* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    123    179     362
    1     0 S   NP   _N1_     1    28.70773    95.27443   -21.14872
    2     1 S   H    _HN1     2     1.02765    87.32168  -124.32552
    3     1 S   H    _H1_     3     1.02952    85.14052   -15.55643
    4     1 S   H    _H2_     4     1.02830    37.31224   110.85978
    5     1 S   CT   _CA1     5     1.50149   147.88936   105.79390
    6     5 S   HC   _HA1     6     1.09551   105.25723    62.57466
    7     5 S   CO3  _C1_     7     1.54068   112.58595   -57.78467
    8     7 S   O2Z  _O11     8     1.26405   114.91969   -33.51505
    9     7 S   O2Z  _O12     9     1.26277   115.16964   145.84660
   10     5 S   CT   _CB1    10     1.53173   107.45823  -178.96864
   11    10 S   HC   HB11    11     1.09804   110.08696   -45.01453
   12    10 S   HC   HB12    12     1.09816   110.08821    71.86464
   13    10 S   CT   _CG1    13     1.52837   112.23905  -165.86594
   14    13 S   HC   HG11    14     1.09489   110.23885   -55.99819
   15    13 S   HC   HG12    15     1.09627   110.07772    63.11946
   16    13 S   C    _CD1    16     1.51634   112.85354  -175.58527
   17    16 S   O    _OE1    17     1.22679   123.55801    -3.94387
   18    16 S   N    _N2_    18     1.38457   111.21160   175.37594
   19    18 S   H    _HN2    19     1.02070   118.57416     3.84227
   20    18 S   CT1  _CA2    20     1.46103   124.08321  -171.31529
   21    20 S   HC   _HA2    21     1.09746   109.09657    12.01240
   22    20 S   C    _C2_    22     1.53356   109.34619  -104.46690
   23    22 S   O    _O2_    23     1.23071   122.16768  -139.90337
   24    20 S   CT   _CB2    32     1.53583   110.48884   133.08728
   25    24 S   HC   HB21    33     1.09341   109.29683    62.48849
   26    24 S   HC   HB22    34     1.09514   110.56455  -179.05685
   27    22 S   N    _N3_    24     1.38486   113.67609    47.33011
   28    27 S   H    _HN3    25     1.01478   119.09712     0.42058
   29    24 S   S    _SG2    35     1.82896   111.06017   -59.03153
   30    27 S   CT   _CA3    26     1.45440   123.21100   175.78132
   31    30 S   HC   HA31    27     1.09541   108.99047    29.14715
   32    30 S   HC   HA32    28     1.09494   107.16672   146.05453
   33    29 S   CT   _C6_    36     1.84848   100.40467   162.73868
   34    33 S   HC   _H5_    37     1.09675   105.99695    48.51335
   35    30 S   CO3  _C3_    29     1.52941   113.33421   -94.20695
   36    35 S   O2Z  _O31    30     1.26394   115.49090   -44.31295
   37    35 S   O2Z  _O32    31     1.26383   114.95844   136.70588
   38    33 S   CT   _C5_    38     1.54461   108.73069   165.16125
   39    38 S   HC   _H4_    39     1.09753   110.16513    58.01644
   40    38 S   CT   _C4_    40     1.53985   111.44565   179.45824
   41    40 S   HC   _H3_    41     1.09517   108.59838  -177.69149
   42    38 S   OH   _O45    68     1.43176   110.04549   -60.06397
   43    42 S   HO   _H12    69     0.97220   107.35343  -176.73038
   44    40 S   CT   _C9_    42     1.53407   111.36825   -55.85807
   45    44 S   HC   _H8_    43     1.09465   109.19121   175.13023
   46    40 S   OH   _O46    66     1.42951   109.07259    66.70814
   47    46 S   HO   _H13    67     0.97538   108.20648  -162.49358
   48    44 S   CT   _C8_    44     1.54197   111.79572    54.48916
   49    48 S   HC   _H7_    45     1.09572   108.62030  -173.63678
   50    44 S   OS   _O33    60     1.42622   109.09646   -66.05554
   51    33 S   CT   _C7_    46     1.54976   111.98053   -71.56337
   52    51 S   HC   _H6_    47     1.09579   109.02398    65.18925
   53    48 S   OS   _O37    54     1.42848   111.74599    66.44589
   54    50 S   P2   _P1_    61     1.62918   119.37348   -96.21299
   55    54 S   O2Z  _O36    62     1.51097   109.51619   -67.35144
   56    54 S   O2Z  _O34    63     1.51149   109.47285    67.78640
   57    51 S   OS   _O41    48     1.42966   110.18991   -54.40310
   58    53 S   P2   _P2_    55     1.62892   120.70368    68.54496
   59    58 S   O2Z  _O40    56     1.51015   110.12827    51.38736
   60    58 S   O2Z  _O38    57     1.51224   109.08115   -84.38266
   61    54 S   OS   _O35    64     1.63031    98.12483  -179.48871
   62    61 S   HO   _H9_    65     0.97909   115.94611    75.87009
   63    57 S   P2   _P3_    49     1.63288   118.63601   139.56120
   64    63 S   O2Z  _O44    50     1.51083   109.98852    64.51881
   65    63 S   O2Z  _O42    51     1.51275   109.12226   -69.82980
   66    58 S   OS   _O39    58     1.63101    98.27766   163.90880
   67    66 S   HO   _H10    59     0.97841   116.12537   175.98200
   68    63 S   OS   _O43    52     1.62942    98.90120   177.67064
   69    68 S   HO   _H11    53     0.98205   117.79328    87.77935
  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  10   5   4   3
  16   8   2   1   1  14   7  13   7   4   1  15   7   3   1  12
   6   7   8   3   6   4   3   2   5   4   3   2   1   1   4   3
   2   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    52    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    52    57    63    53    46    42    43  
   38    39    40    48    51    52    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    51    52    57    50    46    47    42    43  
   40    41    44    51    46    42    43  
   41    44    45    48    49    51    53    50    54    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    51  
    0  
   45    48    49    51    52    57    53    58    50    54    55    56    61    46    47  
   48    49    51    53    50    54    46  
   47    48    50  
    0  
   49    51    52    57    63    53    58    59    60    66    50    54  
   51    52    57    53    58    50  
   54    55    56    61    62    51    53  
   52    57    63    64    65    68    53    58  
   57    63    53  
   58    59    60    66    67    57  
   55    56    61    62  
   56    61    62  
   61    62  
   63    64    65    68    69  
   59    60    66    67  
   60    66    67  
   66    67  
   62  
    0  
   64    65    68    69  
   65    68    69  
   68    69  
   67  
    0  
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    57   320.000  1.410
   57    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    68   230.000  1.697
   68    69   553.000  0.945
   53    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    66   230.000  1.697
   66    67   553.000  0.945
   50    54   230.000  1.697
   54    55   525.000  1.480
   54    56   525.000  1.480
   54    61   230.000  1.697
   61    62   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
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  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    51    58.35000  112.70000
   44    48    53    50.00000  109.50000
   44    50    54   100.00000  120.50000
   48    44    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    50.00000  109.50000
   48    53    58   100.00000  120.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    57    63   100.00000  120.50000
   57    51    52    35.00000  109.50000
   57    63    64   100.00000  108.23000
   57    63    65   100.00000  108.23000
   57    63    68    45.00000  102.60000
   63    68    69    45.00000  108.50000
   65    63    64   140.00000  119.90000
   68    63    64   100.00000  108.23000
   68    63    65   100.00000  108.23000
   53    48    49    35.00000  109.50000
   53    48    51    50.00000  109.50000
   53    58    59   100.00000  108.23000
   53    58    60   100.00000  108.23000
   53    58    66    45.00000  102.60000
   58    66    67    45.00000  108.50000
   60    58    59   140.00000  119.90000
   66    58    59   100.00000  108.23000
   66    58    60   100.00000  108.23000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   50    54    55   100.00000  108.23000
   50    54    56   100.00000  108.23000
   50    54    61    45.00000  102.60000
   54    61    62    45.00000  108.50000
   56    54    55   140.00000  119.90000
   61    54    55   100.00000  108.23000
   61    54    56   100.00000  108.23000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  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   0.01700  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    57   0.56750  1.0 1.0
   29    33    51    57  -0.07550 -1.0 2.0
   29    33    51    57   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    51    57    63  -2.65550  1.0 1.0
   33    51    57    63  -0.22350 -1.0 2.0
   33    51    57    63   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    57   0.23400  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    57   0.62750  1.0 1.0
   38    33    51    57  -0.30950 -1.0 2.0
   38    33    51    57   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.62750  1.0 1.0
   38    40    44    50  -0.30950 -1.0 2.0
   38    40    44    50   0.27300  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    51   0.56750  1.0 1.0
   40    44    48    51  -0.07550 -1.0 2.0
   40    44    48    51   0.20000  1.0 3.0
   40    44    48    53   0.62750  1.0 1.0
   40    44    48    53  -0.30950 -1.0 2.0
   40    44    48    53   0.27300  1.0 3.0
   40    44    50    54  -2.65550  1.0 1.0
   40    44    50    54  -0.22350 -1.0 2.0
   40    44    50    54   0.24150  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -51    33   0.56750  1.0 1.0
   44    48   -51    33  -0.07550 -1.0 2.0
   44    48   -51    33   0.20000  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    57   0.62750  1.0 1.0
   44    48    51    57  -0.30950 -1.0 2.0
   44    48    51    57   0.27300  1.0 3.0
   44    48    53    58  -2.65550  1.0 1.0
   44    48    53    58  -0.22350 -1.0 2.0
   44    48    53    58   0.24150  1.0 3.0
   44    50    54    55   0.00000  1.0 1.0
   44    50    54    56   0.00000  1.0 1.0
   44    50    54    61   0.05050  1.0 1.0
   44    50    54    61  -1.30700 -1.0 2.0
   44    50    54    61   0.91550  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   45    44    50    54   0.03000  1.0 3.0
   48    44    50    54  -2.65550  1.0 1.0
   48    44    50    54  -0.22350 -1.0 2.0
   48    44    50    54   0.24150  1.0 3.0
   48    51    57    63  -2.65550  1.0 1.0
   48    51    57    63  -0.22350 -1.0 2.0
   48    51    57    63   0.24150  1.0 3.0
   48    53    58    59   0.00000  1.0 1.0
   48    53    58    60   0.00000  1.0 1.0
   48    53    58    66   0.05050  1.0 1.0
   48    53    58    66  -1.30700 -1.0 2.0
   48    53    58    66   0.91550  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    57   0.23400  1.0 3.0
   49    48    53    58   0.03000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    48    53    58  -2.65550  1.0 1.0
   51    48    53    58  -0.22350 -1.0 2.0
   51    48    53    58   0.24150  1.0 3.0
   51    57    63    64   0.00000  1.0 1.0
   51    57    63    65   0.00000  1.0 1.0
   51    57    63    68   0.05050  1.0 1.0
   51    57    63    68  -1.30700 -1.0 2.0
   51    57    63    68   0.91550  1.0 3.0
   52    51    57    63   0.03000  1.0 3.0
   57    63    68    69   0.00000  1.0 1.0
   64    63    68    69   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   53    48    51    33   0.62750  1.0 1.0
   53    48    51    33  -0.30950 -1.0 2.0
   53    48    51    33   0.27300  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    57   1.11900  1.0 1.0
   53    48    51    57  -1.16350 -1.0 2.0
   53    48    51    57  -0.34150  1.0 3.0
   53    58    66    67   0.00000  1.0 1.0
   59    58    66    67   0.00000  1.0 1.0
   60    58    66    67   0.00000  1.0 1.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    51   0.62750  1.0 1.0
   50    44    48    51  -0.30950 -1.0 2.0
   50    44    48    51   0.27300  1.0 3.0
   50    44    48    53   1.11900  1.0 1.0
   50    44    48    53  -1.16350 -1.0 2.0
   50    44    48    53  -0.34150  1.0 3.0
   50    54    61    62   0.00000  1.0 1.0
   55    54    61    62   0.00000  1.0 1.0
   56    54    61    62   0.00000  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.69350  1.0 1.0
   46    40    44    50  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
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
END
