* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    135    212     392
    1     0 S   NP   _N1_     1    28.92333    96.91561   -19.46058
    2     1 S   H    _HN1     2     1.02808    75.29654   -69.58374
    3     1 S   H    _H1_     3     1.02952    86.82724    40.14836
    4     1 S   H    _H2_     4     1.02852    46.59998   157.44940
    5     1 S   CT   _CA1     5     1.50055   156.22688   178.70396
    6     5 S   HC   _HA1     6     1.09586   105.25824    42.90201
    7     5 S   CO3  _C1_     7     1.53687   112.37299   -77.26402
    8     7 S   O2Z  _O11     8     1.26358   115.22971   -50.80168
    9     7 S   O2Z  _O12     9     1.26279   114.92050   128.79284
   10     5 S   CT   _CB1    10     1.53107   107.46858   160.56650
   11    10 S   HC   HB11    11     1.09818   109.16481   -52.90549
   12    10 S   HC   HB12    12     1.09825   110.52532    63.56389
   13    10 S   CT   _CG1    13     1.53037   112.69192  -174.13716
   14    13 S   HC   HG11    14     1.09583   110.30705   -63.66969
   15    13 S   HC   HG12    15     1.09637   110.13458    55.50006
   16    13 S   C    _CD1    16     1.51812   112.20683   175.60274
   17    16 S   O    _OE1    17     1.22723   123.13878    -9.57107
   18    16 S   N    _N2_    18     1.38592   111.73951   171.14113
   19    18 S   H    _HN2    19     1.01564   119.12863     0.51205
   20    18 S   CT1  _CA2    20     1.46293   123.38957   179.88986
   21    20 S   HC   _HA2    21     1.09743   109.27802   -16.06932
   22    20 S   C    _C2_    22     1.53465   108.11239  -131.55645
   23    22 S   O    _O2_    23     1.22991   122.33133  -145.89317
   24    20 S   CT   _CB2    32     1.53507   111.57144   106.19085
   25    24 S   HC   HB21    33     1.09436   109.62630    54.92245
   26    24 S   HC   HB22    34     1.09492   110.03856   173.35902
   27    22 S   N    _N3_    24     1.38542   113.29570    41.45171
   28    27 S   H    _HN3    25     1.01527   118.91166    -0.41164
   29    24 S   S    _SG2    35     1.83058   111.43141   -67.91215
   30    27 S   CT   _CA3    26     1.45461   123.52612   175.21783
   31    30 S   HC   HA31    27     1.09515   109.34805    21.96912
   32    30 S   HC   HA32    28     1.09497   107.08198   139.00029
   33    29 S   CT   _C9_    36     1.87279   101.98920   152.30813
   34    30 S   CO3  _C3_    29     1.52922   113.08693  -101.58622
   35    34 S   O2Z  _O31    30     1.26405   115.40341   -43.75383
   36    34 S   O2Z  _O32    31     1.26353   114.97900   137.19173
   37    33 S   CT   _C8_    37     1.56373   107.39611   168.64377
   38    37 S   HC   _H10    38     1.09791   110.19075   151.62281
   39    37 S   HC   _H11    39     1.09577   113.98208    31.53929
   40    33 S   S    _S1_    60     1.85641   108.78757   -70.26585
   41    37 S   C4T  _C7_    40     1.53715   106.84663   -91.71009
   42    41 S   HC   _H5_    41     1.09708   112.15657  -130.84552
   43    40 S   CT   _C13    61     1.82791   101.97335   -64.27139
   44    43 S   HC   _H12    62     1.09376   109.26544    68.50397
   45    43 S   HC   _H13    63     1.09282   110.02152   -51.13772
   46    41 S   C4T  _C6_    42     1.55824   124.27539    85.01257
   47    46 S   HC   _H4_    43     1.09792   112.90992    10.13570
   48    41 S   N4   _N4_    46     1.47369   103.22012   -10.59500
   49    43 S   CT   _C14    64     1.52537   110.48853  -171.01049
   50    49 S   HC   _H14    65     1.09510   109.15184   178.71169
   51    49 S   HC   _H15    66     1.09557   111.54752    58.99767
   52    46 S   C4   _C11    44     1.54552    85.39399  -102.01886
   53    52 S   O    _O33    45     1.21035   135.80345   171.85987
   54    33 S   CT1  _C10    47     1.55931   111.89219    55.81019
   55    54 S   HC   _H6_    48     1.09467   112.20828   -31.55390
   56    46 S   CT   _C5_    52     1.52254   116.23399   141.50154
   57    56 S   HC   _H3_    53     1.09593   111.06412    49.72452
   58    49 S   NG   _N5_    67     1.47135   110.19480   -61.78560
   59    58 S   H    _H16    68     1.01625   119.82348    17.63272
   60    54 S   CO3  _C12    49     1.54529   116.40985  -156.89869
   61    60 S   O2Z  _O35    50     1.26341   116.28683   -59.59033
   62    60 S   O2Z  _O34    51     1.26512   114.42183   120.58983
   63    56 S   CT   _C4_    54     1.52174   110.83203   172.39468
   64    63 S   HC   _H7_    55     1.09582   110.97577    59.02188
   65    63 S   HC   _H8_    56     1.09390   111.60127   -61.83885
   66    63 S   HC   _H9_    57     1.09524   110.53924   177.30180
   67    56 S   OH   _O36    58     1.42557   107.95296   -68.45758
   68    67 S   HO   _H20    59     0.97255   107.52607   179.30818
   69    58 S   CG   _C15    69     1.32553   123.40627  -163.65314
   70    69 S   HC   _H17    70     1.07835   115.75258  -179.79064
   71    69 S   NG   _N6_    71     1.32133   128.52508     0.42658
   72    71 S   H    _H18    72     1.01361   120.21184   178.64983
   73    71 S   H    _H19    73     1.01247   121.23911     1.56648
  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  11   5   4   3
  18   2   1   1  14   7   6  12  13   6   9   5   4  13   7   8
   7   4   3   8   2   4   3   7   6   6   3   2   1   1   5   3
   2   1   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    54    55    60    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    46    52    48    54    55    60    61    62    40    43    44    45    49  
   35    36  
   36  
    0  
   38    39    41    42    46    47    52    48    54    55    60    56    40    43  
   39    41    42    46    48    54    40  
   41    42    46    48    54    40  
   43    44    45    49    50    51    58    41    48    54    55    60  
   42    46    47    52    53    48    54    55    60    56    57    63    67  
   46    47    52    48    54    56  
   44    45    49    50    51    58    59    69    54  
   45    49    50    51    58  
   49    50    51    58  
   47    52    53    48    54    56    57    63    64    65    66    67    68  
   52    53    48    56    57    63    67  
   54    55    60    61    62    56    52    53  
   50    51    58    59    69    70    71  
   51    58    59    69  
   58    59    69  
   53    54    55    60    56    57    63    67  
   54    56  
   55    60    61    62  
   60    61    62  
   57    63    64    65    66    67    68  
   63    64    65    66    67    68  
   59    69    70    71    72    73  
   69    70    71  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67  
   67  
   68  
    0  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5000   0.0660   0.192400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.340900   1.8650   1.6500   0.051222218  -2.220205820
   59   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.2500   0.0500   0.371400   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.139100   1.4250   1.2500   0.008598240   0.268726247
   71   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   72   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.0000   0.0000   0.460000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    54   268.000  1.529
   33    40   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   260.000  1.519
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    48   305.000  1.456
   46    47   340.000  1.090
   46    52   250.000  1.540
   46    56   260.000  1.519
   52    53   930.000  1.212
   52    48   440.000  1.369
   48    54   337.000  1.449
   54    55   340.000  1.090
   54    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    67   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   553.000  0.945
   40    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   337.000  1.463
   58    59   434.000  1.010
   58    69   481.000  1.340
   69    70   385.000  1.083
   69    71   481.000  1.340
   71    72   434.000  1.010
   71    73   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    54    75.00000  108.68000
   29    33    40    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    70.00000  112.98000
   33    54    48    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    60    63.00000  111.10000
   33    40    43    62.00000   98.90000
   37    41    42    45.00000  112.72800
   37    41    46    65.00000  119.52000
   37    41    48    80.00000  110.05700
   39    37    38    33.00000  107.80000
   41    37    38    45.00000  111.22300
   41    37    39    45.00000  111.22300
   41    46    47    37.50000  110.70000
   41    46    52   100.00000   86.36000
   41    46    56    65.00000  119.52000
   41    48    52   100.00000   93.00000
   41    48    54    50.00000  132.70000
   46    41    42    37.50000  110.70000
   46    52    53    60.00000  136.58000
   46    52    48    95.00000   92.72400
   46    56    57    45.00000  111.22300
   46    56    63    70.00000  112.98000
   46    56    67    50.00000  109.50000
   52    46    47    40.00000  113.37500
   52    48    54    50.00000  132.10000
   48    41    42    50.00000  112.01000
   48    41    46   105.00000   87.49700
   48    52    53    75.00000  131.60000
   48    54    55    35.00000  109.50000
   48    54    60    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    60    61    70.00000  117.00000
   54    60    62    70.00000  117.00000
   60    54    55    35.00000  109.50000
   62    60    61    80.00000  126.00000
   56    46    47    45.00000  112.72800
   56    46    52    63.00000  111.10000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   56    67    68    55.00000  108.50000
   63    56    57    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    56    57    35.00000  109.50000
   67    56    63    50.00000  109.50000
   40    33    37    75.00000  111.63000
   40    33    54    75.00000  108.68000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    49    75.00000  111.63000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    58    80.00000  111.20000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    58    59    35.00000  118.40000
   49    58    69    50.00000  123.20000
   51    49    50    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    51    35.00000  109.50000
   58    69    70    45.00000  116.52200
   58    69    71    70.00000  120.00000
   69    58    59    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    35.00000  120.00000
   71    69    70    45.00000  116.52200
   73    71    72    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    54    48   0.71400  1.0 1.0
   29    33    54    48   0.04300 -1.0 2.0
   29    33    54    48   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60  -2.17200  1.0 1.0
   29    33    54    60  -0.85700 -1.0 2.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    46   0.04050  1.0 1.0
   33    37    41    46   0.63700 -1.0 2.0
   33    37    41    46   0.17650  1.0 3.0
   33    37   -41    48   0.43900  1.0 1.0
   33    37   -41    48   0.49100 -1.0 2.0
   33    37   -41    48   0.28400  1.0 3.0
   33    54    60    61   0.00000  1.0 1.0
   33    54    60    62   0.00000  1.0 1.0
   33    40    43    44   0.32350  1.0 3.0
   33    40    43    45   0.32350  1.0 3.0
   33    40    43    49   0.01700  1.0 1.0
   33    40    43    49  -0.23550 -1.0 2.0
   33    40    43    49   0.21350  1.0 3.0
   37    33   -54    48   0.42250  1.0 1.0
   37    33   -54    48  -0.48100 -1.0 2.0
   37    33   -54    48   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    60  -0.84850  1.0 1.0
   37    33    54    60  -0.22800 -1.0 2.0
   37    33    54    60   0.29250  1.0 3.0
   37    33    40    43   0.01700  1.0 1.0
   37    33    40    43  -0.23550 -1.0 2.0
   37    33    40    43   0.21350  1.0 3.0
   37    41    46    47   0.15000  1.0 3.0
   37    41    46    52  -0.95700  1.0 1.0
   37    41    46    52  -0.18200 -1.0 2.0
   37    41    46    52   0.29450  1.0 3.0
   37    41    46    56   0.56750  1.0 1.0
   37    41    46    56  -0.07550 -1.0 2.0
   37    41    46    56   0.20000  1.0 3.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    46   0.00000  1.0 1.0
   38    37    41    48   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    46   0.00000  1.0 1.0
   39    37    41    48   0.15000  1.0 3.0
   41    46    52    53  -0.11250  1.0 1.0
   41    46    52    53   0.11400 -1.0 2.0
   41    46    52    53  -0.28950  1.0 3.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    56    57   0.00000  1.0 1.0
   41    46    56    63   0.04050  1.0 1.0
   41    46    56    63   0.63700 -1.0 2.0
   41    46    56    63   0.17650  1.0 3.0
   41    46    56    67   0.86500  1.0 1.0
   41    46    56    67  -0.17500 -1.0 2.0
   41    46    56    67   0.20800  1.0 3.0
   41    48   -54    33   0.00000  1.0 1.0
   41    48    54    55   0.00000  1.0 1.0
   41    48    54    60   0.00000  1.0 1.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   42    41    46    56   0.15000  1.0 3.0
   42    41   -48    52   0.00000  1.0 1.0
   42    41    48    54   0.00000  1.0 1.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    54   3.00000 -1.0 2.0
   46    56    63    64   0.15000  1.0 3.0
   46    56    63    65   0.15000  1.0 3.0
   46    56    63    66   0.15000  1.0 3.0
   46    56    67    68  -0.11600  1.0 1.0
   46    56    67    68  -0.09450 -1.0 2.0
   46    56    67    68   0.21250  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48   0.00000  1.0 1.0
   47    46    56    57   0.15000  1.0 3.0
   47    46    56    63   0.15000  1.0 3.0
   47    46    56    67   0.23400  1.0 3.0
   52    46    56    57  -0.11250  1.0 3.0
   52    46    56    63  -0.95700  1.0 1.0
   52    46    56    63  -0.18200 -1.0 2.0
   52    46    56    63   0.29450  1.0 3.0
   52    46    56    67  -0.09450  1.0 1.0
   52    46    56    67  -1.12950 -1.0 2.0
   52    46    56    67   0.54000  1.0 3.0
   52    48    54    33   0.00000  1.0 1.0
   52    48    54    55   0.00000  1.0 1.0
   52    48    54    60   0.00000  1.0 1.0
   53    52   -48    41   3.00000 -1.0 2.0
   53    52    48    54   3.00000 -1.0 2.0
   48    41   -46    47   0.15000  1.0 3.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    41    46    56   0.43900  1.0 1.0
   48    41    46    56   0.49100 -1.0 2.0
   48    41    46    56   0.28400  1.0 3.0
   48    54    60    61   0.00000  1.0 1.0
   48    54    60    62   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    41   0.31550 -1.0 2.0
   54    33   -37    41   0.11250  1.0 3.0
   54    33    40    43   0.01700  1.0 1.0
   54    33    40    43  -0.23550 -1.0 2.0
   54    33    40    43   0.21350  1.0 3.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   56    46    52    53   0.30150 -1.0 2.0
   56    46   -52    48   1.39750  1.0 1.0
   56    46   -52    48  -0.07950 -1.0 2.0
   56    46   -52    48  -0.18750  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   57    56    67    68   0.19450  1.0 3.0
   63    56    67    68  -0.11600  1.0 1.0
   63    56    67    68  -0.09450 -1.0 2.0
   63    56    67    68   0.21250  1.0 3.0
   67    56    63    64   0.23400  1.0 3.0
   67    56    63    65   0.23400  1.0 3.0
   67    56    63    66   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41   0.44750  1.0 1.0
   40    33    37    41  -0.17800 -1.0 2.0
   40    33    37    41   0.20200  1.0 3.0
   40    33    54    48   0.71400  1.0 1.0
   40    33    54    48   0.04300 -1.0 2.0
   40    33    54    48   0.01450  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    60  -2.17200  1.0 1.0
   40    33    54    60  -0.85700 -1.0 2.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    51   0.15000  1.0 3.0
   40    43    49    58   0.56750  1.0 1.0
   40    43    49    58  -0.07550 -1.0 2.0
   40    43    49    58   0.20000  1.0 3.0
   43    49    58    59  -0.09500  1.0 1.0
   43    49    58    59  -0.20850 -1.0 2.0
   43    49    58    59   0.20900  1.0 3.0
   43    49    58    69   0.25550 -1.0 2.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    58  -0.29100  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    58  -0.29100  1.0 3.0
   49    58    69    70  -0.09200  1.0 1.0
   49    58    69    70   0.68550 -1.0 2.0
   49    58    69    71   3.96800 -1.0 2.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    69   0.08850  1.0 3.0
   51    49    58    59   0.00000  1.0 1.0
   51    49    58    69   0.08850  1.0 3.0
   58    69    71    72   1.50000 -1.0 2.0
   58    69    71    73   1.50000 -1.0 2.0
   59    58    69    70   1.00000 -1.0 2.0
   59    58    69    71   1.50000 -1.0 2.0
   70    69    71    72   1.00000 -1.0 2.0
   70    69    71    73   1.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   46    48    52    53  10.50000 -1.0 2.0
   54    52    48    41   1.00000 -1.0 2.0
   61    54    60    62  10.50000 -1.0 2.0
   59    69    58    49   1.00000 -1.0 2.0
   58    70    69    71  10.50000 -1.0 2.0
   72    73    71    69   1.00000 -1.0 2.0
END
