* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    131    201     381
    1     0 S   NP   _N1_     1    28.74973    95.15150   -23.70343
    2     1 S   H    _HN1     2     1.02829    29.83495   170.12707
    3     1 S   H    _H1_     3     1.02783   105.72317   -91.22878
    4     1 S   H    _H2_     4     1.02950    80.03337    15.18906
    5     1 S   CT   _CA1     5     1.50103   133.97024   124.00474
    6     5 S   HC   _HA1     6     1.09571   105.22207    81.79041
    7     5 S   CO3  _C1_     7     1.53796   112.42510   -38.49083
    8     7 S   O2Z  _O11     8     1.26371   115.00868   -43.49230
    9     7 S   O2Z  _O12     9     1.26237   114.94601   135.69250
   10     5 S   CT   _CB1    10     1.53087   107.43270  -160.21241
   11    10 S   HC   HB11    11     1.09830   109.41749   -49.82837
   12    10 S   HC   HB12    12     1.09814   110.42744    66.78458
   13    10 S   CT   _CG1    13     1.52987   112.58616  -170.81573
   14    13 S   HC   HG11    14     1.09586   110.59459   -64.40324
   15    13 S   HC   HG12    15     1.09666   109.83339    54.82556
   16    13 S   C    _CD1    16     1.51793   112.27143   175.30076
   17    16 S   O    _OE1    17     1.22728   123.30213     4.70902
   18    16 S   N    _N2_    18     1.38652   111.63639  -175.44413
   19    18 S   H    _HN2    19     1.01582   118.95853     1.91305
   20    18 S   CT1  _CA2    20     1.46188   123.37848   178.27082
   21    20 S   HC   _HA2    21     1.09739   109.37289     0.42382
   22    20 S   C    _C2_    22     1.53511   108.58145  -115.06411
   23    22 S   O    _O2_    23     1.23051   122.30356  -147.88395
   24    20 S   CT   _CB2    32     1.53419   111.61551   122.39556
   25    24 S   HC   HB21    33     1.09503   109.75453    56.57416
   26    24 S   HC   HB22    34     1.09412   109.75826   175.39206
   27    22 S   N    _N3_    24     1.38334   113.65587    39.56058
   28    27 S   H    _HN3    25     1.01598   119.57637    -3.42348
   29    24 S   S    _SG2    35     1.83130   111.20929   -64.24844
   30    27 S   CT   _CA3    26     1.45288   123.17625   177.07156
   31    30 S   HC   HA31    27     1.09550   107.51404   -64.35831
   32    30 S   HC   HA32    28     1.09557   107.97462    52.06970
   33    29 S   CT   _C15    36     1.85844   101.13385  -175.56526
   34    30 S   CO3  _C3_    29     1.52951   114.10027   174.06393
   35    34 S   O2Z  _O31    30     1.26373   116.06494    -0.70638
   36    34 S   O2Z  _O32    31     1.26429   114.41151   179.35441
   37    33 S   C5BC _C7_    37     1.52002   109.92681    66.24999
   38    33 S   CT   _C12    45     1.54789   109.00473   -58.86329
   39    38 S   HC   _H25    46     1.09548   114.03741    86.13703
   40    38 S   HC   _H26    47     1.09885   111.02220   -34.52818
   41    37 S   C5BC _C4_    38     1.43297   127.58190    46.02488
   42    41 S   HA   _H19    39     1.08111   127.44972     0.25179
   43    38 S   CT   _C11    48     1.53228   106.50609  -150.89040
   44    43 S   HC   _H23    49     1.09585   110.13793   137.73135
   45    43 S   HC   _H24    50     1.09580   110.78467  -104.24842
   46    41 S   C5A  _C5_    40     1.37348   107.11119   179.98022
   47    46 S   HA   _H20    41     1.08015   133.83931  -179.88986
   48    43 S   CT   _C14    51     1.53261   106.39035    15.32773
   49    48 S   HC   _H28    52     1.09784   108.37090  -106.26997
   50    46 S   OA   _O17    42     1.35425   110.35893     0.04846
   51    33 S   CT   _C13    53     1.55629   109.86323  -167.77895
   52    51 S   HC   _H27    54     1.10094   109.86643    42.89528
   53    48 S   CT   _C18    68     1.52437   112.42794   134.87856
   54    53 S   HC   _H35    69     1.09522   111.42992   -60.11277
   55    53 S   HC   _H36    70     1.09474   110.90018   179.56299
   56    53 S   HC   _H37    71     1.09502   110.55697    59.90789
   57    37 S   C5A  _C6_    43     1.38501   128.30307  -133.97358
   58    57 S   HA   _H21    44     1.08053   133.56771     0.01978
   59    51 S   CO4  _C10    55     1.53055   116.43017   -79.84977
   60    59 S   O    _O16    56     1.22843   122.24079   -82.79971
   61    59 S   CM   _C8_    57     1.49445   116.30583    96.84045
   62    61 S   HC   _H22    58     1.08594   115.04899   -24.27201
   63    61 S   CM   _C9_    59     1.34534   125.68543   155.07457
   64    63 S   CT   _C16    60     1.50700   119.79716   178.01072
   65    64 S   HC   _H29    61     1.09496   110.32949   118.06089
   66    64 S   HC   _H30    62     1.09522   112.44455    -2.12642
   67    64 S   HC   _H31    63     1.09505   110.15191  -122.09358
   68    63 S   CT   _C17    64     1.50326   126.08376    -2.85931
   69    68 S   HC   _H32    65     1.09443   110.19623   102.58667
   70    68 S   HC   _H33    66     1.09586   110.18930  -138.14452
   71    68 S   HC   _H34    67     1.09215   113.33451   -19.62350
  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  12   5   4   3
  21   2   1   1  15  13   6   5   7   4  11   5   4   4   2  10
   7   2  11   4   4   2   1   1   1   1   6   3  10   3   8   7
   3   2   1   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    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    57    38    39    40    43    48    51    52    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    46    50    57    58    38    39    40    43    44    45    48    49    51    52    59    60    61    53  
   35    36  
   36  
    0  
   41    42    46    47    50    57    58    38    39    40    43    48    51    52    59  
   39    40    43    44    45    48    49    51    52    59    53    41    57  
   40    43    44    45    48    51  
   43    44    45    48    51  
   42    46    47    50    57    58    51  
   46    47    50    57  
   44    45    48    49    51    52    59    53    54    55    56  
   45    48    49    51    53  
   48    49    51    53  
   47    50    57    58  
   50    57  
   49    51    52    59    60    61    53    54    55    56  
   51    52    59    53    54    55    56  
   57    58  
   52    59    60    61    62    63    53    54    55    56    57  
   59    60    61    53  
   54    55    56    59  
   55    56  
   56  
    0  
   58  
    0  
   60    61    62    63    64    68  
   61    62    63  
   62    63    64    65    66    67    68    69    70    71  
   63    64    68  
   64    65    66    67    68    69    70    71  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   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   0.282500   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   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    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   285.000  1.502
   33    38   268.000  1.529
   33    51   268.000  1.529
   37    41   469.000  1.424
   37    57   546.000  1.367
   41    42   367.000  1.080
   41    46   546.000  1.367
   46    47   367.000  1.080
   46    50   340.000  1.360
   50    57   340.000  1.360
   57    58   367.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    53   268.000  1.529
   51    52   340.000  1.090
   51    59   317.000  1.522
   59    60   570.000  1.229
   59    61   320.000  1.462
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    37    41    60.00000  130.00000
   33    37    57    60.00000  130.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    59    63.00000  111.10000
   37    41    42    35.00000  127.50000
   37    41    46    70.00000  107.30000
   37    57    50    70.00000  110.60000
   37    57    58    35.00000  132.10000
   41    46    47    35.00000  132.10000
   41    46    50    70.00000  110.60000
   46    41    42    35.00000  125.70000
   46    50    57    70.00000  106.50000
   50    46    47    35.00000  113.40000
   50    57    58    35.00000  113.40000
   57    37    41    70.00000  107.30000
   38    33    37    70.00000  112.17500
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    48    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    51    58.35000  112.70000
   43    48    53    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    59    63.00000  111.10000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   51    33    37    70.00000  112.17500
   51    33    38    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    59    60    80.00000  120.40000
   51    59    61    65.00000  118.62400
   59    51    52    35.00000  109.50000
   59    61    62    40.00000  117.72500
   59    61    63    65.00000  118.96000
   61    59    60    80.00000  123.72100
   61    63    64    70.00000  124.00000
   61    63    68    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    67    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    63    64    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    57  -0.16000  1.0 1.0
   29    33    37    57  -0.03200 -1.0 2.0
   29    33    37    57   0.04500  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    59   0.56750  1.0 1.0
   29    33    51    59  -0.07550 -1.0 2.0
   29    33    51    59   0.20000  1.0 3.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    46   3.62500 -1.0 2.0
   33    37    57    50   3.62500 -1.0 2.0
   33    37    57    58   3.62500 -1.0 2.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38   -43    48   0.56750  1.0 1.0
   33    38   -43    48  -0.07550 -1.0 2.0
   33    38   -43    48   0.20000  1.0 3.0
   33    51    59    60   0.30150 -1.0 2.0
   33    51    59    61   0.65300  1.0 1.0
   33    51    59    61  -0.03850 -1.0 2.0
   33    51    59    61   0.33900  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    43  -0.03700  1.0 1.0
   37    33    38    43   0.37200 -1.0 2.0
   37    33    38    43  -0.47300  1.0 3.0
   37    33    51    48  -0.03700  1.0 1.0
   37    33    51    48   0.37200 -1.0 2.0
   37    33    51    48  -0.47300  1.0 3.0
   37    33    51    52   0.43200  1.0 3.0
   37    33    51    59   0.56750  1.0 1.0
   37    33    51    59  -0.07550 -1.0 2.0
   37    33    51    59   0.20000  1.0 3.0
   37    41    46    47   3.62500 -1.0 2.0
   37    41   -46    50   3.62500 -1.0 2.0
   41    37   -57    50   3.62500 -1.0 2.0
   41    37    57    58   3.62500 -1.0 2.0
   41    46   -50    57   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    50   3.62500 -1.0 2.0
   46    50   -57    37   3.62500 -1.0 2.0
   46    50    57    58   3.62500 -1.0 2.0
   47    46    50    57   3.62500 -1.0 2.0
   57    37    41    42   3.62500 -1.0 2.0
   57    37   -41    46   3.62500 -1.0 2.0
   38    33    37    41   0.04150 -1.0 2.0
   38    33    37    57   0.04150 -1.0 2.0
   38    33   -51    48   0.56750  1.0 1.0
   38    33   -51    48  -0.07550 -1.0 2.0
   38    33   -51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    59  -0.95700  1.0 1.0
   38    33    51    59  -0.18200 -1.0 2.0
   38    33    51    59   0.29450  1.0 3.0
   38    43    48    49   0.15000  1.0 3.0
   38    43   -48    51   0.56750  1.0 1.0
   38    43   -48    51  -0.07550 -1.0 2.0
   38    43   -48    51   0.20000  1.0 3.0
   38    43    48    53   0.56750  1.0 1.0
   38    43    48    53  -0.07550 -1.0 2.0
   38    43    48    53   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   43    48   -51    33   0.56750  1.0 1.0
   43    48   -51    33  -0.07550 -1.0 2.0
   43    48   -51    33   0.20000  1.0 3.0
   43    48    51    52   0.15000  1.0 3.0
   43    48    51    59  -0.95700  1.0 1.0
   43    48    51    59  -0.18200 -1.0 2.0
   43    48    51    59   0.29450  1.0 3.0
   43    48    53    54   0.15000  1.0 3.0
   43    48    53    55   0.15000  1.0 3.0
   43    48    53    56   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    43    48    53   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    51   0.15000  1.0 3.0
   45    43    48    53   0.15000  1.0 3.0
   48    51    59    60   0.30150 -1.0 2.0
   48    51    59    61   0.65300  1.0 1.0
   48    51    59    61  -0.03850 -1.0 2.0
   48    51    59    61   0.33900  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    59  -0.11250  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   51    33    37    41   0.04150 -1.0 2.0
   51    33    37    57   0.04150 -1.0 2.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33   -38    43   0.56750  1.0 1.0
   51    33   -38    43  -0.07550 -1.0 2.0
   51    33   -38    43   0.20000  1.0 3.0
   51    48    53    54   0.15000  1.0 3.0
   51    48    53    55   0.15000  1.0 3.0
   51    48    53    56   0.15000  1.0 3.0
   51    59    61    62   0.04550  1.0 1.0
   51    59    61    62   0.83000 -1.0 2.0
   51    59    61    62  -0.04000  1.0 3.0
   51    59    61    63  -0.33500  1.0 1.0
   51    59    61    63   1.06600 -1.0 2.0
   51    59    61    63  -0.14000  1.0 3.0
   52    51    59    60   0.00000  1.0 1.0
   52    51    59    61   0.00000  1.0 1.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    68   7.00000 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   1.00000 -1.0 2.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    67   0.00000  1.0 1.0
   61    63    68    69   0.00000  1.0 1.0
   61    63    68    70   0.00000  1.0 1.0
   61    63    68    71   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    68   7.00000 -1.0 2.0
   64    63    68    69   0.34800  1.0 3.0
   64    63    68    70   0.34800  1.0 3.0
   64    63    68    71   0.34800  1.0 3.0
   68    63    64    65   0.34800  1.0 3.0
   68    63    64    66   0.34800  1.0 3.0
   68    63    64    67   0.34800  1.0 3.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    59  -0.95700  1.0 1.0
   53    48    51    59  -0.18200 -1.0 2.0
   53    48    51    59   0.29450  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   41    57    37    33   4.00000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   50    47    46    41   1.10000 -1.0 2.0
   50    58    57    37   1.10000 -1.0 2.0
   51    61    59    60  10.50000 -1.0 2.0
   59    62    61    63  15.00000 -1.0 2.0
   64    68    63    61  15.00000 -1.0 2.0
END
