* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    139    222     415
    1     0 S   NP   _N1_     1    28.82058    96.27383   -24.50691
    2     1 S   H    _HN1     2     1.02792   112.71576   -97.00788
    3     1 S   H    _H1_     3     1.02949    72.85986     6.19157
    4     1 S   H    _H2_     4     1.02828    34.97555   174.00567
    5     1 S   CT   _CA1     5     1.50119   130.78759   108.67311
    6     5 S   HC   _HA1     6     1.09575   105.17609    93.12855
    7     5 S   CO3  _C1_     7     1.53772   112.44452   -27.08797
    8     7 S   O2Z  _O11     8     1.26375   115.01007   -43.17221
    9     7 S   O2Z  _O12     9     1.26237   114.93350   135.86843
   10     5 S   CT   _CB1    10     1.53064   107.40939  -148.91875
   11    10 S   HC   HB11    11     1.09839   109.32888   -49.65386
   12    10 S   HC   HB12    12     1.09812   110.47459    66.93600
   13    10 S   CT   _CG1    13     1.53014   112.63622  -170.60861
   14    13 S   HC   HG11    14     1.09576   110.69248   -66.77233
   15    13 S   HC   HG12    15     1.09671   109.73608    52.47763
   16    13 S   C    _CD1    16     1.51810   112.06729   172.92729
   17    16 S   O    _OE1    17     1.22750   123.21459    10.13877
   18    16 S   N    _N2_    18     1.38650   111.78915  -169.88683
   19    18 S   H    _HN2    19     1.01580   118.98603     1.18134
   20    18 S   CT1  _CA2    20     1.46214   123.35855   176.82504
   21    20 S   HC   _HA2    21     1.09739   109.28591     5.87777
   22    20 S   C    _C2_    22     1.53633   108.82161  -109.60577
   23    22 S   O    _O2_    23     1.23075   122.24167  -148.88783
   24    20 S   CT   _CB2    32     1.53327   111.65163   127.83894
   25    24 S   HC   HB21    33     1.09529   110.00912    56.94199
   26    24 S   HC   HB22    34     1.09521   110.09068   175.97333
   27    22 S   N    _N3_    24     1.38315   113.82751    38.61782
   28    27 S   H    _HN3    25     1.01557   119.60360    -3.29212
   29    24 S   S    _SG2    35     1.82733   111.48158   -64.26366
   30    27 S   CT   _CA3    26     1.45287   123.27395   177.15724
   31    30 S   HC   HA31    27     1.09548   107.51231   -64.71631
   32    30 S   HC   HA32    28     1.09555   107.99455    51.73933
   33    29 S   CT   _C15    36     1.83075    99.59573  -176.15290
   34    33 S   HC   _H7_    37     1.09561   108.65579    44.58360
   35    30 S   CO3  _C3_    29     1.52974   114.04312   173.73152
   36    35 S   O2Z  _O31    30     1.26382   116.06600    -0.65192
   37    35 S   O2Z  _O32    31     1.26424   114.42137   179.41116
   38    33 S   CM   _C16    38     1.49188   109.47029   -76.25126
   39    38 S   HC   _H16    39     1.08322   122.61590    70.99597
   40    38 S   CMA  _C17    40     1.34285   114.27128  -107.98565
   41    40 S   OM   _O36    41     1.25900   132.66829   177.75145
   42    40 S   CT   _C13    42     1.55600   110.27824    -0.70721
   43    42 S   CT   _C12    43     1.56950   112.56196  -133.21465
   44    43 S   HC   _H5_    44     1.09571   108.29799   -60.48383
   45    33 S   CT   _C14    57     1.55655   117.14112   168.52647
   46    45 S   HC   _H6_    58     1.10239   103.55441  -154.20126
   47    42 S   CT   _C18    70     1.54751   108.41185   104.26092
   48    47 S   HC   _H17    71     1.09044   112.99301  -175.14167
   49    47 S   HC   _H18    72     1.09694   110.92366    65.62725
   50    47 S   HC   _H19    73     1.09449   112.08524   -53.86597
   51    43 S   CM   _C8_    45     1.49884   115.49182   176.24741
   52    43 S   OH   _O37    68     1.43430   110.29713    55.51185
   53    52 S   HO   _H20    69     0.97214   107.33065  -162.22094
   54    51 S   CM   _C9_    46     1.33697   127.01802   126.29664
   55    54 S   CO4  _C10    47     1.46943   106.58513   174.28756
   56    55 S   O    _O33    48     1.21874   125.75028  -179.63256
   57    54 S   CT   _C11    63     1.48374   131.54291    -0.96874
   58    57 S   HC   _H13    64     1.09478   110.60225   133.79831
   59    57 S   HC   _H14    65     1.09323   112.82533    14.04191
   60    55 S   OS   _O34    49     1.36138   108.86092    -1.20853
   61    57 S   OH   _O35    66     1.42151   109.79642  -106.91851
   62    61 S   HO   _H15    67     0.97289   107.49915    62.78717
   63    51 S   CT   _C7_    50     1.48772   121.79013   -56.40992
   64    63 S   HC   _H4_    51     1.09457   112.46338   -55.87289
   65    63 S   CT   _C6_    52     1.52738   114.09768    73.27589
   66    65 S   HC   _H11    53     1.09811   108.92574    46.32383
   67    65 S   HC   _H12    54     1.09944   108.48069   157.29944
   68    65 S   CT   _C5_    55     1.54291   117.41528   -78.03897
   69    68 S   HC   _H3_    56     1.09635   105.52295   151.04628
   70    68 S   CT   _C4_    59     1.54132   108.34158   -95.09940
   71    70 S   HC   _H8_    60     1.09542   111.04706    63.86667
   72    70 S   HC   _H9_    61     1.09566   110.79672   -56.03636
   73    70 S   HC   _H10    62     1.09346   112.04081  -175.29505
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1   9   4  13   4  17  18   7  17   5   6   2
   1   1  16   3   1  11   9   3   6   3   2   6   1   1   7   4
   8   4   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    68    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    65    68    69    45    46    70    47  
   38    39    40    42    68    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    68    45    46    47  
   40    41    42    45  
   41    42    43    44    51    68    45    46    52    47    48    49    50  
   42    43    45    47  
   43    44    51    54    63    65    68    69    45    46    70    52    53    47    48    49    50  
   44    51    54    55    60    63    64    65    68    45    46    57    52    53    47    48    49    50  
   51    54    63    45    52    53    47  
   46    70    71    72    73    52    47    48    49    50    51    63    65    66    67    68    69  
   70    47    65    68    69  
   48    49    50    51    52    68  
   49    50  
   50  
    0  
   54    55    56    60    63    64    65    66    67    68    57    58    59    61    52    53  
   53    54    63  
    0  
   55    56    60    63    64    65    57    58    59    61    62  
   56    60    63    64    65    57    58    59    61  
   60    63    57  
   58    59    61    62    60    63  
   59    61    62  
   61    62  
   63    64    65    66    67    68  
   62  
    0  
   64    65    66    67    68    69    70  
   65    66    67    68  
   66    67    68    69    70    71    72    73  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   317.000  1.510
   43    52   320.000  1.410
   51    54   549.000  1.340
   51    63   317.000  1.510
   54    55   320.000  1.462
   54    57   317.000  1.510
   55    56   570.000  1.229
   55    60   214.000  1.327
   60    63   320.000  1.410
   63    64   340.000  1.090
   63    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    45   268.000  1.529
   68    70   268.000  1.529
   45    46   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   320.000  1.410
   61    62   553.000  0.945
   52    53   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    42    58.35000  112.70000
   33    45    68    58.35000  112.70000
   33    45    46    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    70.00000  112.02700
   42    43    52    50.00000  109.50000
   42    45    68    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    51    54    70.00000  124.00000
   43    51    63    65.00000  117.92700
   43    52    53    55.00000  108.50000
   51    43    44    35.00000  109.50000
   51    54    55    65.00000  118.96000
   51    54    57    70.00000  124.00000
   51    63    60    85.00000  110.90400
   51    63    64    35.00000  109.50000
   51    63    65    70.00000  112.02700
   54    55    56    80.00000  123.72100
   54    55    60    90.00000  111.29400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    61    90.00000  110.39200
   55    60    63    83.00000  116.90000
   60    55    56    83.00000  123.40000
   60    63    64    35.00000  109.50000
   60    63    65    50.00000  109.50000
   63    51    54    70.00000  124.00000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    68    58.35000  112.70000
   65    63    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    45    58.35000  112.70000
   65    68    70    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    45    46    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    37.50000  110.70000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    42    43    58.35000  112.70000
   45    68    69    37.50000  110.70000
   70    68    69    37.50000  110.70000
   70    68    45    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    54    55    65.00000  116.34900
   57    61    62    55.00000  108.50000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   52    43    44    35.00000  109.50000
   52    43    51    90.00000  110.39200
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    42   0.44750  1.0 1.0
   29    33    45    42  -0.17800 -1.0 2.0
   29    33    45    42   0.20200  1.0 3.0
   29    33    45    68   0.44750  1.0 1.0
   29    33    45    68  -0.17800 -1.0 2.0
   29    33    45    68   0.20200  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    42   0.15000  1.0 3.0
   34    33    45    68   0.15000  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   38    33   -45    42   0.34400  1.0 1.0
   38    33   -45    42   0.09450 -1.0 2.0
   38    33   -45    42   0.11100  1.0 3.0
   38    33    45    68   0.34400  1.0 1.0
   38    33    45    68   0.09450 -1.0 2.0
   38    33    45    68   0.11100  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    40    42    43   0.09850  1.0 1.0
   38    40    42    43   0.15250 -1.0 2.0
   38    40    42    43  -0.50650  1.0 3.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.31000  1.0 1.0
   40    42    43    51   0.14700 -1.0 2.0
   40    42    43    51   0.07550  1.0 3.0
   40    42    43    52   1.05650  1.0 1.0
   40    42    43    52   0.15600 -1.0 2.0
   40    42    43    52   0.53150  1.0 3.0
   40    42   -45    33   0.34400  1.0 1.0
   40    42   -45    33   0.09450 -1.0 2.0
   40    42   -45    33   0.11100  1.0 3.0
   40    42    45    68   0.34400  1.0 1.0
   40    42    45    68   0.09450 -1.0 2.0
   40    42    45    68   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    54   0.09850  1.0 1.0
   42    43    51    54   0.15250 -1.0 2.0
   42    43    51    54  -0.50650  1.0 3.0
   42    43    51    63   0.46850  1.0 1.0
   42    43    51    63   0.08550 -1.0 2.0
   42    43    51    63   0.09800  1.0 3.0
   42    43    52    53  -0.11600  1.0 1.0
   42    43    52    53  -0.09450 -1.0 2.0
   42    43    52    53   0.21250  1.0 3.0
   43    42    45    33   0.56750  1.0 1.0
   43    42    45    33  -0.07550 -1.0 2.0
   43    42    45    33   0.20000  1.0 3.0
   43    42    45    68   0.56750  1.0 1.0
   43    42    45    68  -0.07550 -1.0 2.0
   43    42    45    68   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   7.00000 -1.0 2.0
   43    51    54    57   7.00000 -1.0 2.0
   43    51    63    60   0.09700  1.0 1.0
   43    51    63    60   0.15600 -1.0 2.0
   43    51    63    60  -0.50800  1.0 3.0
   43    51    63    64   0.34800  1.0 3.0
   43    51    63    65   0.46850  1.0 1.0
   43    51    63    65   0.08550 -1.0 2.0
   43    51    63    65   0.09800  1.0 3.0
   44    43    51    54   0.00000  1.0 1.0
   44    43    51    63   0.34800  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   51    43    52    53  -0.07800  1.0 1.0
   51    43    52    53  -0.21500 -1.0 2.0
   51    43    52    53  -0.03150  1.0 3.0
   51    54    55    56   1.00000 -1.0 2.0
   51    54   -55    60  -0.56150  1.0 1.0
   51    54   -55    60   2.19150 -1.0 2.0
   51    54    57    58   0.00000  1.0 1.0
   51    54    57    59   0.00000  1.0 1.0
   51    54    57    61   0.67800  1.0 1.0
   51    54    57    61   0.47050 -1.0 2.0
   51    54    57    61  -0.62500  1.0 3.0
   51    63    65    66   0.15000  1.0 3.0
   51    63    65    67   0.15000  1.0 3.0
   51    63    65    68   0.34400  1.0 1.0
   51    63    65    68   0.09450 -1.0 2.0
   51    63    65    68   0.11100  1.0 3.0
   54    51   -63    60   0.39000  1.0 1.0
   54    51   -63    60  -0.05800 -1.0 2.0
   54    51   -63    60  -0.55150  1.0 3.0
   54    51    63    64   0.00000  1.0 1.0
   54    51    63    65   0.09850  1.0 1.0
   54    51    63    65   0.15250 -1.0 2.0
   54    51    63    65  -0.50650  1.0 3.0
   54    55   -60    63   2.00000 -1.0 2.0
   54    57    61    62  -0.07800  1.0 1.0
   54    57    61    62  -0.21500 -1.0 2.0
   54    57    61    62  -0.03150  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    61   0.09700  1.0 1.0
   55    54    57    61   0.15600 -1.0 2.0
   55    54    57    61  -0.50800  1.0 3.0
   55    60   -63    51  -0.82050  1.0 1.0
   55    60   -63    51   0.00600 -1.0 2.0
   55    60   -63    51   0.04400  1.0 3.0
   55    60    63    64   0.08050  1.0 3.0
   55    60    63    65  -0.25900  1.0 1.0
   55    60    63    65  -0.47000 -1.0 2.0
   55    60    63    65   0.11750  1.0 3.0
   56    55    60    63   3.00000 -1.0 2.0
   60    63    65    66   0.23400  1.0 3.0
   60    63    65    67   0.23400  1.0 3.0
   60    63    65    68   0.62750  1.0 1.0
   60    63    65    68  -0.30950 -1.0 2.0
   60    63    65    68   0.27300  1.0 3.0
   63    51   -54    55   7.00000 -1.0 2.0
   63    51    54    57   7.00000 -1.0 2.0
   63    65    68    69   0.15000  1.0 3.0
   63    65    68    45   0.56750  1.0 1.0
   63    65    68    45  -0.07550 -1.0 2.0
   63    65    68    45   0.20000  1.0 3.0
   63    65    68    70   0.56750  1.0 1.0
   63    65    68    70  -0.07550 -1.0 2.0
   63    65    68    70   0.20000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   65    68    45    33   0.56750  1.0 1.0
   65    68    45    33  -0.07550 -1.0 2.0
   65    68    45    33   0.20000  1.0 3.0
   65    68    45    42   0.56750  1.0 1.0
   65    68    45    42  -0.07550 -1.0 2.0
   65    68    45    42   0.20000  1.0 3.0
   65    68    45    46   0.15000  1.0 3.0
   65    68    70    71   0.15000  1.0 3.0
   65    68    70    72   0.15000  1.0 3.0
   65    68    70    73   0.15000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    45   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    45   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   69    68    45    33   0.15000  1.0 3.0
   69    68    45    42   0.15000  1.0 3.0
   69    68    45    46   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40   0.09850  1.0 1.0
   45    33   -38    40   0.15250 -1.0 2.0
   45    33   -38    40  -0.50650  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.34400  1.0 1.0
   45    42    43    51   0.09450 -1.0 2.0
   45    42    43    51   0.11100  1.0 3.0
   45    42    43    52   0.86500  1.0 1.0
   45    42    43    52  -0.17500 -1.0 2.0
   45    42    43    52   0.20800  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    68    70    71   0.15000  1.0 3.0
   45    68    70    72   0.15000  1.0 3.0
   45    68    70    73   0.15000  1.0 3.0
   70    68    45    33   0.56750  1.0 1.0
   70    68    45    33  -0.07550 -1.0 2.0
   70    68    45    33   0.20000  1.0 3.0
   70    68    45    42   0.56750  1.0 1.0
   70    68    45    42  -0.07550 -1.0 2.0
   70    68    45    42   0.20000  1.0 3.0
   70    68    45    46   0.15000  1.0 3.0
   57    54    55    56  -0.64400  1.0 1.0
   57    54    55    56   0.26850 -1.0 2.0
   57    54    55    60  -0.15000  1.0 1.0
   57    54    55    60   0.89550 -1.0 2.0
   57    54    55    60  -0.06900  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   59    57    61    62   0.19450  1.0 3.0
   52    43    51    54   0.67800  1.0 1.0
   52    43    51    54   0.47050 -1.0 2.0
   52    43    51    54  -0.62500  1.0 3.0
   52    43    51    63   0.18000  1.0 1.0
   52    43    51    63   0.16450 -1.0 2.0
   52    43    51    63   0.04450  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.34400  1.0 1.0
   47    42    43    51   0.09450 -1.0 2.0
   47    42    43    51   0.11100  1.0 3.0
   47    42    43    52   0.86500  1.0 1.0
   47    42    43    52  -0.17500 -1.0 2.0
   47    42    43    52   0.20800  1.0 3.0
   47    42    45    33   0.56750  1.0 1.0
   47    42    45    33  -0.07550 -1.0 2.0
   47    42    45    33   0.20000  1.0 3.0
   47    42    45    68   0.56750  1.0 1.0
   47    42    45    68  -0.07550 -1.0 2.0
   47    42    45    68   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    63    51    54   1.10000 -1.0 2.0
   55    57    54    51   1.10000 -1.0 2.0
   54    60    55    56  10.50000 -1.0 2.0
END
