* LIGAND DATABASE FILE (OPLS2005)
*
001      76    75    130    186     377
    1     0 S   NP   _N1_     1    28.89011    92.38266   -23.10302
    2     1 S   H    _HN1     2     1.02781   102.06308   -95.54498
    3     1 S   H    _H1_     3     1.02962    94.04859    14.18453
    4     1 S   H    _H2_     4     1.02825    17.55601   152.82936
    5     1 S   CT   _CA1     5     1.50154   127.50976   133.77327
    6     5 S   HC   _HA1     6     1.09567   105.21319    65.28260
    7     5 S   CO3  _C1_     7     1.53802   112.48070   -54.93737
    8     7 S   O2Z  _O11     8     1.26371   115.01638   -39.59309
    9     7 S   O2Z  _O12     9     1.26239   115.00142   139.61812
   10     5 S   CT   _CB1    10     1.53065   107.36786  -176.67840
   11    10 S   HC   HB11    11     1.09825   109.37896   -48.93690
   12    10 S   HC   HB12    12     1.09829   110.37135    67.63724
   13    10 S   CT   _CG1    13     1.52990   112.73695  -169.99773
   14    13 S   HC   HG11    14     1.09532   110.47221   -63.28916
   15    13 S   HC   HG12    15     1.09647   110.04901    55.97852
   16    13 S   C    _CD1    16     1.51757   112.20333   176.21059
   17    16 S   O    _OE1    17     1.22705   123.22925    -4.74904
   18    16 S   N    _N2_    18     1.38634   111.70676   175.71902
   19    18 S   H    _HN2    19     1.01571   119.07841     2.02420
   20    18 S   CT1  _CA2    20     1.46152   123.22587  -179.53987
   21    20 S   HC   _HA2    21     1.09584   109.20813    -3.32296
   22    20 S   C    _C2_    22     1.53425   108.84422  -118.63577
   23    22 S   O    _O2_    23     1.23060   122.25453  -149.25108
   24    20 S   CT   _CB2    32     1.53374   111.52169   118.89929
   25    24 S   HC   HB21    33     1.09651   109.60340    61.00517
   26    24 S   HC   HB22    34     1.09556   111.24822   178.67751
   27    22 S   N    _N3_    24     1.38336   113.66036    38.24692
   28    27 S   H    _HN3    25     1.01626   119.48906    -3.49928
   29    24 S   S    _SG2    35     1.82672   113.64908   -58.33973
   30    27 S   CT   _CA3    26     1.45282   123.12588   176.95111
   31    30 S   HC   HA31    27     1.09554   107.51043   -63.98223
   32    30 S   HC   HA32    28     1.09559   107.95718    52.41491
   33    29 S   CT   _C18    36     1.82426    99.74664   -76.46059
   34    33 S   HC   _H21    37     1.09228   109.57086    48.92828
   35    33 S   HC   _H22    38     1.09440   108.66462   -69.44160
   36    30 S   CO3  _C3_    29     1.52932   114.16552   174.39867
   37    36 S   O2Z  _O31    30     1.26362   116.07645    -1.31314
   38    36 S   O2Z  _O32    31     1.26432   114.40194   178.74961
   39    33 S   CM   _C17    39     1.50236   108.80644   171.68972
   40    39 S   HC   _H20    40     1.09060   115.25397    53.63978
   41    39 S   CMA  _C16    41     1.35390   126.79241  -126.00113
   42    41 S   OM   _O38    42     1.26732   126.42770    -2.83559
   43    41 S   OS   _O37    43     1.41814   109.88156   178.33282
   44    43 S   CT   _C15    44     1.43490   112.89099  -128.42508
   45    44 S   HC   _H18    45     1.09905   111.00047    28.61772
   46    44 S   HC   _H19    46     1.09613   108.50908   -89.14330
   47    44 S   CT   _C6_    47     1.55188   109.72425   149.33698
   48    47 S   CT   _C5_    48     1.55744   111.78107    57.98088
   49    48 S   HC   _H6_    49     1.09768   109.56438   -61.03405
   50    48 S   HC   _H7_    50     1.09774   109.52469  -176.50610
   51    47 S   CT   _C7_    55     1.55692   109.36906   -59.87377
   52    51 S   HC   _H8_    56     1.09654   110.77685  -176.00943
   53    51 S   HC   _H9_    57     1.09728   110.20400    64.46053
   54    47 S   CT   _C11    66     1.54936   107.57173  -179.07338
   55    54 S   HC   _H13    67     1.09719   110.56491    61.39816
   56    54 S   HC   _H14    68     1.09652   110.61209   -57.96067
   57    48 S   CT   _C4_    51     1.52373   115.71869    61.22924
   58    57 S   HC   _H3_    52     1.09341   111.73467    61.18876
   59    57 S   HC   _H4_    53     1.09525   109.67715  -179.88809
   60    57 S   HC   _H5_    54     1.09330   111.74792   -60.92813
   61    51 S   OS   _O33    58     1.43889   110.14461   -56.41115
   62    54 S   OS   _O35    69     1.43771   110.14835  -178.47813
   63    61 S   CO4  _C8_    59     1.35840   116.02746   165.62019
   64    63 S   O    _O34    60     1.22056   127.03282     2.45368
   65    62 S   CO4  _C12    70     1.35879   115.58113   179.35776
   66    65 S   O    _O36    71     1.22046   127.00810    -0.09487
   67    63 S   CM   _C9_    61     1.47744   107.53842  -177.61829
   68    67 S   HC   _H10    62     1.08406   118.88473    -0.05234
   69    65 S   CM   _C13    72     1.47754   107.56877   179.95154
   70    69 S   HC   _H15    73     1.08409   118.88083    -0.15577
   71    67 S   CM   _C10    63     1.33645   120.21711   179.96044
   72    71 S   HC   _H11    64     1.08504   120.11618   179.77619
   73    71 S   HC   _H12    65     1.08465   122.34537    -0.15702
   74    69 S   CM   _C14    74     1.33653   120.19240   179.85329
   75    74 S   HC   _H16    75     1.08501   120.17447   179.98022
   76    74 S   HC   _H17    76     1.08493   122.33542     0.01978
  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   6   5   4   3
   7   4   3   2   1   1   5   3   6   2   7  15   5   4  17  14
   7   6  11   4   3   8   3   2   3   2   1   1   5   5   6   3
   6   3   4   3   4   3   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44  
   41    42    43  
   42    43    44    45    46    47  
   43    44  
   44    45    46    47    48    51    54  
   45    46    47    48    49    50    57    51    52    53    61    54    55    56    62  
   46    47    48    51    54  
   47    48    51    54  
   48    49    50    57    58    59    60    51    52    53    61    63    54    55    56    62    65  
   49    50    57    58    59    60    51    52    53    61    54    55    56    62  
   50    57    58    59    60    51    54  
   57    58    59    60    51    54  
   52    53    61    63    64    67    54    55    56    62    57  
   53    61    63    54  
   61    63    54  
   55    56    62    65    66    69    57    61  
   56    62    65  
   62    65  
   58    59    60  
   59    60  
   60  
    0  
   63    64    67    68    71  
   65    66    69    70    74  
   64    67    68    71    72    73  
   67    68    71  
   66    69    70    74    75    76  
   69    70    74  
   68    71    72    73  
   71    72    73  
   70    74    75    76  
   74    75    76  
   72    73  
   73  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   340.000  1.080
   39    41   465.000  1.376
   41    42   745.000  1.250
   41    43   440.000  1.360
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    51   268.000  1.529
   47    54   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   320.000  1.410
   61    63   214.000  1.327
   63    64   570.000  1.229
   63    67   320.000  1.462
   67    68   340.000  1.080
   67    71   549.000  1.340
   71    72   340.000  1.080
   71    73   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   320.000  1.410
   62    65   214.000  1.327
   65    66   570.000  1.229
   65    69   320.000  1.462
   69    70   340.000  1.080
   69    74   549.000  1.340
   74    75   340.000  1.080
   74    76   340.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    35.00000  117.00000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  137.10300
   39    41    43    80.00000  120.01400
   41    39    40    40.00000  120.50800
   41    43    44    90.00000  111.18400
   43    41    42    65.00000  121.00000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    58.35000  112.70000
   44    47    51    58.35000  112.70000
   44    47    54    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    57    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    61    50.00000  109.50000
   47    54    55    37.50000  110.70000
   47    54    56    37.50000  110.70000
   47    54    62    50.00000  109.50000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    60    37.50000  110.70000
   50    48    49    33.00000  107.80000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    47    48    58.35000  112.70000
   51    61    63    83.00000  116.90000
   53    51    52    33.00000  107.80000
   61    51    52    35.00000  109.50000
   61    51    53    35.00000  109.50000
   61    63    64    83.00000  123.40000
   61    63    67    90.00000  111.29400
   63    67    68    40.00000  117.72500
   63    67    71    65.00000  118.96000
   67    63    64    80.00000  123.72100
   67    71    72    35.00000  120.00000
   67    71    73    35.00000  120.00000
   71    67    68    35.00000  120.00000
   73    71    72    35.00000  117.00000
   54    47    48    58.35000  112.70000
   54    47    51    58.35000  112.70000
   54    62    65    83.00000  116.90000
   56    54    55    33.00000  107.80000
   62    54    55    35.00000  109.50000
   62    54    56    35.00000  109.50000
   62    65    66    83.00000  123.40000
   62    65    69    90.00000  111.29400
   65    69    70    40.00000  117.72500
   65    69    74    65.00000  118.96000
   69    65    66    80.00000  123.72100
   69    74    75    35.00000  120.00000
   69    74    76    35.00000  120.00000
   74    69    70    35.00000  120.00000
   76    74    75    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    43   7.00000 -1.0 2.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.33100  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    43    44  -2.26850  1.0 1.0
   39    41    43    44   3.39050 -1.0 2.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    43   7.00000 -1.0 2.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43    44    47  -0.46850  1.0 1.0
   41    43    44    47   0.09300 -1.0 2.0
   41    43    44    47  -0.12850  1.0 3.0
   42    41    43    44   2.00000 -1.0 2.0
   43    44    47    48   0.62750  1.0 1.0
   43    44    47    48  -0.30950 -1.0 2.0
   43    44    47    48   0.27300  1.0 3.0
   43    44    47    51   0.62750  1.0 1.0
   43    44    47    51  -0.30950 -1.0 2.0
   43    44    47    51   0.27300  1.0 3.0
   43    44    47    54   0.62750  1.0 1.0
   43    44    47    54  -0.30950 -1.0 2.0
   43    44    47    54   0.27300  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    50   0.15000  1.0 3.0
   44    47    48    57   0.56750  1.0 1.0
   44    47    48    57  -0.07550 -1.0 2.0
   44    47    48    57   0.20000  1.0 3.0
   44    47    51    52   0.15000  1.0 3.0
   44    47    51    53   0.15000  1.0 3.0
   44    47    51    61   0.62750  1.0 1.0
   44    47    51    61  -0.30950 -1.0 2.0
   44    47    51    61   0.27300  1.0 3.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    56   0.15000  1.0 3.0
   44    47    54    62   0.62750  1.0 1.0
   44    47    54    62  -0.30950 -1.0 2.0
   44    47    54    62   0.27300  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   45    44    47    54   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    51   0.15000  1.0 3.0
   46    44    47    54   0.15000  1.0 3.0
   47    48    57    58   0.15000  1.0 3.0
   47    48    57    59   0.15000  1.0 3.0
   47    48    57    60   0.15000  1.0 3.0
   47    51    61    63  -0.25900  1.0 1.0
   47    51    61    63  -0.47000 -1.0 2.0
   47    51    61    63   0.11750  1.0 3.0
   47    54    62    65  -0.25900  1.0 1.0
   47    54    62    65  -0.47000 -1.0 2.0
   47    54    62    65   0.11750  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    61   0.62750  1.0 1.0
   48    47    51    61  -0.30950 -1.0 2.0
   48    47    51    61   0.27300  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    62   0.62750  1.0 1.0
   48    47    54    62  -0.30950 -1.0 2.0
   48    47    54    62   0.27300  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    60   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   50    48    57    60   0.15000  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    57   0.56750  1.0 1.0
   51    47    48    57  -0.07550 -1.0 2.0
   51    47    48    57   0.20000  1.0 3.0
   51    47    54    55   0.15000  1.0 3.0
   51    47    54    56   0.15000  1.0 3.0
   51    47    54    62   0.62750  1.0 1.0
   51    47    54    62  -0.30950 -1.0 2.0
   51    47    54    62   0.27300  1.0 3.0
   51    61    63    64   3.00000 -1.0 2.0
   51    61    63    67   2.00000 -1.0 2.0
   52    51    61    63   0.08050  1.0 3.0
   53    51    61    63   0.08050  1.0 3.0
   61    63    67    68   1.63100 -1.0 2.0
   61    63    67    71  -0.56150  1.0 1.0
   61    63    67    71   2.19150 -1.0 2.0
   63    67    71    72   7.00000 -1.0 2.0
   63    67    71    73   7.00000 -1.0 2.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    71   1.00000 -1.0 2.0
   68    67    71    72   7.00000 -1.0 2.0
   68    67    71    73   7.00000 -1.0 2.0
   54    47    48    49   0.15000  1.0 3.0
   54    47    48    50   0.15000  1.0 3.0
   54    47    48    57   0.56750  1.0 1.0
   54    47    48    57  -0.07550 -1.0 2.0
   54    47    48    57   0.20000  1.0 3.0
   54    47    51    52   0.15000  1.0 3.0
   54    47    51    53   0.15000  1.0 3.0
   54    47    51    61   0.62750  1.0 1.0
   54    47    51    61  -0.30950 -1.0 2.0
   54    47    51    61   0.27300  1.0 3.0
   54    62    65    66   3.00000 -1.0 2.0
   54    62    65    69   2.00000 -1.0 2.0
   55    54    62    65   0.08050  1.0 3.0
   56    54    62    65   0.08050  1.0 3.0
   62    65    69    70   1.63100 -1.0 2.0
   62    65    69    74  -0.56150  1.0 1.0
   62    65    69    74   2.19150 -1.0 2.0
   65    69    74    75   7.00000 -1.0 2.0
   65    69    74    76   7.00000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    74   1.00000 -1.0 2.0
   70    69    74    75   7.00000 -1.0 2.0
   70    69    74    76   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   42    43    41    39  15.00000 -1.0 2.0
   61    67    63    64  10.50000 -1.0 2.0
   63    68    67    71  15.00000 -1.0 2.0
   72    73    71    67  15.00000 -1.0 2.0
   62    69    65    66  10.50000 -1.0 2.0
   65    70    69    74  15.00000 -1.0 2.0
   75    76    74    69  15.00000 -1.0 2.0
END
