     4.28130
   20    18 S   CT1  _CA2    20     1.45826   122.92730   178.26889
   21    20 S   HC   _HA2    21     1.09746   108.86752    24.16496
   22    20 S   C    _C2_    22     1.52934   107.21697   -92.72479
   23    22 S   O    _O2_    23     1.22974   123.12137   -25.69242
   24    20 S   CT   _CB2    32     1.53193   112.21030   147.19246
   25    24 S   HC   HB21    33     1.09582   110.07731    53.42228
   26    24 S   HC   HB22    34     1.09428   109.87546   172.07970
   27    22 S   N    _N3_    24     1.38537   112.49858   156.81276
   28    27 S   H    _HN3    25     1.01657   120.31229    -1.66742
   29    24 S   S    _SG2    35     1.83452   110.60542   -66.98464
   30    27 S   CT   _CA3    26     1.45330   122.50721   178.54330
   31    30 S   HC   HA31    27     1.09567   107.72283   -57.35256
   32    30 S   HC   HA32    28     1.09563   107.68640    58.96843
   33    29 S   CT   _C11    36     1.91294   101.06088  -166.09795
   34    33 S   OM   _O33    37     1.31938   104.86549   -58.89949
   35    30 S   CO3  _C3_    29     1.52892   114.34465  -179.22570
   36    35 S   O2Z  _O31    30     1.26335   116.09938    -1.13866
   37    35 S   O2Z  _O32    31     1.26448   114.39669   178.89182
   38    33 S   NT   _N4_    38     1.51270   113.80994    63.01317
   39    33 S   S    _S1_    62     1.89811   105.00493  -174.60926
   40    38 S   CT   _C5_    39     1.48493   115.60828    35.72715
   41    40 S   HC   _H7_    40     1.09461   109.26410  -159.62599
   42    40 S   HC   _H8_    41     1.09278   111.78951   -49.42598
   43    38 S   CT   _C6_    46     1.51468   118.27805   172.85600
   44    43 S   HC   _H3_    47     1.09744   107.52754   -74.23870
   45    39 S   CT   _C12    63     1.82947   102.65036    68.76920
   46    45 S   HC   _H19    64     1.09550   109.82709    65.98731
   47    45 S   HC   _H20    65     1.09443   110.79992   -52.61162
   48    40 S   CT   _C4_    42     1.52556   117.83801    76.50279
   49    48 S   HC   _H4_    43     1.09220   111.97818   -67.28266
   50    48 S   HC   _H5_    44     1.09311   112.41833    55.85192
   51    48 S   HC   _H6_    45     1.09582   109.34201   174.51588
   52    43 S   CT   _C7_    48     1.54696   115.64385    42.94958
   53    52 S   HC   _H9_    49     1.09451   111.88262    58.25174
   54    52 S   HC   _H10    50     1.09355   111.76467   178.81684
   55    52 S   HC   _H11    51     1.09314   112.26415   -64.67109
   56    43 S   CT   _C8_    52     1.57846   112.73964   169.10910
   57    56 S   HC   _H12    53     1.09533   108.58700    59.36534
   58    45 S   CA   _C13    66     1.50857   110.69580  -173.58516
   59    56 S   CT   _C9_    54     1.53615   113.41887   174.29838
   60    59 S   HC   _H13    55     1.09421   112.37208    74.82483
   61    59 S   HC   _H14    56     1.09607   110.09432  -166.17819
   62    59 S   HC   _H15    57     1.09477   110.97236   -47.22035
   63    56 S   CT   _C10    58     1.53316   113.05556   -60.28450
   64    63 S   HC   _H16    59     1.09449   111.67734   -65.54411
   65    63 S   HC   _H17    60     1.09407   111.72351    55.65519
   66    63 S   HC   _H18    61     1.09566   110.35803   174.99430
   67    58 S   CA   _C14    67     1.40222   120.55414   -89.08594
   68    67 S   HA   _H21    68     1.08731   120.29851    -0.63674
   69    67 S   CA   _C15    69     1.39580   120.44959   179.24593
   70    69 S   HA   _H22    70     1.08620   119.92472   179.92598
   71    69 S   CA   _C16    71     1.39377   120.07537    -0.20936
   72    71 S   HA   _H23    72     1.08610   120.01875  -179.94065
   73    71 S   CA   _C17    73     1.39374   119.96292    -0.10835
   74    73 S   HA   _H24    74     1.08621   120.01281  -179.78150
   75    58 S   CA   _C18    75     1.40231   120.44884    89.61172
   76    75 S   HA   _H25    76     1.08739   120.29668     0.66146
  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   7   5   4   3
  15   5   2   1   1  19   8  10   6   5  16   8   9   4   3   3
   2   1   1   7   3   2   1   9   8   9   7   3   2   1   3   2
   1   1   8   4   6   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    43    39    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    48    43    44    52    56    39    45    46    47    58  
   38    40    43    39    45  
   36    37  
   37  
    0  
   40    41    42    48    49    50    51    43    44    52    53    54    55    56    57    59    63    39    45  
   45    46    47    58    67    75    40    43  
   41    42    48    49    50    51    43    44    52    56  
   42    48    49    50    51    43  
   48    49    50    51    43  
   44    52    53    54    55    56    57    59    60    61    62    63    64    65    66    48  
   52    53    54    55    56    57    59    63  
   46    47    58    67    68    69    73    75    76  
   47    58    67    75  
   58    67    75  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    59    63  
   54    55    56  
   55    56  
   56  
   57    59    60    61    62    63    64    65    66  
   59    60    61    62    63    64    65    66  
   67    68    69    70    71    73    74    75    76  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    75    76  
   69    70    71    75  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76  
   73    74    75  
   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  -0.175000   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   4.2000   0.3000   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.162500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   570.000  1.307
   33    38   382.000  1.448
   33    39   222.000  1.810
   38    40   382.000  1.448
   38    43   382.000  1.448
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   43    44   340.000  1.090
   43    52   268.000  1.529
   43    56   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    63   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    58   317.000  1.510
   58    67   469.000  1.400
   58    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
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    85.00000  114.68000
   29    33    38    85.00000  109.00000
   29    33    39    75.00000  118.28000
   33    38    40    51.80000  107.20000
   33    38    43    51.80000  107.20000
   33    39    45    62.00000   98.90000
   38    33    34   110.00000  105.70000
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    48    56.20000  109.47000
   38    43    44    35.00000  109.50000
   38    43    52    56.20000  109.47000
   38    43    56    56.20000  109.47000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    51    37.50000  110.70000
   42    40    41    33.00000  107.80000
   48    40    41    37.50000  110.70000
   48    40    42    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   43    38    40    51.80000  107.20000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    55    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    59    58.35000  112.70000
   43    56    63    58.35000  112.70000
   52    43    44    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    43    44    37.50000  110.70000
   56    43    52    58.35000  112.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   59    56    57    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
   63    56    57    37.50000  110.70000
   63    56    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    34    85.00000  114.68000
   39    33    38    85.00000  109.00000
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    58    80.00000  109.48900
   45    58    67    70.00000  120.00000
   45    58    75    70.00000  120.00000
   47    45    46    33.00000  107.80000
   58    45    46    35.00000  109.50000
   58    45    47    35.00000  109.50000
   58    67    68    35.00000  120.00000
   58    67    69    63.00000  120.00000
   58    75    73    63.00000  120.00000
   58    75    76    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   75    58    67    63.00000  120.00000
   75    73    74    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    40   0.23200  1.0 1.0
   29    33    38    40   0.02100 -1.0 2.0
   29    33    38    40   0.24950  1.0 3.0
   29    33    38    43   0.23200  1.0 1.0
   29    33    38    43   0.02100 -1.0 2.0
   29    33    38    43   0.24950  1.0 3.0
   29    33    39    45   0.08500  1.0 1.0
   29    33    39    45  -0.53150 -1.0 2.0
   29    33    39    45   0.48050  1.0 3.0
   33    38    40    41   0.28000  1.0 3.0
   33    38    40    42   0.28000  1.0 3.0
   33    38    40    48   0.23450  1.0 1.0
   33    38    40    48   0.02050 -1.0 2.0
   33    38    40    48   0.25250  1.0 3.0
   33    38    43    44   0.28000  1.0 3.0
   33    38    43    52   0.23450  1.0 1.0
   33    38    43    52   0.02050 -1.0 2.0
   33    38    43    52   0.25250  1.0 3.0
   33    38    43    56   0.23450  1.0 1.0
   33    38    43    56   0.02050 -1.0 2.0
   33    38    43    56   0.25250  1.0 3.0
   33    39    45    46   0.32350  1.0 3.0
   33    39    45    47   0.32350  1.0 3.0
   33    39    45    58  -0.23050  1.0 1.0
   33    39    45    58   0.06200 -1.0 2.0
   33    39    45    58   0.47200  1.0 3.0
   34    33    38    40   0.23200  1.0 1.0
   34    33    38    40   0.02100 -1.0 2.0
   34    33    38    40   0.24950  1.0 3.0
   34    33    38    43   0.23200  1.0 1.0
   34    33    38    43   0.02100 -1.0 2.0
   34    33    38    43   0.24950  1.0 3.0
   34    33    39    45   0.13850  1.0 1.0
   34    33    39    45  -1.34450 -1.0 2.0
   34    33    39    45   0.57400  1.0 3.0
   38    33    39    45   0.01700  1.0 1.0
   38    33    39    45  -0.23550 -1.0 2.0
   38    33    39    45   0.21350  1.0 3.0
   38    40    48    49   0.15000  1.0 3.0
   38    40    48    50   0.15000  1.0 3.0
   38    40    48    51   0.15000  1.0 3.0
   38    43    52    53   0.15000  1.0 3.0
   38    43    52    54   0.15000  1.0 3.0
   38    43    52    55   0.15000  1.0 3.0
   38    43    56    57   0.15000  1.0 3.0
   38    43    56    59   1.53400  1.0 1.0
   38    43    56    59  -0.09950 -1.0 2.0
   38    43    56    59   0.05700  1.0 3.0
   38    43    56    63   1.53400  1.0 1.0
   38    43    56    63  -0.09950 -1.0 2.0
   38    43    56    63   0.05700  1.0 3.0
   40    38    43    44   0.28000  1.0 3.0
   40    38    43    52   0.23450  1.0 1.0
   40    38    43    52   0.02050 -1.0 2.0
   40    38    43    52   0.25250  1.0 3.0
   40    38    43    56   0.23450  1.0 1.0
   40    38    43    56   0.02050 -1.0 2.0
   40    38    43    56   0.25250  1.0 3.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    51   0.15000  1.0 3.0
   42    40    48    49   0.15000  1.0 3.0
   42    40    48    50   0.15000  1.0 3.0
   42    40    48    51   0.15000  1.0 3.0
   43    38    40    41   0.28000  1.0 3.0
   43    38    40    42   0.28000  1.0 3.0
   43    38    40    48   0.23450  1.0 1.0
   43    38    40    48   0.02050 -1.0 2.0
   43    38    40    48   0.25250  1.0 3.0
   43    56    59    60   0.15000  1.0 3.0
   43    56    59    61   0.15000  1.0 3.0
   43    56    59    62   0.15000  1.0 3.0
   43    56    63    64   0.15000  1.0 3.0
   43    56    63    65   0.15000  1.0 3.0
   43    56    63    66   0.15000  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   44    43    52    55   0.15000  1.0 3.0
   44    43    56    57   0.15000  1.0 3.0
   44    43    56    59   0.15000  1.0 3.0
   44    43    56    63   0.15000  1.0 3.0
   52    43    56    57   0.15000  1.0 3.0
   52    43    56    59   0.56750  1.0 1.0
   52    43    56    59  -0.07550 -1.0 2.0
   52    43    56    59   0.20000  1.0 3.0
   52    43    56    63   0.56750  1.0 1.0
   52    43    56    63  -0.07550 -1.0 2.0
   52    43    56    63   0.20000  1.0 3.0
   56    43    52    53   0.15000  1.0 3.0
   56    43    52    54   0.15000  1.0 3.0
   56    43    52    55   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   59    56    63    64   0.15000  1.0 3.0
   59    56    63    65   0.15000  1.0 3.0
   59    56    63    66   0.15000  1.0 3.0
   63    56    59    60   0.15000  1.0 3.0
   63    56    59    61   0.15000  1.0 3.0
   63    56    59    62   0.15000  1.0 3.0
   39    33    38    40   0.23200  1.0 1.0
   39    33    38    40   0.02100 -1.0 2.0
   39    33    38    40   0.24950  1.0 3.0
   39    33    38    43   0.23200  1.0 1.0
   39    33    38    43   0.02100 -1.0 2.0
   39    33    38    43   0.24950  1.0 3.0
   39    45    58    67  -0.16000  1.0 1.0
   39    45    58    67  -0.03200 -1.0 2.0
   39    45    58    67   0.04500  1.0 3.0
   39    45    58    75  -0.16000  1.0 1.0
   39    45    58    75  -0.03200 -1.0 2.0
   39    45    58    75   0.04500  1.0 3.0
   45    58    67    68   3.62500 -1.0 2.0
   45    58    67    69   3.62500 -1.0 2.0
   45    58    75    73   3.62500 -1.0 2.0
   45    58    75    76   3.62500 -1.0 2.0
   46    45    58    67   0.00000  1.0 1.0
   46    45    58    75   0.00000  1.0 1.0
   47    45    58    67   0.00000  1.0 1.0
   47    45    58    75   0.00000  1.0 1.0
   58    67    69    70   3.62500 -1.0 2.0
   58    67    69    71   3.62500 -1.0 2.0
   67    58    75    73   3.62500 -1.0 2.0
   67    58    75    76   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73   -75    58   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   74    73    75    58   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    58    67    68   3.62500 -1.0 2.0
   75    58   -67    69   3.62500 -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
   67    75    58    45   4.00000 -1.0 2.0
   69    68    67    58   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    58   1.10000 -1.0 2.0
END
