* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    131    199     372
    1     0 S   NP   _N1_     1    29.01793    95.52184   -20.38691
    2     1 S   H    _HN1     2     1.02835    35.63091   164.22799
    3     1 S   H    _H1_     3     1.02781    87.20023   -69.23649
    4     1 S   H    _H2_     4     1.02954    87.21975    39.27916
    5     1 S   CT   _CA1     5     1.50129   146.37198   163.19188
    6     5 S   HC   _HA1     6     1.09581   105.20864    59.83087
    7     5 S   CO3  _C1_     7     1.53813   112.20700   -60.29612
    8     7 S   O2Z  _O11     8     1.26355   114.91918   -46.54038
    9     7 S   O2Z  _O12     9     1.26239   114.93717   132.31266
   10     5 S   CT   _CB1    10     1.53108   107.38772   177.67855
   11    10 S   HC   HB11    11     1.09815   109.32987   -49.76252
   12    10 S   HC   HB12    12     1.09805   110.58803    66.89776
   13    10 S   CT   _CG1    13     1.52909   112.44388  -170.77391
   14    13 S   HC   HG11    14     1.09527   110.41890   -63.08398
   15    13 S   HC   HG12    15     1.09565   109.74739    56.05572
   16    13 S   C    _CD1    16     1.51756   112.47440   175.56072
   17    16 S   O    _OE1    17     1.22737   123.16417    -9.74828
   18    16 S   N    _N2_    18     1.38571   111.72091   171.38204
   19    18 S   H    _HN2    19     1.01747   119.09259    -0.50552
   20    18 S   CT1  _CA2    20     1.46277   123.51446   177.66569
   21    20 S   HC   _HA2    21     1.09728   109.25674   -16.04637
   22    20 S   C    _C2_    22     1.53473   108.02848  -131.48307
   23    22 S   O    _O2_    23     1.23028   122.40943  -149.59295
   24    20 S   CT   _CB2    32     1.53415   111.60830   106.39413
   25    24 S   HC   HB21    33     1.09571   109.42784    53.71705
   26    24 S   HC   HB22    34     1.09488   110.84320   172.30645
   27    22 S   N    _N3_    24     1.38399   113.43186    37.92935
   28    27 S   H    _HN3    25     1.01644   119.42754    -3.87530
   29    24 S   S    _SG2    35     1.82975   111.69133   -68.24314
   30    27 S   CT   _CA3    26     1.45248   123.18960   177.82534
   31    30 S   HC   HA31    27     1.09547   107.62105   -62.62101
   32    30 S   HC   HA32    28     1.09561   107.83613    53.79146
   33    29 S   CT   _C5_    36     1.83284    99.62892   147.43303
   34    33 S   HC   _H3_    37     1.09542   109.24976   -39.66103
   35    30 S   CO3  _C3_    29     1.52939   114.12586   175.73079
   36    35 S   O2Z  _O31    30     1.26367   116.08972     1.77575
   37    35 S   O2Z  _O32    31     1.26439   114.41430  -178.27116
   38    33 S   C4T  _C6_    38     1.53095   108.02665  -159.06933
   39    38 S   HC   _H4_    39     1.09993   112.40656   -62.77506
   40    33 S   CT   _C4_    68     1.52520   109.18735    80.23972
   41    40 S   HC   _H6_    69     1.09611   111.82296    62.39024
   42    40 S   HC   _H7_    70     1.09530   111.65666   -59.31455
   43    40 S   HC   _H8_    71     1.09489   110.74495  -178.38105
   44    38 S   C4   _C11    40     1.56009   114.73692   169.30577
   45    44 S   O    _O33    41     1.21040   135.90626    57.90401
   46    38 S   C4T  _C7_    48     1.57891   118.70978    70.86821
   47    46 S   HC   _H5_    49     1.09895   112.21625  -136.46502
   48    44 S   N4   _N4_    42     1.36016    91.22742  -115.96243
   49    48 S   CM   _C10    43     1.37142   125.14067   117.96605
   50    49 S   CM   _C9_    44     1.33936   110.80672  -115.10734
   51    49 S   CO3  _C12    65     1.53511   122.10766    59.96183
   52    51 S   O2Z  _O35    66     1.26412   115.61983  -116.81373
   53    51 S   O2Z  _O34    67     1.26497   114.75847    62.14529
   54    50 S   CT   _C8_    45     1.50402   111.12336     0.10087
   55    54 S   HC   _H9_    46     1.09097   111.69645   120.40790
   56    54 S   HC   _H10    47     1.09558   110.46976  -118.44557
   57    50 S   S    _S1_    50     1.71753   127.58894   176.29023
   58    57 S   CT   _C13    51     1.82440    99.05064   -95.51525
   59    58 S   HC   _H11    52     1.09477   108.25457    64.56051
   60    58 S   HC   _H12    53     1.09504   109.55019   -52.87704
   61    58 S   CT   _C14    54     1.52495   111.58589  -175.40637
   62    61 S   HC   _H13    55     1.09547   111.75639   -50.79142
   63    61 S   HC   _H14    56     1.09632   108.85010  -169.34255
   64    61 S   N    _N5_    57     1.45284   113.24519    71.22844
   65    64 S   H    _H15    58     1.01608   118.00506   -99.70430
   66    64 S   C    _C15    59     1.38330   122.50688    79.64018
   67    66 S   O    _O36    60     1.22852   125.25431    -4.00438
   68    66 S   CT   _C16    61     1.50422   112.79950   174.68732
   69    68 S   HC   _H16    62     1.09261   110.77616    43.95336
   70    68 S   HC   _H17    63     1.09325   109.57139   163.73725
   71    68 S   HC   _H18    64     1.09330   109.29812   -76.60559
  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
  13   8   2   1   1  15   7   5   2   1   1   8   3   9   6   9
   9  11   4   1   1   4   2   1   7   8   5   4   7   4   3   7
   3   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    48    54    46    47    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    48    49    50    54    55    56    46    47    40    41    42    43  
   44    45    48    54    46    47    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    48    49    50    54    46    47    51  
   48    49    46  
   47    57    51    48    49    50    54    55    56  
   48    49    50    54    55    56  
   49    50    54    55    56    57    51    52    53  
   50    54    55    56    57    58    51    52    53  
   54    55    56    57    58    59    60    61    51    52    53  
   52    53    54    57  
   53  
    0  
   55    56    57    58  
   56    57  
   57  
   58    59    60    61    62    63    64  
   59    60    61    62    63    64    65    66  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67    68  
   63    64    65    66  
   64    65    66  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   0.166300   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  -0.154800   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   58   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   65   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   340.000  1.090
   33    38   260.000  1.519
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   250.000  1.540
   38    46   268.000  1.529
   44    45   930.000  1.212
   44    48   440.000  1.369
   48    49   400.000  1.384
   48    46   305.000  1.456
   49    50   549.000  1.340
   49    51   230.000  1.545
   50    54   317.000  1.510
   50    57   240.000  1.763
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    46   260.000  1.519
   46    47   340.000  1.090
   57    58   222.000  1.810
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   337.000  1.449
   64    65   434.000  1.010
   64    66   490.000  1.335
   66    67   570.000  1.229
   66    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   51    52   656.000  1.250
   51    53   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    45.00000  112.72800
   33    38    44    63.00000  111.10000
   33    38    46    65.00000  119.52000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    45.00000  111.22300
   38    44    45    60.00000  136.58000
   38    44    48    95.00000   92.72400
   38    46    48   105.00000   87.49700
   38    46    54    65.00000  119.52000
   38    46    47    37.50000  110.70000
   44    38    39    40.00000  113.37500
   44    48    49    50.00000  132.10000
   44    48    46   100.00000   93.00000
   48    44    45    75.00000  131.60000
   48    49    50    75.00000  120.83300
   48    49    51    80.00000  114.48000
   48    46    54    80.00000  110.05700
   48    46    47    50.00000  112.01000
   49    50    54    70.00000  124.00000
   49    50    57    65.00000  122.11800
   49    51    52    85.00000  113.83300
   49    51    53    85.00000  113.83300
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    46    70.00000  112.02700
   50    57    58    85.00000  102.41200
   54    46    47    45.00000  112.72800
   56    54    55    33.00000  107.80000
   46    38    39    37.50000  110.70000
   46    38    44   100.00000   86.36000
   46    48    49    50.00000  132.70000
   46    54    55    45.00000  111.22300
   46    54    56    45.00000  111.22300
   57    50    54    65.00000  117.37300
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    75.00000  111.63000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    70.00000  110.72300
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    38.00000  118.40000
   61    64    66    50.00000  121.90000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    66    67    80.00000  122.90000
   64    66    68    70.00000  116.60000
   66    64    65    35.00000  119.80000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    35.00000  109.50000
   68    66    67    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   51    49    50    55.00000  124.75400
   53    51    52    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.98000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    48   1.39750  1.0 1.0
   33    38    44    48  -0.07950 -1.0 2.0
   33    38    44    48  -0.18750  1.0 3.0
   33    38   -46    48   0.43900  1.0 1.0
   33    38   -46    48   0.49100 -1.0 2.0
   33    38   -46    48   0.28400  1.0 3.0
   33    38    46    54   0.56750  1.0 1.0
   33    38    46    54  -0.07550 -1.0 2.0
   33    38    46    54   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    48    49   3.00000 -1.0 2.0
   38    44   -48    46   3.00000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   39    38   -46    48   0.15000  1.0 3.0
   39    38    46    54   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   44    38   -46    48   3.00000 -1.0 2.0
   44    38    46    54  -0.95700  1.0 1.0
   44    38    46    54  -0.18200 -1.0 2.0
   44    38    46    54   0.29450  1.0 3.0
   44    38    46    47   0.15000  1.0 3.0
   44    48    49    50   0.00000  1.0 1.0
   44    48    49    51   0.00000  1.0 1.0
   44    48   -46    38   0.00000  1.0 1.0
   44    48   -46    54   0.00000  1.0 1.0
   44    48   -46    47   0.00000  1.0 1.0
   45    44    48    49   3.00000 -1.0 2.0
   45    44    48    46   3.00000 -1.0 2.0
   48    49   -50    54   7.00000 -1.0 2.0
   48    49    50    57   7.00000 -1.0 2.0
   48    49    51    52   1.91650 -1.0 2.0
   48    49    51    53   1.91650 -1.0 2.0
   49    48   -46    38   0.00000  1.0 1.0
   49    48   -46    54   0.00000  1.0 1.0
   49    48    46    47   0.00000  1.0 1.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.00000  1.0 1.0
   49    50   -54    46   0.09850  1.0 1.0
   49    50   -54    46   0.15250 -1.0 2.0
   49    50   -54    46  -0.50650  1.0 3.0
   49    50    57    58   1.00000 -1.0 2.0
   50    49    51    52  -0.04000 -1.0 2.0
   50    49    51    52  -0.29050  1.0 3.0
   50    49    51    53  -0.04000 -1.0 2.0
   50    49    51    53  -0.29050  1.0 3.0
   50    54    46    38   0.34400  1.0 1.0
   50    54    46    38   0.09450 -1.0 2.0
   50    54    46    38   0.11100  1.0 3.0
   50    54   -46    48   0.21700  1.0 1.0
   50    54   -46    48   0.68550 -1.0 2.0
   50    54   -46    48  -0.27950  1.0 3.0
   50    54    46    47   0.15000  1.0 3.0
   50    57    58    59   0.24000  1.0 3.0
   50    57    58    60   0.24000  1.0 3.0
   50    57    58    61   0.00000  1.0 1.0
   54    50    57    58   1.00000 -1.0 2.0
   55    54    46    38   0.00000  1.0 1.0
   55    54    46    48   0.15000  1.0 3.0
   55    54    46    47   0.15000  1.0 3.0
   56    54    46    38   0.00000  1.0 1.0
   56    54    46    48   0.15000  1.0 3.0
   56    54    46    47   0.15000  1.0 3.0
   46    38   -44    45  -0.11250  1.0 1.0
   46    38   -44    45   0.11400 -1.0 2.0
   46    38   -44    45  -0.28950  1.0 3.0
   46    38   -44    48   3.00000 -1.0 2.0
   46    48   -49    50   0.00000  1.0 1.0
   46    48    49    51   0.00000  1.0 1.0
   57    50    54    55   0.00000  1.0 1.0
   57    50    54    56   0.00000  1.0 1.0
   57    50    54    46   0.09700  1.0 1.0
   57    50    54    46   0.15600 -1.0 2.0
   57    50    54    46  -0.50800  1.0 3.0
   57    58    61    62   0.15000  1.0 3.0
   57    58    61    63   0.15000  1.0 3.0
   57    58    61    64   0.56750  1.0 1.0
   57    58    61    64  -0.07550 -1.0 2.0
   57    58    61    64   0.20000  1.0 3.0
   58    61    64    65   0.00000  1.0 1.0
   58    61    64    66  -0.43950  1.0 1.0
   58    61    64    66  -0.08100 -1.0 2.0
   58    61    64    66   0.03350  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    66    67   3.04450 -1.0 2.0
   61    64    66    68   1.49850  1.0 1.0
   61    64    66    68   1.53950 -1.0 2.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    66   0.00000  1.0 1.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    66   0.00000  1.0 1.0
   64    66    68    69   0.00000  1.0 1.0
   64    66    68    70   0.00000  1.0 1.0
   64    66    68    71   0.00000  1.0 1.0
   65    64    66    67   2.45000 -1.0 2.0
   65    64    66    68   2.45000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    68    71   0.00000  1.0 1.0
   51    49    50    54   7.00000 -1.0 2.0
   51    49    50    57   7.00000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.04050  1.0 1.0
   40    33    38    46   0.63700 -1.0 2.0
   40    33    38    46   0.17650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    48    44    45  10.50000 -1.0 2.0
   46    44    48    49   1.00000 -1.0 2.0
   48    51    49    50   1.10000 -1.0 2.0
   54    57    50    49   1.10000 -1.0 2.0
   65    66    64    61   1.00000 -1.0 2.0
   64    68    66    67  10.50000 -1.0 2.0
   52    49    51    53  10.50000 -1.0 2.0
END
