* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    129    211     384
    1     0 S   NP   _N1_     1    28.76816    96.12397   -23.41672
    2     1 S   H    _HN1     2     1.02789   106.80785   -99.13671
    3     1 S   H    _H1_     3     1.02949    74.22438     5.74883
    4     1 S   H    _H2_     4     1.02827    35.37040   163.45434
    5     1 S   CT   _CA1     5     1.50122   136.07455   108.97504
    6     5 S   HC   _HA1     6     1.09574   105.17111    89.52078
    7     5 S   CO3  _C1_     7     1.53769   112.46699   -30.68702
    8     7 S   O2Z  _O11     8     1.26373   114.99644   -42.28314
    9     7 S   O2Z  _O12     9     1.26237   114.94006   136.75658
   10     5 S   CT   _CB1    10     1.53064   107.40844  -152.50822
   11    10 S   HC   HB11    11     1.09838   109.32346   -49.53721
   12    10 S   HC   HB12    12     1.09812   110.47318    67.05717
   13    10 S   CT   _CG1    13     1.53010   112.63929  -170.49271
   14    13 S   HC   HG11    14     1.09575   110.69318   -67.05996
   15    13 S   HC   HG12    15     1.09671   109.73218    52.19175
   16    13 S   C    _CD1    16     1.51807   112.07163   172.64603
   17    16 S   O    _OE1    17     1.22748   123.20604    10.49777
   18    16 S   N    _N2_    18     1.38644   111.76683  -169.56925
   19    18 S   H    _HN2    19     1.01575   119.02455     1.11698
   20    18 S   CT1  _CA2    20     1.46258   123.39512   176.81248
   21    20 S   HC   _HA2    21     1.09744   109.27608     5.36714
   22    20 S   C    _C2_    22     1.53665   108.78242  -110.02609
   23    22 S   O    _O2_    23     1.23064   122.30936  -149.61297
   24    20 S   CT   _CB2    32     1.53483   111.66655   127.27412
   25    24 S   HC   HB21    33     1.09540   109.56872    56.31015
   26    24 S   HC   HB22    34     1.09298   109.66377   174.95438
   27    22 S   N    _N3_    24     1.38345   113.80875    37.92513
   28    27 S   H    _HN3    25     1.01552   119.58125    -3.31989
   29    24 S   S    _SG2    35     1.83404   110.87314   -63.85197
   30    27 S   CT   _CA3    26     1.45275   123.26407   177.16690
   31    30 S   HC   HA31    27     1.09548   107.51553   -64.68095
   32    30 S   HC   HA32    28     1.09556   107.99018    51.76995
   33    29 S   CT   _C21    36     1.86099   102.96491  -165.68629
   34    30 S   CO3  _C3_    29     1.52971   114.05646   173.77156
   35    34 S   O2Z  _O31    30     1.26383   116.08495    -0.35608
   36    34 S   O2Z  _O32    31     1.26430   114.41356   179.70064
   37    33 S   CO4  _C17    37     1.52382   110.64022    67.37047
   38    37 S   O    _O22    38     1.22669   125.30509    -2.44056
   39    33 S   CO3  _C19    71     1.56311   102.83299   -51.22786
   40    39 S   O2Z  _O20    72     1.26551   115.84358   104.09743
   41    39 S   O2Z  _O24    73     1.26527   116.14881   -75.99998
   42    37 S   CA   _C10    39     1.48012   115.93533   178.03059
   43    42 S   CA   _C9_    40     1.39787   118.85038   -28.86370
   44    43 S   CA   _C5_    41     1.40118   119.78766   179.29279
   45    44 S   HA   _H29    42     1.08719   121.11316   179.68348
   46    43 S   CO4  _C16    50     1.48491   121.19742    -3.85742
   47    46 S   O    _O21    51     1.23065   119.33794  -169.30605
   48    44 S   CA   _C4_    43     1.39512   120.19053     0.05595
   49    48 S   HA   _H28    44     1.08641   119.94786  -179.92598
   50    33 S   CT   _C20    52     1.55642   112.38323  -169.65472
   51    50 S   HC   _H34    53     1.09445   107.96638    81.38401
   52    48 S   CA   _C6_    45     1.39299   120.08955     0.48859
   53    52 S   HA   _H30    46     1.08667   119.72294   179.74359
   54    50 S   CA   _C12    54     1.53724   116.97154   -38.95039
   55    42 S   CA   _C14    47     1.40131   121.49239   151.17747
   56    54 S   CA   _C11    55     1.41735   121.89697   102.40987
   57    55 S   OH   _O25    48     1.36845   123.21671     0.16669
   58    57 S   HO   _H38    49     0.97396   108.78504     3.10904
   59    56 S   CA   _C7_    56     1.40733   121.03039   178.56087
   60    59 S   HA   _H31    57     1.08869   120.26905  -179.63846
   61    56 S   CO4  _C18    68     1.48479   123.01438    -2.75428
   62    61 S   O    _O23    69     1.22643   122.16297   165.23386
   63    61 S   HC   _H33    70     1.09879   118.27030   -15.65897
   64    59 S   CA   _C13    58     1.39593   121.03015     1.31492
   65    64 S   CA   _C8_    59     1.39314   118.73673    -1.22860
   66    65 S   HA   _H32    60     1.08761   119.46356  -179.02944
   67    64 S   CT   _C22    64     1.49876   120.56240  -178.79488
   68    67 S   HC   _H35    65     1.09434   110.00124    87.76188
   69    67 S   HC   _H36    66     1.09513   110.96526  -151.75888
   70    67 S   HC   _H37    67     1.09512   110.91473   -32.75077
   71    54 S   CA   _C15    61     1.41007   121.53674   -78.11807
   72    71 S   OH   _O26    62     1.36927   120.00326     0.52823
   73    72 S   HO   _H39    63     0.97218   109.35264   178.46456
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  15   2   1   1  14   5   7   2   1  12  12   9   4   8   3   5
   3   8   3   4   2  12   2  10   1   1  12   4   4   1   1   8
   8   3   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    50    51    54    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    55    46    47    50    51    54    56    71    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    52    55    57    46    50    51    54    39    40    41  
   42    43    55    50    39  
   40    41    42    46    50    51    54  
   41    50  
   50  
   43    44    45    48    52    53    55    57    58    46    47    50  
   44    45    48    49    52    55    57    46    47    50    51    54  
   45    48    49    52    53    55    46    47    50  
   48    49    52    46  
   47    50    51    54    56    71    48    55  
   50    51    54  
   49    52    53    55    57  
   52    53    55  
   51    54    56    59    65    71    72    61  
   54    56    71  
   53    55    57    58  
   55    57  
   56    59    60    64    65    66    71    72    73    61    62    63  
   57    58  
   59    60    64    65    71    72    67    61    62    63  
   58  
    0  
   60    64    65    66    71    67    68    69    70    61    62    63  
   64    65    67    61  
   62    63    64    71  
   63  
    0  
   65    66    71    72    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   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   0.067500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   63   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    50   268.000  1.529
   33    39   317.000  1.522
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    43   469.000  1.400
   42    55   469.000  1.400
   43    44   469.000  1.400
   43    46   310.000  1.470
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    57   450.000  1.364
   57    58   553.000  0.945
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    54   317.000  1.510
   54    56   469.000  1.400
   54    71   469.000  1.400
   56    59   469.000  1.400
   56    61   310.000  1.470
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   61    62   570.000  1.229
   61    63   340.000  1.090
   39    40   656.000  1.250
   39    41   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    70.00000  116.78000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    54    70.00000  112.17500
   33    39    40    70.00000  117.00000
   33    39    41    70.00000  117.00000
   37    42    43    60.00000  119.52600
   37    42    55    60.00000  119.52600
   42    37    38    75.00000  123.78400
   42    43    44    63.00000  120.00000
   42    43    46    60.00000  119.52600
   42    55    52    63.00000  120.00000
   42    55    57    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    75.00000  123.78400
   43    46    50    65.00000  115.47100
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    57    70.00000  120.00000
   55    42    43    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    57    58    35.00000  113.00000
   46    43    44    60.00000  119.52600
   46    50    51    35.00000  109.50000
   46    50    54    70.00000  110.93000
   50    33    37    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    54    56    70.00000  120.00000
   50    54    71    70.00000  120.00000
   54    50    51    35.00000  109.50000
   54    56    59    63.00000  120.00000
   54    56    61    60.00000  119.52600
   54    71    65    63.00000  120.00000
   54    71    72    70.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    64    63.00000  120.00000
   56    61    62    75.00000  123.78400
   56    61    63    35.00000  115.00000
   59    64    65    63.00000  120.00000
   59    64    67    70.00000  120.00000
   64    59    60    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    70.00000  120.00000
   71    54    56    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    64    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   61    56    59    60.00000  119.52600
   63    61    62    35.00000  123.00000
   39    33    37    70.00000  107.85200
   39    33    50    70.00000  109.69300
   41    39    40    80.00000  126.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.30150 -1.0 2.0
   33    37    42    43   2.26350  1.0 1.0
   33    37    42    43   0.76750 -1.0 2.0
   33    37    42    43   0.22500  1.0 3.0
   33    37    42    55   2.26350  1.0 1.0
   33    37    42    55   0.76750 -1.0 2.0
   33    37    42    55   0.22500  1.0 3.0
   33    50    54    56   0.04150 -1.0 2.0
   33    50    54    71   0.04150 -1.0 2.0
   37    33    50    46   0.11950  1.0 1.0
   37    33    50    46   0.20300 -1.0 2.0
   37    33    50    46  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    54   0.56750  1.0 1.0
   37    33    50    54  -0.07550 -1.0 2.0
   37    33    50    54   0.20000  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    41   0.30150 -1.0 2.0
   37    42    43    44   3.62500 -1.0 2.0
   37    42   -43    46   3.62500 -1.0 2.0
   37    42    55    52   3.62500 -1.0 2.0
   37    42    55    57   3.62500 -1.0 2.0
   38    37    42    43   1.05000 -1.0 2.0
   38    37    42    55   1.05000 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43    46    47   1.05000 -1.0 2.0
   42    43    46    50   2.26350  1.0 1.0
   42    43    46    50   0.76750 -1.0 2.0
   42    43    46    50   0.22500  1.0 3.0
   42    55    57    58   0.84100 -1.0 2.0
   43    42    55    52   3.62500 -1.0 2.0
   43    42    55    57   3.62500 -1.0 2.0
   43    44    48    49   3.62500 -1.0 2.0
   43    44   -48    52   3.62500 -1.0 2.0
   43    46   -50    33   0.05850 -1.0 2.0
   43    46   -50    33   0.17250  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    54   0.65300  1.0 1.0
   43    46    50    54  -0.03850 -1.0 2.0
   43    46    50    54   0.33900  1.0 3.0
   44    43    46    47   1.05000 -1.0 2.0
   44    43    46    50   2.26350  1.0 1.0
   44    43    46    50   0.76750 -1.0 2.0
   44    43    46    50   0.22500  1.0 3.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    55   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52   -55    42   3.62500 -1.0 2.0
   48    52    55    57   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55    57    58   0.84100 -1.0 2.0
   53    52    55    42   3.62500 -1.0 2.0
   53    52    55    57   3.62500 -1.0 2.0
   55    42   -43    44   3.62500 -1.0 2.0
   55    42    43    46   3.62500 -1.0 2.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   3.62500 -1.0 2.0
   46    50    54    56   0.04300 -1.0 2.0
   46    50    54    71   0.04300 -1.0 2.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    54   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    42   0.05850 -1.0 2.0
   50    33   -37    42   0.17250  1.0 3.0
   50    33    39    40   0.41150 -1.0 2.0
   50    33    39    41   0.41150 -1.0 2.0
   50    54    56    59   3.62500 -1.0 2.0
   50    54    56    61   3.62500 -1.0 2.0
   50    54    71    65   3.62500 -1.0 2.0
   50    54    71    72   3.62500 -1.0 2.0
   51    50    54    56   0.00000  1.0 1.0
   51    50    54    71   0.00000  1.0 1.0
   54    56    59    60   3.62500 -1.0 2.0
   54    56    59    64   3.62500 -1.0 2.0
   54    56    61    62   1.05000 -1.0 2.0
   54    56    61    63   0.56600 -1.0 2.0
   54    71    72    73   0.84100 -1.0 2.0
   56    54    71    65   3.62500 -1.0 2.0
   56    54    71    72   3.62500 -1.0 2.0
   56    59   -64    65   3.62500 -1.0 2.0
   56    59    64    67   3.62500 -1.0 2.0
   59    56    61    62   1.05000 -1.0 2.0
   59    56    61    63   0.56600 -1.0 2.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    71   3.62500 -1.0 2.0
   59    64    67    68   0.00000  1.0 1.0
   59    64    67    69   0.00000  1.0 1.0
   59    64    67    70   0.00000  1.0 1.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    67   3.62500 -1.0 2.0
   64    65   -71    54   3.62500 -1.0 2.0
   64    65    71    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    54   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    54   -56    59   3.62500 -1.0 2.0
   71    54    56    61   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    71   3.62500 -1.0 2.0
   61    56    59    60   3.62500 -1.0 2.0
   61    56    59    64   3.62500 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    50    46  -0.30950  1.0 1.0
   39    33    50    46   1.11150 -1.0 2.0
   39    33    50    46   0.40350  1.0 3.0
   39    33    50    51  -0.11250  1.0 3.0
   39    33    50    54  -2.95950  1.0 1.0
   39    33    50    54   0.02300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   43    55    42    37   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   52    57    55    42   4.00000 -1.0 2.0
   43    50    46    47  10.50000 -1.0 2.0
   56    71    54    50   4.00000 -1.0 2.0
   59    61    56    54   4.00000 -1.0 2.0
   64    60    59    56   1.10000 -1.0 2.0
   65    67    64    59   4.00000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    72    71    54   4.00000 -1.0 2.0
   56    63    61    62  10.50000 -1.0 2.0
   40    33    39    41  10.50000 -1.0 2.0
END
