* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    126    189     369
    1     0 S   NP   _N1_     1    28.62098    98.44920   -20.51907
    2     1 S   H    _HN1     2     1.02930    65.66161   -40.07485
    3     1 S   H    _H1_     3     1.02838    44.39268   118.11441
    4     1 S   H    _H2_     4     1.02775   106.54889  -143.10412
    5     1 S   CT   _CA1     5     1.50159   139.80506    53.44336
    6     5 S   HC   _HA1     6     1.09589   105.16561   102.37652
    7     5 S   CO3  _C1_     7     1.53949   111.65809   -17.48576
    8     7 S   O2Z  _O11     8     1.26379   115.07706   -57.91607
    9     7 S   O2Z  _O12     9     1.26219   114.97344   120.31266
   10     5 S   CT   _CB1    10     1.53176   107.29490  -139.99552
   11    10 S   HC   HB11    11     1.09827   109.79670   -48.38076
   12    10 S   HC   HB12    12     1.09775   110.52704    68.39208
   13    10 S   CT   _CG1    13     1.52886   112.09070  -169.02020
   14    13 S   HC   HG11    14     1.09488   110.40546   -62.29709
   15    13 S   HC   HG12    15     1.09610   109.53971    56.78852
   16    13 S   C    _CD1    16     1.51783   112.25597   178.23254
   17    16 S   O    _OE1    17     1.22798   123.03402    21.00060
   18    16 S   N    _N2_    18     1.38536   112.11150  -160.54072
   19    18 S   H    _HN2    19     1.01533   118.95148     6.49513
   20    18 S   CT1  _CA2    20     1.45741   122.77170  -179.42870
   21    20 S   HC   _HA2    21     1.09728   108.59745    30.36264
   22    20 S   C    _C2_    22     1.52953   107.20111   -86.85855
   23    22 S   O    _O2_    23     1.22962   123.06873   -27.95625
   24    20 S   CT   _CB2    32     1.53236   112.53635   153.47741
   25    24 S   HC   HB21    33     1.09466   110.41500    58.92777
   26    24 S   HC   HB22    34     1.09564   110.12786   176.26918
   27    22 S   N    _N3_    24     1.38502   112.53178   154.89530
   28    27 S   H    _HN3    25     1.01648   120.38207    -2.41622
   29    24 S   S    _SG2    35     1.82898   111.84986   -64.96127
   30    27 S   CT   _CA3    26     1.45360   122.49226   178.58307
   31    30 S   HC   HA31    27     1.09568   107.83729   -55.36491
   32    30 S   HC   HA32    28     1.09563   107.59157    60.98157
   33    29 S   CT   _C11    36     1.85989   100.26561   126.96110
   34    33 S   HC   _H4_    37     1.09824   105.90585    44.72746
   35    30 S   CO3  _C3_    29     1.52899   114.29553  -177.27617
   36    35 S   O2Z  _O31    30     1.26339   116.04585     0.30901
   37    35 S   O2Z  _O32    31     1.26435   114.42426  -179.73980
   38    33 S   CA   _C12    38     1.52146   109.67144   -73.45480
   39    33 S   CT   _C9_    52     1.55809   110.72710   161.76037
   40    39 S   HC   _H3_    53     1.09322   108.58036    59.82894
   41    38 S   CA   _C13    39     1.39600   120.12513   113.49050
   42    41 S   HA   _H15    40     1.08799   120.07731     0.89329
   43    39 S   CZ   _C10    54     1.47914   111.02116   -60.75683
   44    43 S   NZ   _N5_    55     1.16054   179.61134   173.27293
   45    39 S   C    _C8_    56     1.53750   110.65727  -179.17576
   46    45 S   O    _O33    57     1.23640   119.66198    34.69938
   47    41 S   CA   _C14    41     1.40667   119.77935  -178.70005
   48    45 S   N    _N4_    58     1.39993   117.99808  -147.04535
   49    47 S   CA   _C15    42     1.41506   125.17578    -0.15195
   50    49 S   OM   _O35    43     1.27980   124.94588   179.26858
   51    47 S   NO2  _N6_    49     1.45019   115.35565   179.21068
   52    51 S   ON   _O37    50     1.23821   116.99341    90.82238
   53    51 S   ON   _O36    51     1.23838   116.87108   -87.31870
   54    48 S   CT   _C5_    59     1.46691   118.23707   177.53598
   55    54 S   HC   _H8_    60     1.09519   109.10995  -147.84027
   56    54 S   HC   _H9_    61     1.09585   109.22369   -31.05999
   57    48 S   CT   _C6_    66     1.46962   125.46216    -4.33590
   58    57 S   HC   _H10    67     1.09584   108.42961  -143.24843
   59    57 S   HC   _H11    68     1.09256   110.30646   -27.20664
   60    49 S   CA   _C16    44     1.41292   112.20264    -0.51662
   61    54 S   CT   _C4_    62     1.52080   111.75237    89.70061
   62    61 S   HC   _H5_    63     1.09489   111.10448   -59.42716
   63    61 S   HC   _H6_    64     1.09461   111.21326    60.52147
   64    61 S   HC   _H7_    65     1.09428   110.30756  -179.44786
   65    57 S   CT   _C7_    69     1.52057   111.95922    95.38165
   66    65 S   HC   _H12    70     1.09338   111.38933   -59.55411
   67    65 S   HC   _H13    71     1.09460   111.22542    60.43908
   68    65 S   HC   _H14    72     1.09431   110.25781  -179.68847
   69    38 S   CA   _C17    45     1.39764   122.10590   -65.96536
   70    69 S   HA   _H16    46     1.08729   120.58012     0.02798
   71    60 S   OH   _O34    47     1.37901   120.04151   179.58741
   72    71 S   HO   _H17    48     0.97657   106.62846    -6.66680
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  13  10   5  10   4   4   1  10   3   8  14
   9   4   3   1   1  10   6   5   7   5   4   4   3   2   1   1
   3   2   1   1   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    69    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    60    69    70    39    40    43    44    45    46    48  
   38    41    69    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    49    60    69    70    71    51    39    40    43    45  
   40    43    44    45    46    48    54    57    41    69  
   43    44    45    46    48  
   42    47    49    50    60    69    70    51    52    53  
   47    49    69    51  
   44    45    46    48  
   45  
   46    48    54    55    56    61    57    58    59    65  
   48    54    57  
   49    50    60    69    71    51    52    53  
   54    55    56    61    62    63    64    57    58    59    65    66    67    68  
   50    60    69    70    71    72    51    52    53  
   60    69    71    51  
   52    53    60  
   53  
    0  
   55    56    61    62    63    64    57    58    59    65  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    65    66    67    68    61  
   59    65    66    67    68  
   65    66    67    68  
   69    70    71    72  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72  
   71  
   72  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.3000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   44   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   51   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   52   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   54   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    69   469.000  1.400
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    49   469.000  1.400
   47    51   400.000  1.460
   49    50   450.000  1.364
   49    60   469.000  1.400
   60    69   469.000  1.400
   60    71   450.000  1.364
   69    70   367.000  1.080
   71    72   553.000  0.945
   51    52   550.000  1.225
   51    53   550.000  1.225
   39    40   340.000  1.090
   39    43   390.000  1.470
   39    45   317.000  1.522
   43    44   650.000  1.157
   45    46   570.000  1.229
   45    48   490.000  1.335
   48    54   337.000  1.449
   48    57   337.000  1.449
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    69    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    69    60    63.00000  120.00000
   38    69    70    35.00000  120.00000
   41    47    49    63.00000  120.00000
   41    47    51    85.00000  120.00000
   47    41    42    35.00000  120.00000
   47    49    50    70.00000  120.00000
   47    49    60    63.00000  120.00000
   47    51    52    80.00000  117.50000
   47    51    53    80.00000  117.50000
   49    60    69    63.00000  120.00000
   49    60    71    70.00000  120.00000
   60    49    50    70.00000  120.00000
   60    69    70    35.00000  120.00000
   60    71    72    35.00000  113.00000
   69    38    41    63.00000  120.00000
   71    60    69    70.00000  120.00000
   51    47    49    85.00000  120.00000
   53    51    52    80.00000  125.30000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44   150.00000  180.00000
   39    45    46    80.00000  120.40000
   39    45    48    70.00000  116.60000
   43    39    40    35.00000  108.50000
   45    39    40    35.00000  109.50000
   45    39    43    70.00000  111.78000
   45    48    54    50.00000  121.90000
   45    48    57    50.00000  121.90000
   48    45    46    80.00000  122.90000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    61    70.00000  110.72300
   48    57    58    35.00000  109.50000
   48    57    59    35.00000  109.50000
   48    57    65    70.00000  110.72300
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   57    48    54    50.00000  118.00000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    69  -0.16000  1.0 1.0
   29    33    38    69  -0.03200 -1.0 2.0
   29    33    38    69   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    69    60   3.62500 -1.0 2.0
   33    38    69    70   3.62500 -1.0 2.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    48   1.39750  1.0 1.0
   33    39    45    48  -0.07950 -1.0 2.0
   33    39    45    48  -0.18750  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    69   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    45   0.56750  1.0 1.0
   38    33    39    45  -0.07550 -1.0 2.0
   38    33    39    45   0.20000  1.0 3.0
   38    41    47    49   3.62500 -1.0 2.0
   38    41    47    51   3.62500 -1.0 2.0
   41    38    69    60   3.62500 -1.0 2.0
   41    38    69    70   3.62500 -1.0 2.0
   41    47    49    50   3.62500 -1.0 2.0
   41    47   -49    60   3.62500 -1.0 2.0
   41    47    51    52   0.69950 -1.0 2.0
   41    47    51    53   0.69950 -1.0 2.0
   42    41    47    49   3.62500 -1.0 2.0
   42    41    47    51   3.62500 -1.0 2.0
   47    49    60    69   3.62500 -1.0 2.0
   47    49    60    71   3.62500 -1.0 2.0
   49    47    51    52   0.69950 -1.0 2.0
   49    47    51    53   0.69950 -1.0 2.0
   49    60   -69    38   3.62500 -1.0 2.0
   49    60    69    70   3.62500 -1.0 2.0
   49    60    71    72   0.84100 -1.0 2.0
   50    49    60    69   3.62500 -1.0 2.0
   50    49    60    71   3.62500 -1.0 2.0
   69    38    41    42   3.62500 -1.0 2.0
   69    38   -41    47   3.62500 -1.0 2.0
   69    60    71    72   0.84100 -1.0 2.0
   71    60    69    38   3.62500 -1.0 2.0
   71    60    69    70   3.62500 -1.0 2.0
   51    47    49    50   3.62500 -1.0 2.0
   51    47    49    60   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    69   0.04150 -1.0 2.0
   39    45    48    54   1.49850  1.0 1.0
   39    45    48    54   1.53950 -1.0 2.0
   39    45    48    57   1.49850  1.0 1.0
   39    45    48    57   1.53950 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    48   0.00000  1.0 1.0
   43    39    45    46   0.30150 -1.0 2.0
   43    39    45    48   0.00000  1.0 1.0
   45    39    43    44   0.00000  1.0 1.0
   45    48    54    55   0.00000  1.0 1.0
   45    48    54    56   0.00000  1.0 1.0
   45    48    54    61  -0.43950  1.0 1.0
   45    48    54    61  -0.08100 -1.0 2.0
   45    48    54    61   0.03350  1.0 3.0
   45    48    57    58   0.00000  1.0 1.0
   45    48    57    59   0.00000  1.0 1.0
   45    48    57    65  -0.43950  1.0 1.0
   45    48    57    65  -0.08100 -1.0 2.0
   45    48    57    65   0.03350  1.0 3.0
   46    45    48    54   3.04450 -1.0 2.0
   46    45    48    57   3.04450 -1.0 2.0
   48    54    61    62   0.15000  1.0 3.0
   48    54    61    63   0.15000  1.0 3.0
   48    54    61    64   0.15000  1.0 3.0
   48    57    65    66   0.15000  1.0 3.0
   48    57    65    67   0.15000  1.0 3.0
   48    57    65    68   0.15000  1.0 3.0
   54    48    57    58   0.00000  1.0 1.0
   54    48    57    59   0.00000  1.0 1.0
   54    48    57    65  -0.05900 -1.0 2.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   57    48    54    55   0.00000  1.0 1.0
   57    48    54    56   0.00000  1.0 1.0
   57    48    54    61  -0.05900 -1.0 2.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    68   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    68   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    69    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   49    51    47    41   4.00000 -1.0 2.0
   60    50    49    47   4.00000 -1.0 2.0
   69    71    60    49   4.00000 -1.0 2.0
   60    70    69    38   1.10000 -1.0 2.0
   52    47    51    53  10.50000 -1.0 2.0
   39    48    45    46  10.50000 -1.0 2.0
   57    45    48    54   1.00000 -1.0 2.0
END
