* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    142    224     425
    1     0 S   NP   _N1_     1    28.07520    95.74292   -23.10761
    2     1 S   H    _HN1     2     1.02957    80.30957    -2.20576
    3     1 S   H    _H1_     3     1.02835    32.04334   144.27093
    4     1 S   H    _H2_     4     1.02777   100.80701  -109.20231
    5     1 S   CT   _CA1     5     1.50141   138.60834   107.72269
    6     5 S   HC   _HA1     6     1.09575   105.20501    78.95513
    7     5 S   CO3  _C1_     7     1.53772   112.32729   -41.22941
    8     7 S   O2Z  _O11     8     1.26368   114.99148   -44.32143
    9     7 S   O2Z  _O12     9     1.26226   114.92686   134.68807
   10     5 S   CT   _CB1    10     1.53084   107.41339  -163.14169
   11    10 S   HC   HB11    11     1.09830   109.31427   -50.29537
   12    10 S   HC   HB12    12     1.09815   110.44035    66.24904
   13    10 S   CT   _CG1    13     1.53030   112.69771  -171.33998
   14    13 S   HC   HG11    14     1.09592   110.55049   -65.05628
   15    13 S   HC   HG12    15     1.09662   109.89158    54.16208
   16    13 S   C    _CD1    16     1.51847   112.22046   174.53894
   17    16 S   O    _OE1    17     1.22760   123.29258     2.94995
   18    16 S   N    _N2_    18     1.38525   111.77116  -177.08516
   19    18 S   H    _HN2    19     1.01540   119.05551     3.55435
   20    18 S   CT1  _CA2    20     1.45821   122.82411   177.74779
   21    20 S   HC   _HA2    21     1.09722   108.86956    26.56454
   22    20 S   C    _C2_    22     1.52937   106.97013   -90.64806
   23    22 S   O    _O2_    23     1.22979   123.04796   -27.55284
   24    20 S   CT   _CB2    32     1.53213   112.31565   149.85562
   25    24 S   HC   HB21    33     1.09395   109.63704    56.49339
   26    24 S   HC   HB22    34     1.09479   109.83545   174.93376
   27    22 S   N    _N3_    24     1.38488   112.53557   155.28355
   28    27 S   H    _HN3    25     1.01650   120.35646    -2.09499
   29    24 S   S    _SG2    35     1.82813   111.04292   -65.42416
   30    27 S   CT   _CA3    26     1.45353   122.50699   178.51181
   31    30 S   HC   HA31    27     1.09565   107.81162   -56.13140
   32    30 S   HC   HA32    28     1.09562   107.61484    60.21283
   33    29 S   CT   _C13    36     1.88232   101.54763   164.00597
   34    30 S   CO3  _C3_    29     1.52898   114.28955  -177.98132
   35    34 S   O2Z  _O31    30     1.26343   116.04537     1.45307
   36    34 S   O2Z  _O32    31     1.26433   114.42341  -178.59417
   37    33 S   CM   _C12    37     1.52167   106.06667   -69.46934
   38    37 S   HC   _H12    38     1.08978   114.63708   -61.03554
   39    33 S   CM   _C15    68     1.51982   105.61291   172.26026
   40    39 S   HC   _H16    69     1.09189   117.94075   -35.08627
   41    33 S   CT   _C14    73     1.53811   108.95585    56.45082
   42    41 S   HC   _H13    74     1.09730   111.70324    56.68401
   43    41 S   HC   _H14    75     1.09682   111.30064   175.91294
   44    41 S   HC   _H15    76     1.09511   112.77128   -64.57746
   45    37 S   CM   _C11    39     1.34554   127.05055   119.73168
   46    45 S   HC   _H11    40     1.08491   117.52179    -1.77056
   47    39 S   CMA  _C16    70     1.51451   124.43878   150.51102
   48    47 S   OM   _O33    71     1.26197   119.35331  -142.26605
   49    47 S   OM   _O34    72     1.26196   122.07075    39.40374
   50    45 S   CT   _C10    41     1.51714   126.18363   178.73113
   51    50 S   CT   _C5_    42     1.54825   116.62418  -137.90247
   52    50 S   OH   _O35    66     1.43818   109.31504   -14.05754
   53    52 S   HO   _H17    67     0.97347   107.94421   -53.44879
   54    51 S   CT   _C6_    43     1.55437   111.28045   -54.17214
   55    54 S   HC   _H7_    44     1.09894   109.80887  -177.61468
   56    54 S   HC   _H8_    45     1.09705   110.67880    67.76641
   57    51 S   CT   _C17    53     1.53887    99.67060  -169.36945
   58    57 S   HC   _H18    54     1.09471   113.41901   154.76938
   59    57 S   HC   _H19    55     1.09580   112.49028   -82.41665
   60    51 S   CT   _C4_    62     1.52923   115.11995    71.14201
   61    60 S   HC   _H4_    63     1.09477   112.08266    57.57754
   62    60 S   HC   _H5_    64     1.09480   111.06839   -63.15767
   63    60 S   HC   _H6_    65     1.09584   110.83651   177.09444
   64    54 S   CT   _C7_    46     1.53428   113.58592   -56.71237
   65    64 S   HC   _H3_    47     1.09709   108.89121   -82.95061
   66    64 S   CT   _C8_    48     1.53168   113.34382    37.86245
   67    66 S   HC   _H9_    49     1.09708   110.76243    85.80973
   68    66 S   HC   _H10    50     1.09855   107.34244  -159.80196
   69    64 S   OH   _O37    60     1.42359   110.06738   160.35804
   70    69 S   HO   _H23    61     0.97248   107.51699    55.44777
   71    50 S   CT   _C9_    51     1.54909   115.15584   108.03642
   72    71 S   OS   _O36    52     1.45501   104.34101   167.67160
   73    71 S   CT   _C18    56     1.52651   114.63296   -74.00534
   74    73 S   HC   _H20    57     1.09524   111.43962   -58.84509
   75    73 S   HC   _H21    58     1.09606   110.65542  -176.38876
   76    73 S   HC   _H22    59     1.09327   111.67017    62.90666
  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
  14   2   1   1  14   5   9   4   5   2   1   1  12   4   2   1
   1  23  19   8   1  18   7   6  11   4   3   6   2   1   1   9
   6  10   5   4   2   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    71    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    54    66    71    72    57    73    60    52    53  
   50    51    71    52  
   48    49  
   49  
    0  
   51    54    55    56    64    66    67    68    71    72    57    58    59    73    74    75    76    60    61    62    63    52    53  
   54    55    56    64    65    66    71    72    57    58    59    73    69    60    61    62    63    52    53  
   53    54    57    60    66    71    72    73  
   71  
   55    56    64    65    66    67    68    71    72    57    58    59    69    70    60    61    62    63  
   56    64    65    66    57    69    60  
   64    65    66    57    69    60  
   58    59    73    60    61    62    63    64    66    71    72  
   59    60    71    72  
   60    71    72  
   61    62    63    64    71    72  
   62    63  
   63  
    0  
   65    66    67    68    71    72    73    69    70  
   66    67    68    71    69    70  
   67    68    71    72    73    74    75    76    69    70  
   68    71    72    73    69  
   71    72    73    69  
   70    71  
    0  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.167500   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   49   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   317.000  1.510
   50    51   268.000  1.529
   50    71   268.000  1.529
   50    52   320.000  1.410
   51    54   268.000  1.529
   51    57   268.000  1.529
   51    60   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   320.000  1.410
   71    73   268.000  1.529
   72    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   69    70   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   745.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    70.00000  124.00000
   45    37    38    35.00000  120.00000
   45    50    51    70.00000  112.02700
   45    50    71    70.00000  112.02700
   45    50    52    90.00000  110.39200
   50    45    46    35.00000  117.00000
   50    51    54    58.35000  112.70000
   50    51    57    58.35000  112.70000
   50    51    60    58.35000  112.70000
   50    71    66    58.35000  112.70000
   50    71    72    50.00000  109.50000
   50    71    73    58.35000  112.70000
   50    52    53    55.00000  108.50000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    64    58.35000  112.70000
   51    57    72    50.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    66    58.35000  112.70000
   54    64    69    50.00000  109.50000
   56    54    55    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    56    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    71    58.35000  112.70000
   64    69    70    55.00000  108.50000
   66    64    65    37.50000  110.70000
   66    71    72    50.00000  109.50000
   66    71    73    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    50    51    58.35000  112.70000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    72    57    60.00000  109.50000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    76    37.50000  110.70000
   72    57    58    35.00000  109.50000
   72    57    59    35.00000  109.50000
   57    51    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   73    71    72    50.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    50.00000  109.50000
   60    51    54    58.35000  112.70000
   60    51    57    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    50    51    50.00000  109.50000
   52    50    71    50.00000  109.50000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    65.00000  137.10300
   47    39    40    40.00000  120.50800
   49    47    48    65.00000  121.00000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51   0.09850  1.0 1.0
   37    45    50    51   0.15250 -1.0 2.0
   37    45    50    51  -0.50650  1.0 3.0
   37    45    50    71   0.09850  1.0 1.0
   37    45    50    71   0.15250 -1.0 2.0
   37    45    50    71  -0.50650  1.0 3.0
   37    45    50    52   0.67800  1.0 1.0
   37    45    50    52   0.47050 -1.0 2.0
   37    45    50    52  -0.62500  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    51    54   0.34400  1.0 1.0
   45    50    51    54   0.09450 -1.0 2.0
   45    50    51    54   0.11100  1.0 3.0
   45    50    51    57   0.34400  1.0 1.0
   45    50    51    57   0.09450 -1.0 2.0
   45    50    51    57   0.11100  1.0 3.0
   45    50    51    60   0.34400  1.0 1.0
   45    50    51    60   0.09450 -1.0 2.0
   45    50    51    60   0.11100  1.0 3.0
   45    50    71    66   0.34400  1.0 1.0
   45    50    71    66   0.09450 -1.0 2.0
   45    50    71    66   0.11100  1.0 3.0
   45    50    71    72   0.61850  1.0 1.0
   45    50    71    72  -0.22750 -1.0 2.0
   45    50    71    72   0.15300  1.0 3.0
   45    50    71    73   0.34400  1.0 1.0
   45    50    71    73   0.09450 -1.0 2.0
   45    50    71    73   0.11100  1.0 3.0
   45    50    52    53  -0.07800  1.0 1.0
   45    50    52    53  -0.21500 -1.0 2.0
   45    50    52    53  -0.03150  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    71   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   50    51    54    55   0.15000  1.0 3.0
   50    51    54    56   0.15000  1.0 3.0
   50    51    54    64   0.56750  1.0 1.0
   50    51    54    64  -0.07550 -1.0 2.0
   50    51    54    64   0.20000  1.0 3.0
   50    51   -57    72   0.62750  1.0 1.0
   50    51   -57    72  -0.30950 -1.0 2.0
   50    51   -57    72   0.27300  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    60    61   0.15000  1.0 3.0
   50    51    60    62   0.15000  1.0 3.0
   50    51    60    63   0.15000  1.0 3.0
   50    71   -72    57   0.06250  1.0 1.0
   50    71   -72    57  -0.01100 -1.0 2.0
   50    71   -72    57   0.28050  1.0 3.0
   50    71    73    74   0.15000  1.0 3.0
   50    71    73    75   0.15000  1.0 3.0
   50    71    73    76   0.15000  1.0 3.0
   51    50    71    66   0.56750  1.0 1.0
   51    50    71    66  -0.07550 -1.0 2.0
   51    50    71    66   0.20000  1.0 3.0
   51    50   -71    72   0.62750  1.0 1.0
   51    50   -71    72  -0.30950 -1.0 2.0
   51    50   -71    72   0.27300  1.0 3.0
   51    50    71    73   0.56750  1.0 1.0
   51    50    71    73  -0.07550 -1.0 2.0
   51    50    71    73   0.20000  1.0 3.0
   51    50    52    53  -0.11600  1.0 1.0
   51    50    52    53  -0.09450 -1.0 2.0
   51    50    52    53   0.21250  1.0 3.0
   51    54    64    65   0.15000  1.0 3.0
   51    54   -64    66   0.56750  1.0 1.0
   51    54   -64    66  -0.07550 -1.0 2.0
   51    54   -64    66   0.20000  1.0 3.0
   51    54    64    69   0.86500  1.0 1.0
   51    54    64    69  -0.17500 -1.0 2.0
   51    54    64    69   0.20800  1.0 3.0
   54    51    57    72   0.62750  1.0 1.0
   54    51    57    72  -0.30950 -1.0 2.0
   54    51    57    72   0.27300  1.0 3.0
   54    51    57    58   0.15000  1.0 3.0
   54    51    57    59   0.15000  1.0 3.0
   54    51    60    61   0.15000  1.0 3.0
   54    51    60    62   0.15000  1.0 3.0
   54    51    60    63   0.15000  1.0 3.0
   54    64    66    67   0.15000  1.0 3.0
   54    64    66    68   0.15000  1.0 3.0
   54    64    66    71   0.56750  1.0 1.0
   54    64    66    71  -0.07550 -1.0 2.0
   54    64    66    71   0.20000  1.0 3.0
   54    64    69    70  -0.11600  1.0 1.0
   54    64    69    70  -0.09450 -1.0 2.0
   54    64    69    70   0.21250  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    69   0.23400  1.0 3.0
   56    54    64    65   0.15000  1.0 3.0
   56    54    64    66   0.15000  1.0 3.0
   56    54    64    69   0.23400  1.0 3.0
   64    66   -71    50   0.56750  1.0 1.0
   64    66   -71    50  -0.07550 -1.0 2.0
   64    66   -71    50   0.20000  1.0 3.0
   64    66    71    72   0.62750  1.0 1.0
   64    66    71    72  -0.30950 -1.0 2.0
   64    66    71    72   0.27300  1.0 3.0
   64    66    71    73   0.56750  1.0 1.0
   64    66    71    73  -0.07550 -1.0 2.0
   64    66    71    73   0.20000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.15000  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70  -0.11600  1.0 1.0
   66    64    69    70  -0.09450 -1.0 2.0
   66    64    69    70   0.21250  1.0 3.0
   66    71    72    57   0.06250  1.0 1.0
   66    71    72    57  -0.01100 -1.0 2.0
   66    71    72    57   0.28050  1.0 3.0
   66    71    73    74   0.15000  1.0 3.0
   66    71    73    75   0.15000  1.0 3.0
   66    71    73    76   0.15000  1.0 3.0
   67    66    71    50   0.15000  1.0 3.0
   67    66    71    72   0.23400  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   68    66    71    50   0.15000  1.0 3.0
   68    66    71    72   0.23400  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   71    50   -51    54   0.56750  1.0 1.0
   71    50   -51    54  -0.07550 -1.0 2.0
   71    50   -51    54   0.20000  1.0 3.0
   71    50   -51    57   0.56750  1.0 1.0
   71    50   -51    57  -0.07550 -1.0 2.0
   71    50   -51    57   0.20000  1.0 3.0
   71    50    51    60   0.56750  1.0 1.0
   71    50    51    60  -0.07550 -1.0 2.0
   71    50    51    60   0.20000  1.0 3.0
   71    50    52    53  -0.11600  1.0 1.0
   71    50    52    53  -0.09450 -1.0 2.0
   71    50    52    53   0.21250  1.0 3.0
   71    72   -57    51   0.06250  1.0 1.0
   71    72   -57    51  -0.01100 -1.0 2.0
   71    72   -57    51   0.28050  1.0 3.0
   71    72    57    58   0.37050  1.0 3.0
   71    72    57    59   0.37050  1.0 3.0
   72    71    73    74   0.23400  1.0 3.0
   72    71    73    75   0.23400  1.0 3.0
   72    71    73    76   0.23400  1.0 3.0
   57    51    54    55   0.15000  1.0 3.0
   57    51    54    56   0.15000  1.0 3.0
   57    51    54    64   0.56750  1.0 1.0
   57    51    54    64  -0.07550 -1.0 2.0
   57    51    54    64   0.20000  1.0 3.0
   57    51    60    61   0.15000  1.0 3.0
   57    51    60    62   0.15000  1.0 3.0
   57    51    60    63   0.15000  1.0 3.0
   73    71    72    57   0.06250  1.0 1.0
   73    71    72    57  -0.01100 -1.0 2.0
   73    71    72    57   0.28050  1.0 3.0
   69    64    66    67   0.23400  1.0 3.0
   69    64    66    68   0.23400  1.0 3.0
   69    64    66    71   0.86500  1.0 1.0
   69    64    66    71  -0.17500 -1.0 2.0
   69    64    66    71   0.20800  1.0 3.0
   60    51    54    55   0.15000  1.0 3.0
   60    51    54    56   0.15000  1.0 3.0
   60    51    54    64   0.56750  1.0 1.0
   60    51    54    64  -0.07550 -1.0 2.0
   60    51    54    64   0.20000  1.0 3.0
   60    51    57    72   0.62750  1.0 1.0
   60    51    57    72  -0.30950 -1.0 2.0
   60    51    57    72   0.27300  1.0 3.0
   60    51    57    58   0.15000  1.0 3.0
   60    51    57    59   0.15000  1.0 3.0
   52    50    51    54   0.86500  1.0 1.0
   52    50    51    54  -0.17500 -1.0 2.0
   52    50    51    54   0.20800  1.0 3.0
   52    50    51    57   0.86500  1.0 1.0
   52    50    51    57  -0.17500 -1.0 2.0
   52    50    51    57   0.20800  1.0 3.0
   52    50    51    60   0.86500  1.0 1.0
   52    50    51    60  -0.17500 -1.0 2.0
   52    50    51    60   0.20800  1.0 3.0
   52    50    71    66   0.86500  1.0 1.0
   52    50    71    66  -0.17500 -1.0 2.0
   52    50    71    66   0.20800  1.0 3.0
   52    50    71    72   3.69350  1.0 1.0
   52    50    71    72  -1.82950 -1.0 2.0
   52    50    71    73   0.86500  1.0 1.0
   52    50    71    73  -0.17500 -1.0 2.0
   52    50    71    73   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
