* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    209     393
    1     0 S   NP   _N1_     1    28.86170    95.45704   -24.68111
    2     1 S   H    _HN1     2     1.02791   114.07034   -89.50543
    3     1 S   H    _H1_     3     1.02950    75.45821    14.40959
    4     1 S   H    _H2_     4     1.02829    32.04886  -174.92661
    5     1 S   CT   _CA1     5     1.50120   128.21713   119.16157
    6     5 S   HC   _HA1     6     1.09574   105.18775    90.47442
    7     5 S   CO3  _C1_     7     1.53783   112.41805   -29.76190
    8     7 S   O2Z  _O11     8     1.26375   115.01215   -43.67615
    9     7 S   O2Z  _O12     9     1.26236   114.94106   135.37581
   10     5 S   CT   _CB1    10     1.53067   107.41059  -151.56177
   11    10 S   HC   HB11    11     1.09837   109.37012   -49.58429
   12    10 S   HC   HB12    12     1.09812   110.46154    67.01868
   13    10 S   CT   _CG1    13     1.53004   112.61267  -170.53488
   14    13 S   HC   HG11    14     1.09580   110.66783   -65.88556
   15    13 S   HC   HG12    15     1.09669   109.76203    53.36155
   16    13 S   C    _CD1    16     1.51806   112.11754   173.82981
   17    16 S   O    _OE1    17     1.22748   123.22721     8.62416
   18    16 S   N    _N2_    18     1.38628   111.73939  -171.36812
   19    18 S   H    _HN2    19     1.01573   119.04576     1.34930
   20    18 S   CT1  _CA2    20     1.46255   123.45487   178.02385
   21    20 S   HC   _HA2    21     1.09741   109.24265     7.22246
   22    20 S   C    _C2_    22     1.53655   109.03022  -108.36616
   23    22 S   O    _O2_    23     1.23090   122.23955  -149.80490
   24    20 S   CT   _CB2    32     1.53452   111.50538   129.11103
   25    24 S   HC   HB21    33     1.09520   109.55691    57.46618
   26    24 S   HC   HB22    34     1.09455   109.76348   176.32678
   27    22 S   N    _N3_    24     1.38317   113.90726    37.74817
   28    27 S   H    _HN3    25     1.01546   119.61094    -3.32178
   29    24 S   S    _SG2    35     1.83356   110.97633   -63.91996
   30    27 S   CT   _CA3    26     1.45279   123.23382   177.12370
   31    30 S   HC   HA31    27     1.09549   107.51819   -64.59557
   32    30 S   HC   HA32    28     1.09557   107.98417    51.84789
   33    29 S   CT   _C14    36     1.84993   102.13180   174.42051
   34    33 S   OM   _O36    37     1.31858   110.95940   -60.72435
   35    30 S   CO3  _C3_    29     1.52963   114.07856   173.85650
   36    35 S   O2Z  _O31    30     1.26377   116.08740    -0.13417
   37    35 S   O2Z  _O32    31     1.26427   114.41290   179.92087
   38    33 S   CM   _C13    38     1.50879   109.44547    57.36860
   39    38 S   HC   _H7_    39     1.08884   120.04311   -86.91190
   40    38 S   CM   _C12    40     1.33828   120.91229   100.62715
   41    40 S   CT   _C11    41     1.53066   125.09834    -4.12778
   42    41 S   CA   _C9_    42     1.52960    98.07793   154.33340
   43    41 S   CMA  _C18    63     1.56073   110.42341    27.37761
   44    43 S   OM   _O35    64     1.26509   112.72789   158.19963
   45    41 S   CT   _C19    72     1.54983   108.60195   -93.59375
   46    45 S   HC   _H11    73     1.09522   111.89498    68.86438
   47    45 S   HC   _H12    74     1.09767   111.91108   -51.37576
   48    45 S   HC   _H13    75     1.09654   111.59042  -171.05881
   49    42 S   CA   _C8_    43     1.40479   108.91989     9.01284
   50    33 S   CM   _C15    65     1.53900   108.87136   178.91321
   51    49 S   CA   _C7_    44     1.38823   123.17185   175.72534
   52    40 S   OS   _O37    62     1.38633   121.73797   163.14224
   53    50 S   CO4  _C16    66     1.50780   118.92295    80.69969
   54    53 S   O    _O34    67     1.23096   121.00973    99.08538
   55    51 S   CA   _C6_    45     1.40389   117.28435    -1.90803
   56    51 S   CO4  _C20    56     1.48624   121.64467   179.25822
   57    56 S   O    _O38    57     1.22921   119.36128   146.33508
   58    53 S   CT   _C17    68     1.50569   117.48882   -79.65489
   59    58 S   HC   _H8_    69     1.09253   109.65507    95.76938
   60    58 S   HC   _H9_    70     1.09317   110.97943   -25.92616
   61    58 S   HC   _H10    71     1.09391   109.00700  -144.19065
   62    55 S   CA   _C5_    46     1.41364   121.37913     1.41098
   63    55 S   OH   _O39    54     1.37388   121.57069  -178.47453
   64    63 S   HO   _H17    55     0.97334   109.23161     7.72243
   65    56 S   CT   _C21    58     1.50624   119.37787   -34.43133
   66    65 S   HC   _H14    59     1.09252   109.87408    93.22936
   67    65 S   HC   _H15    60     1.09327   111.24574   -29.49038
   68    65 S   HC   _H16    61     1.09445   108.80649  -147.26302
   69    42 S   CA   _C10    47     1.39183   132.02706  -179.19230
   70    62 S   CT   _C4_    50     1.50728   120.36262  -178.30661
   71    70 S   HC   _H3_    51     1.09433   109.84671    86.33306
   72    70 S   HC   _H4_    52     1.09483   111.54973  -152.85979
   73    70 S   HC   _H5_    53     1.09486   111.38816   -34.52615
   74    69 S   OH   _O33    48     1.36682   121.78358     3.68552
   75    74 S   HO   _H6_    49     0.97601   107.88100    16.05774
  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   8   5   4   3
  12   6   2   1   1  10   4  13  15  17  12   3   7   2   1   1
  10   6  13   3   5   4  12   7   4   3   2   1   1   9   3   1
   3   2   1   1   6   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    50    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    43    44    50    53    54    58  
   38    39    40    43    50    53  
   36    37  
   37  
    0  
   39    40    41    42    49    52    43    50    53    45  
   40    41    52    50  
   41    42    49    51    69    52    43    44    50    45    46    47    48  
   42    49    51    62    69    74    52    43    44    50    53    45    46    47    48  
   49    51    55    62    69    74    75    70    56    52    43    44    50    45    46    47    48  
   44    50    53    54    58    45    46    47    48    49    52    69  
   50    53    45  
   46    47    48    49    50    52    69  
   47    48  
   48  
    0  
   51    55    62    69    74    63    56    57    65    52  
   53    54    58    59    60    61  
   55    62    69    70    63    64    56    57    65    66    67    68    52  
   55    56    69  
   54    58    59    60    61  
   58    59    60    61  
   62    69    74    70    71    72    73    63    64    56    57    65  
   57    65    66    67    68    62    63  
   65    66    67    68  
   59    60    61  
   60    61  
   61  
    0  
   69    74    75    70    71    72    73    63    64  
   64    69    70  
    0  
   66    67    68  
   67    68  
   68  
    0  
   74    75    70    71    72    73  
   71    72    73    74  
   72    73  
   73  
    0  
   75  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.115000   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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   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
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    50   317.000  1.510
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    52   440.000  1.360
   41    42   317.000  1.510
   41    43   270.000  1.512
   41    45   268.000  1.529
   42    49   469.000  1.400
   42    69   469.000  1.400
   49    51   469.000  1.400
   49    52   450.000  1.364
   51    55   469.000  1.400
   51    56   310.000  1.470
   55    62   469.000  1.400
   55    63   450.000  1.364
   62    69   469.000  1.400
   62    70   317.000  1.510
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   63    64   553.000  0.945
   56    57   570.000  1.229
   56    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   43    44   745.000  1.250
   43    50   465.000  1.376
   50    53   320.000  1.462
   53    54   570.000  1.229
   53    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    50    43    70.00000  124.00000
   33    50    53    65.00000  116.34900
   38    33    34    85.00000  110.90400
   38    40    41    70.00000  124.00000
   38    40    52    80.00000  120.01400
   40    38    39    35.00000  120.00000
   40    41    42    70.00000  112.99600
   40    41    43    70.00000  110.12100
   40    41    45    70.00000  112.02700
   40    52    49    90.00000  114.30300
   41    42    49    70.00000  120.00000
   41    42    69    70.00000  120.00000
   41    43    44    85.00000  112.85300
   41    43    50    65.00000  122.18000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    51    63.00000  120.00000
   42    49    52    70.00000  120.00000
   42    69    62    63.00000  120.00000
   42    69    74    70.00000  120.00000
   49    51    55    63.00000  120.00000
   49    51    56    60.00000  119.52600
   51    55    62    63.00000  120.00000
   51    55    63    70.00000  120.00000
   51    56    57    75.00000  123.78400
   51    56    65    65.00000  115.47100
   55    62    69    63.00000  120.00000
   55    62    70    70.00000  120.00000
   55    63    64    35.00000  113.00000
   62    69    74    70.00000  120.00000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   69    42    49    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    62    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   63    55    62    70.00000  120.00000
   56    51    55    60.00000  119.52600
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   65    56    57    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    40    41    85.00000  112.85300
   52    49    51    70.00000  120.00000
   43    41    42    70.00000  112.99600
   43    50    53    60.00000  125.92000
   50    33    34    85.00000  110.90400
   50    33    38    70.00000  110.12100
   50    43    44    65.00000  137.10300
   50    53    54    80.00000  123.72100
   50    53    58    65.00000  118.62400
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   58    53    54    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   45    41    42    70.00000  112.17500
   45    41    43    70.00000  112.02700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  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    50    43   0.42700  1.0 1.0
   29    33    50    43  -0.70350 -1.0 2.0
   29    33    50    43  -0.43150  1.0 3.0
   29    33    50    53   0.09700  1.0 1.0
   29    33    50    53   0.15600 -1.0 2.0
   29    33    50    53  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    52   7.00000 -1.0 2.0
   33    50    53    54  -0.64400  1.0 1.0
   33    50    53    54   0.26850 -1.0 2.0
   33    50    53    58   0.25700  1.0 1.0
   33    50    53    58   0.66200 -1.0 2.0
   33    50    53    58   0.04450  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    50    43   0.39000  1.0 1.0
   34    33    50    43  -0.05800 -1.0 2.0
   34    33    50    43  -0.55150  1.0 3.0
   34    33    50    53   0.09700  1.0 1.0
   34    33    50    53   0.15600 -1.0 2.0
   34    33    50    53  -0.50800  1.0 3.0
   38    33    50    43  -0.28300  1.0 1.0
   38    33    50    43   0.26700 -1.0 2.0
   38    33    50    43  -0.63300  1.0 3.0
   38    33    50    53   0.09700  1.0 1.0
   38    33    50    53   0.15600 -1.0 2.0
   38    33    50    53  -0.50800  1.0 3.0
   38    40    41    42   1.44450  1.0 1.0
   38    40    41    42   0.06600 -1.0 2.0
   38    40    41    42   0.29250  1.0 3.0
   38    40   -41    43  -0.28300  1.0 1.0
   38    40   -41    43   0.26700 -1.0 2.0
   38    40   -41    43  -0.63300  1.0 3.0
   38    40    41    45   0.09850  1.0 1.0
   38    40    41    45   0.15250 -1.0 2.0
   38    40    41    45  -0.50650  1.0 3.0
   38    40    52    49   2.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    52   7.00000 -1.0 2.0
   40    41   -42    49   0.18050 -1.0 2.0
   40    41    42    69   0.18050 -1.0 2.0
   40    41    43    44   0.09700  1.0 1.0
   40    41    43    44   0.15600 -1.0 2.0
   40    41    43    44  -0.50800  1.0 3.0
   40    41    43    50  -0.28300  1.0 1.0
   40    41    43    50   0.26700 -1.0 2.0
   40    41    43    50  -0.63300  1.0 3.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    47   0.15000  1.0 3.0
   40    41    45    48   0.15000  1.0 3.0
   41    40   -52    49   2.00000 -1.0 2.0
   41    42    49    51   3.62500 -1.0 2.0
   41    42   -49    52   3.62500 -1.0 2.0
   41    42    69    62   3.62500 -1.0 2.0
   41    42    69    74   3.62500 -1.0 2.0
   41    43   -50    33   7.00000 -1.0 2.0
   41    43    50    53   7.00000 -1.0 2.0
   42    41    43    44   0.09700  1.0 1.0
   42    41    43    44   0.15600 -1.0 2.0
   42    41    43    44  -0.50800  1.0 3.0
   42    41    43    50   1.44450  1.0 1.0
   42    41    43    50   0.06600 -1.0 2.0
   42    41    43    50   0.29250  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    47   0.43200  1.0 3.0
   42    41    45    48   0.43200  1.0 3.0
   42    49    51    55   3.62500 -1.0 2.0
   42    49    51    56   3.62500 -1.0 2.0
   42    49   -52    40   0.00000  1.0 1.0
   42    69    74    75   0.84100 -1.0 2.0
   49    42    69    62   3.62500 -1.0 2.0
   49    42    69    74   3.62500 -1.0 2.0
   49    51   -55    62   3.62500 -1.0 2.0
   49    51    55    63   3.62500 -1.0 2.0
   49    51    56    57   1.05000 -1.0 2.0
   49    51    56    65   2.26350  1.0 1.0
   49    51    56    65   0.76750 -1.0 2.0
   49    51    56    65   0.22500  1.0 3.0
   51    49    52    40   0.00000  1.0 1.0
   51    55    62    69   3.62500 -1.0 2.0
   51    55    62    70   3.62500 -1.0 2.0
   51    55    63    64   0.84100 -1.0 2.0
   51    56    65    66   0.00000  1.0 1.0
   51    56    65    67   0.00000  1.0 1.0
   51    56    65    68   0.00000  1.0 1.0
   55    51    56    57   1.05000 -1.0 2.0
   55    51    56    65   2.26350  1.0 1.0
   55    51    56    65   0.76750 -1.0 2.0
   55    51    56    65   0.22500  1.0 3.0
   55    62   -69    42   3.62500 -1.0 2.0
   55    62    69    74   3.62500 -1.0 2.0
   55    62    70    71   0.00000  1.0 1.0
   55    62    70    72   0.00000  1.0 1.0
   55    62    70    73   0.00000  1.0 1.0
   62    55    63    64   0.84100 -1.0 2.0
   62    69    74    75   0.84100 -1.0 2.0
   69    42   -49    51   3.62500 -1.0 2.0
   69    42    49    52   3.62500 -1.0 2.0
   69    62    70    71   0.00000  1.0 1.0
   69    62    70    72   0.00000  1.0 1.0
   69    62    70    73   0.00000  1.0 1.0
   70    62    69    42   3.62500 -1.0 2.0
   70    62    69    74   3.62500 -1.0 2.0
   63    55    62    69   3.62500 -1.0 2.0
   63    55    62    70   3.62500 -1.0 2.0
   56    51    55    62   3.62500 -1.0 2.0
   56    51    55    63   3.62500 -1.0 2.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    67   0.00000  1.0 1.0
   57    56    65    68   0.00000  1.0 1.0
   52    40   -41    42   0.09700  1.0 1.0
   52    40   -41    42   0.15600 -1.0 2.0
   52    40   -41    42  -0.50800  1.0 3.0
   52    40    41    43   0.09700  1.0 1.0
   52    40    41    43   0.15600 -1.0 2.0
   52    40    41    43  -0.50800  1.0 3.0
   52    40    41    45   0.09700  1.0 1.0
   52    40    41    45   0.15600 -1.0 2.0
   52    40    41    45  -0.50800  1.0 3.0
   52    49    51    55   3.62500 -1.0 2.0
   52    49    51    56   3.62500 -1.0 2.0
   43    41    42    49   0.18050 -1.0 2.0
   43    41    42    69   0.18050 -1.0 2.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    48   0.15000  1.0 3.0
   43    50    53    54   1.00000 -1.0 2.0
   43    50    53    58  -0.33500  1.0 1.0
   43    50    53    58   1.06600 -1.0 2.0
   43    50    53    58  -0.14000  1.0 3.0
   44    43    50    33   7.00000 -1.0 2.0
   44    43    50    53   7.00000 -1.0 2.0
   50    33    38    39   0.00000  1.0 1.0
   50    33   -38    40  -0.28300  1.0 1.0
   50    33   -38    40   0.26700 -1.0 2.0
   50    33   -38    40  -0.63300  1.0 3.0
   50    53    58    59   0.00000  1.0 1.0
   50    53    58    60   0.00000  1.0 1.0
   50    53    58    61   0.00000  1.0 1.0
   54    53    58    59   0.00000  1.0 1.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    61   0.00000  1.0 1.0
   45    41    42    49   0.04150 -1.0 2.0
   45    41    42    69   0.04150 -1.0 2.0
   45    41    43    44   0.09700  1.0 1.0
   45    41    43    44   0.15600 -1.0 2.0
   45    41    43    44  -0.50800  1.0 3.0
   45    41    43    50   0.09850  1.0 1.0
   45    41    43    50   0.15250 -1.0 2.0
   45    41    43    50  -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    52    40    38   1.10000 -1.0 2.0
   49    69    42    41   4.00000 -1.0 2.0
   51    52    49    42   4.00000 -1.0 2.0
   55    56    51    49   4.00000 -1.0 2.0
   62    63    55    51   4.00000 -1.0 2.0
   69    70    62    55   4.00000 -1.0 2.0
   62    74    69    42   4.00000 -1.0 2.0
   51    65    56    57  10.50000 -1.0 2.0
   41    44    43    50   1.10000 -1.0 2.0
   33    53    50    43   1.10000 -1.0 2.0
   50    58    53    54  10.50000 -1.0 2.0
END
