* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    228     416
    1     0 S   NP   _N1_     1    29.14087    93.85479   -23.75472
    2     1 S   H    _HN1     2     1.02832    22.82277   175.11693
    3     1 S   H    _H1_     3     1.02781   106.57942   -88.09707
    4     1 S   H    _H2_     4     1.02951    86.41762    19.98860
    5     1 S   CT   _CA1     5     1.50106   128.95258   133.49983
    6     5 S   HC   _HA1     6     1.09570   105.23762    75.23097
    7     5 S   CO3  _C1_     7     1.53803   112.36658   -45.07849
    8     7 S   O2Z  _O11     8     1.26374   115.00221   -44.21252
    9     7 S   O2Z  _O12     9     1.26232   114.94230   134.94416
   10     5 S   CT   _CB1    10     1.53079   107.43741  -166.75513
   11    10 S   HC   HB11    11     1.09828   109.45743   -49.62668
   12    10 S   HC   HB12    12     1.09823   110.41439    66.98873
   13    10 S   CT   _CG1    13     1.52996   112.58766  -170.62114
   14    13 S   HC   HG11    14     1.09588   110.54610   -63.23160
   15    13 S   HC   HG12    15     1.09655   109.92594    56.03972
   16    13 S   C    _CD1    16     1.51760   112.21564   176.51283
   17    16 S   O    _OE1    17     1.22743   123.24971     2.19678
   18    16 S   N    _N2_    18     1.38655   111.67441  -178.11820
   19    18 S   H    _HN2    19     1.01594   119.09586     1.39185
   20    18 S   CT1  _CA2    20     1.46060   123.18835   179.98022
   21    20 S   HC   _HA2    21     1.09534   109.17685    -8.31583
   22    20 S   C    _C2_    22     1.53421   108.80134  -123.26962
   23    22 S   O    _O2_    23     1.23043   122.26259  -149.66067
   24    20 S   CT   _CB2    32     1.53432   111.84586   114.17301
   25    24 S   HC   HB21    33     1.09667   109.39250    64.38339
   26    24 S   HC   HB22    34     1.09507   110.80576  -178.72804
   27    22 S   N    _N3_    24     1.38342   113.56534    37.85606
   28    27 S   H    _HN3    25     1.01635   119.48551    -3.52337
   29    24 S   S    _SG2    35     1.83167   114.81162   -54.83374
   30    27 S   CT   _CA3    26     1.45287   123.14869   176.94258
   31    30 S   HC   HA31    27     1.09551   107.52594   -64.06774
   32    30 S   HC   HA32    28     1.09559   107.94819    52.34155
   33    29 S   CT   _C8_    36     1.84639   100.65481   -68.47404
   34    33 S   HC   _H4_    37     1.09209   106.53518    46.43110
   35    30 S   CO3  _C3_    29     1.52941   114.13214   174.35653
   36    35 S   O2Z  _O31    30     1.26368   116.06119     0.13270
   37    35 S   O2Z  _O32    31     1.26432   114.41610  -179.81129
   38    33 S   CT   _C7_    38     1.54434   109.65508   -75.86583
   39    38 S   HC   _H3_    39     1.09736   112.01632    12.24568
   40    38 S   CM   _C6_    40     1.51893   105.43972  -106.52008
   41    40 S   CM   _C5_    41     1.35214   119.26826  -169.04003
   42    40 S   CT   _C10    62     1.50711   109.17939     7.00975
   43    42 S   HC   _H5_    63     1.09673   108.75694    90.38449
   44    41 S   C3T  _C15    42     1.50329   117.65228     3.97345
   45    41 S   CT   _C4_    58     1.50368   124.25774  -178.93504
   46    45 S   HC   _H6_    59     1.09474   110.49155   125.63674
   47    45 S   HC   _H7_    60     1.09108   113.59243     7.51131
   48    45 S   HC   _H8_    61     1.09454   110.29386  -114.14163
   49    33 S   CT   _C9_    64     1.55997   114.37791   166.53153
   50    42 S   OH   _O33    73     1.41471   113.43853  -148.45824
   51    50 S   HO   _H9_    74     0.97194   107.63351  -178.62371
   52    44 S   C3T  _C16    43     1.52454   114.77378   -98.21961
   53    52 S   HC   _H16    44     1.08334   119.30138   139.23701
   54    52 S   HC   _H17    45     1.08469   119.00164    -6.69152
   55    44 S   CT   _C14    49     1.53679   112.98332    43.62784
   56    49 S   CT   _C11    65     1.55189   109.11471  -154.40942
   57    56 S   HC   _H10    66     1.09627   110.61232    61.64569
   58    56 S   HC   _H11    67     1.09378   112.57130   -58.58886
   59    56 S   HC   _H12    68     1.09586   111.45172  -179.09604
   60    49 S   CT   _C12    69     1.53934   115.39786   -34.58993
   61    60 S   HC   _H13    70     1.09577   111.00815   -54.27040
   62    60 S   HC   _H14    71     1.09614   111.11936  -173.79758
   63    60 S   HC   _H15    72     1.09470   112.34409    67.08541
   64    44 S   C3T  _C17    46     1.51697   121.71522  -165.80585
   65    64 S   HC   _H18    47     1.08214   120.71184    -4.92163
   66    64 S   HC   _H19    48     1.08502   118.55863  -151.13715
   67    38 S   CO4  _C13    50     1.53060   114.34052   132.91299
   68    67 S   O    _O34    51     1.23268   121.79995   -26.36395
   69    55 S   CT   _C18    52     1.53180   110.81607    76.76993
   70    69 S   HC   _H20    53     1.09576   110.84776    60.82442
   71    69 S   HC   _H21    54     1.09493   112.01434   -60.08926
   72    69 S   HC   _H22    55     1.09617   111.19296   179.22722
   73    55 S   OH   _O35    56     1.42765   110.97290  -162.83162
   74    73 S   HO   _H23    57     0.97321   107.81703  -177.90034
  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  10   5   4   3
  20   8   2   1   1  16   7  18  19  15   5  19   6   2   1   1
  11   3   1   9   5   4  11   7   3   2   1   3   2   1   1   5
   1   1   7   2   5   3   2   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    67    42    49    56    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    67    68    42    43    49    56    57    58    59    60    61    62    63    50  
   38    39    40    67    42    49    56    60  
   36    37  
   37  
    0  
   39    40    41    44    55    67    68    69    73    45    42    43    49    56    60    50  
   40    41    55    67    68    42    49  
   41    44    52    64    55    67    68    45    46    47    48    42    43    49    56    60    50    51  
   44    52    53    54    64    65    66    55    67    69    73    45    46    47    48    42    43    49    50  
   43    49    56    57    58    59    60    61    62    63    50    51    44    45    67  
   49    56    60    50    51  
   52    53    54    64    65    66    55    67    68    69    70    71    72    73    74    45    46    47    48  
   46    47    48    52    55    64  
   47    48  
   48  
    0  
   56    57    58    59    60    61    62    63    50    51    67  
   51    56    60  
    0  
   53    54    64    65    66    55    67    69    73  
   54    64    65    66    55  
   64    65    66    55  
   67    68    69    70    71    72    73    74    64    65    66  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    69    73  
   66  
    0  
   68    69    70    71    72    73    74  
   69    73  
   70    71    72    73    74  
   71    72    73  
   72    73  
   73  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   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   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    67   317.000  1.522
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    44   305.000  1.480
   41    45   317.000  1.510
   44    52   260.000  1.509
   44    64   260.000  1.509
   44    55   275.000  1.510
   52    53   340.000  1.088
   52    54   340.000  1.088
   52    64   260.000  1.509
   64    65   340.000  1.088
   64    66   340.000  1.088
   55    67   317.000  1.522
   55    69   268.000  1.529
   55    73   320.000  1.410
   67    68   570.000  1.229
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    50   320.000  1.410
   49    56   268.000  1.529
   49    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    67    63.00000  111.10000
   33    49    42    58.35000  112.70000
   33    49    56    58.35000  112.70000
   33    49    60    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    70.00000  124.00000
   38    40    42    65.00000  117.92700
   38    67    55    70.00000  116.00000
   38    67    68    80.00000  120.40000
   40    38    39    35.00000  109.50000
   40    41    44    55.00000  125.06700
   40    41    45    70.00000  124.00000
   40    42    43    35.00000  109.50000
   40    42    49    70.00000  112.02700
   40    42    50    90.00000  110.39200
   41    44    52    60.00000  120.58800
   41    44    64    60.00000  120.58800
   41    44    55    65.00000  117.55000
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   44    52    53    37.50000  117.20000
   44    52    54    37.50000  117.20000
   44    52    64    10.00000   60.00500
   44    64    52    10.00000   60.00500
   44    64    65    37.50000  117.20000
   44    64    66    37.50000  117.20000
   44    55    67    63.00000  111.10000
   44    55    69    70.00000  112.37300
   44    55    73    50.00000  109.50000
   52    64    65    37.50000  117.20000
   52    64    66    37.50000  117.20000
   54    52    53    35.00000  114.30000
   64    44    52    10.00000   60.00500
   64    52    53    37.50000  117.20000
   64    52    54    37.50000  117.20000
   66    64    65    35.00000  114.30000
   55    44    52    60.00000  120.94000
   55    44    64    60.00000  120.94000
   55    67    68    80.00000  120.40000
   55    69    70    37.50000  110.70000
   55    69    71    37.50000  110.70000
   55    69    72    37.50000  110.70000
   55    73    74    55.00000  108.50000
   67    38    39    35.00000  109.50000
   67    38    40    70.00000  109.06800
   69    55    67    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    55    67    90.00000  109.61100
   73    55    69    50.00000  109.50000
   45    41    44    65.00000  117.92700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   42    40    41    70.00000  124.00000
   42    49    56    58.35000  112.70000
   42    49    60    58.35000  112.70000
   42    50    51    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    63    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    49    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   50    42    43    35.00000  109.50000
   50    42    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    67   0.56750  1.0 1.0
   29    33    38    67  -0.07550 -1.0 2.0
   29    33    38    67   0.20000  1.0 3.0
   29    33    49    42   0.44750  1.0 1.0
   29    33    49    42  -0.17800 -1.0 2.0
   29    33    49    42   0.20200  1.0 3.0
   29    33    49    56   0.44750  1.0 1.0
   29    33    49    56  -0.17800 -1.0 2.0
   29    33    49    56   0.20200  1.0 3.0
   29    33    49    60   0.44750  1.0 1.0
   29    33    49    60  -0.17800 -1.0 2.0
   29    33    49    60   0.20200  1.0 3.0
   33    38    40    41   0.09850  1.0 1.0
   33    38    40    41   0.15250 -1.0 2.0
   33    38    40    41  -0.50650  1.0 3.0
   33    38   -40    42   0.46850  1.0 1.0
   33    38   -40    42   0.08550 -1.0 2.0
   33    38   -40    42   0.09800  1.0 3.0
   33    38    67    55   0.60050  1.0 1.0
   33    38    67    55   0.05600 -1.0 2.0
   33    38    67    55   0.26150  1.0 3.0
   33    38    67    68   0.30150 -1.0 2.0
   33    49    56    57   0.15000  1.0 3.0
   33    49    56    58   0.15000  1.0 3.0
   33    49    56    59   0.15000  1.0 3.0
   33    49    60    61   0.15000  1.0 3.0
   33    49    60    62   0.15000  1.0 3.0
   33    49    60    63   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    67  -0.11250  1.0 3.0
   34    33    49    42   0.15000  1.0 3.0
   34    33    49    56   0.15000  1.0 3.0
   34    33    49    60   0.15000  1.0 3.0
   38    33   -49    42   0.56750  1.0 1.0
   38    33   -49    42  -0.07550 -1.0 2.0
   38    33   -49    42   0.20000  1.0 3.0
   38    33    49    56   0.56750  1.0 1.0
   38    33    49    56  -0.07550 -1.0 2.0
   38    33    49    56   0.20000  1.0 3.0
   38    33    49    60   0.56750  1.0 1.0
   38    33    49    60  -0.07550 -1.0 2.0
   38    33    49    60   0.20000  1.0 3.0
   38    40    41    44   7.00000 -1.0 2.0
   38    40    41    45   7.00000 -1.0 2.0
   38    40    42    43   0.34800  1.0 3.0
   38    40   -42    49   0.46850  1.0 1.0
   38    40   -42    49   0.08550 -1.0 2.0
   38    40   -42    49   0.09800  1.0 3.0
   38    40    42    50   0.18000  1.0 1.0
   38    40    42    50   0.16450 -1.0 2.0
   38    40    42    50   0.04450  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.34800  1.0 3.0
   39    38    67    55   0.00000  1.0 1.0
   39    38    67    68   0.00000  1.0 1.0
   40    38    67    55   0.65300  1.0 1.0
   40    38    67    55  -0.03850 -1.0 2.0
   40    38    67    55   0.33900  1.0 3.0
   40    38    67    68   0.30150 -1.0 2.0
   40    41    44    52   0.09850  1.0 1.0
   40    41    44    52   0.15250 -1.0 2.0
   40    41    44    52  -0.50650  1.0 3.0
   40    41    44    64   0.09850  1.0 1.0
   40    41    44    64   0.15250 -1.0 2.0
   40    41    44    64  -0.50650  1.0 3.0
   40    41   -44    55   0.09850  1.0 1.0
   40    41   -44    55   0.15250 -1.0 2.0
   40    41   -44    55  -0.50650  1.0 3.0
   40    41    45    46   0.00000  1.0 1.0
   40    41    45    47   0.00000  1.0 1.0
   40    41    45    48   0.00000  1.0 1.0
   40    42   -49    33   0.34400  1.0 1.0
   40    42   -49    33   0.09450 -1.0 2.0
   40    42   -49    33   0.11100  1.0 3.0
   40    42    49    56   0.34400  1.0 1.0
   40    42    49    56   0.09450 -1.0 2.0
   40    42    49    56   0.11100  1.0 3.0
   40    42    49    60   0.34400  1.0 1.0
   40    42    49    60   0.09450 -1.0 2.0
   40    42    49    60   0.11100  1.0 3.0
   40    42    50    51  -0.07800  1.0 1.0
   40    42    50    51  -0.21500 -1.0 2.0
   40    42    50    51  -0.03150  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    49   0.09850  1.0 1.0
   41    40    42    49   0.15250 -1.0 2.0
   41    40    42    49  -0.50650  1.0 3.0
   41    40    42    50   0.67800  1.0 1.0
   41    40    42    50   0.47050 -1.0 2.0
   41    40    42    50  -0.62500  1.0 3.0
   41    44    52    53   0.15000  1.0 3.0
   41    44    52    54   0.15000  1.0 3.0
   41    44   -52    64   0.34400  1.0 1.0
   41    44   -52    64   0.09450 -1.0 2.0
   41    44   -52    64   0.11100  1.0 3.0
   41    44   -64    52   0.34400  1.0 1.0
   41    44   -64    52   0.09450 -1.0 2.0
   41    44   -64    52   0.11100  1.0 3.0
   41    44    64    65   0.15000  1.0 3.0
   41    44    64    66   0.15000  1.0 3.0
   41    44    55    67  -0.98800  1.0 1.0
   41    44    55    67   0.48800 -1.0 2.0
   41    44    55    67   0.76800  1.0 3.0
   41    44    55    69   0.34400  1.0 1.0
   41    44    55    69   0.09450 -1.0 2.0
   41    44    55    69   0.11100  1.0 3.0
   41    44    55    73   1.05650  1.0 1.0
   41    44    55    73   0.15600 -1.0 2.0
   41    44    55    73   0.53150  1.0 3.0
   44    41    45    46   0.34800  1.0 3.0
   44    41    45    47   0.34800  1.0 3.0
   44    41    45    48   0.34800  1.0 3.0
   44    52   -64    65   0.15000  1.0 3.0
   44    52   -64    66   0.15000  1.0 3.0
   44    55   -67    38   0.60050  1.0 1.0
   44    55   -67    38   0.05600 -1.0 2.0
   44    55   -67    38   0.26150  1.0 3.0
   44    55    67    68   0.30150 -1.0 2.0
   44    55    69    70   0.15000  1.0 3.0
   44    55    69    71   0.15000  1.0 3.0
   44    55    69    72   0.15000  1.0 3.0
   44    55    73    74  -0.11600  1.0 1.0
   44    55    73    74  -0.09450 -1.0 2.0
   44    55    73    74   0.21250  1.0 3.0
   52    44   -64    65   0.15000  1.0 3.0
   52    44   -64    66   0.15000  1.0 3.0
   52    44    55    67  -0.95700  1.0 1.0
   52    44    55    67  -0.18200 -1.0 2.0
   52    44    55    67   0.29450  1.0 3.0
   52    44    55    69   0.07850  1.0 1.0
   52    44    55    69  -0.03950 -1.0 2.0
   52    44    55    69   0.67350  1.0 3.0
   52    44    55    73   0.86500  1.0 1.0
   52    44    55    73  -0.17500 -1.0 2.0
   52    44    55    73   0.20800  1.0 3.0
   53    52   -64    44   0.15000  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    66   0.15000  1.0 3.0
   54    52   -64    44   0.15000  1.0 3.0
   54    52    64    65   0.15000  1.0 3.0
   54    52    64    66   0.15000  1.0 3.0
   64    44   -52    53   0.15000  1.0 3.0
   64    44   -52    54   0.15000  1.0 3.0
   64    44    55    67  -0.95700  1.0 1.0
   64    44    55    67  -0.18200 -1.0 2.0
   64    44    55    67   0.29450  1.0 3.0
   64    44    55    69   0.07850  1.0 1.0
   64    44    55    69  -0.03950 -1.0 2.0
   64    44    55    69   0.67350  1.0 3.0
   64    44    55    73   0.86500  1.0 1.0
   64    44    55    73  -0.17500 -1.0 2.0
   64    44    55    73   0.20800  1.0 3.0
   55    44    52    53   0.15000  1.0 3.0
   55    44    52    54   0.15000  1.0 3.0
   55    44   -52    64   0.07850  1.0 1.0
   55    44   -52    64  -0.03950 -1.0 2.0
   55    44   -52    64   0.67350  1.0 3.0
   55    44   -64    52   0.07850  1.0 1.0
   55    44   -64    52  -0.03950 -1.0 2.0
   55    44   -64    52   0.67350  1.0 3.0
   55    44    64    65   0.15000  1.0 3.0
   55    44    64    66   0.15000  1.0 3.0
   67    38   -40    41  -0.51250  1.0 1.0
   67    38   -40    41  -0.88800 -1.0 2.0
   67    38   -40    41   0.08850  1.0 3.0
   67    38    40    42   0.17250  1.0 1.0
   67    38    40    42  -0.04100 -1.0 2.0
   67    38    40    42  -0.33850  1.0 3.0
   67    55    69    70  -0.11250  1.0 3.0
   67    55    69    71  -0.11250  1.0 3.0
   67    55    69    72  -0.11250  1.0 3.0
   67    55    73    74   0.91850  1.0 1.0
   67    55    73    74   0.57950  1.0 3.0
   69    55    67    38   0.60050  1.0 1.0
   69    55    67    38   0.05600 -1.0 2.0
   69    55    67    38   0.26150  1.0 3.0
   69    55    67    68   0.30150 -1.0 2.0
   69    55    73    74  -0.11600  1.0 1.0
   69    55    73    74  -0.09450 -1.0 2.0
   69    55    73    74   0.21250  1.0 3.0
   73    55    67    38   0.55300  1.0 1.0
   73    55    67    38   1.25850 -1.0 2.0
   73    55    67    38  -0.23600  1.0 3.0
   73    55    67    68   0.30150 -1.0 2.0
   73    55    69    70   0.23400  1.0 3.0
   73    55    69    71   0.23400  1.0 3.0
   73    55    69    72   0.23400  1.0 3.0
   45    41    44    52   0.46850  1.0 1.0
   45    41    44    52   0.08550 -1.0 2.0
   45    41    44    52   0.09800  1.0 3.0
   45    41    44    64   0.46850  1.0 1.0
   45    41    44    64   0.08550 -1.0 2.0
   45    41    44    64   0.09800  1.0 3.0
   45    41    44    55   0.46850  1.0 1.0
   45    41    44    55   0.08550 -1.0 2.0
   45    41    44    55   0.09800  1.0 3.0
   42    40    41    44   7.00000 -1.0 2.0
   42    40    41    45   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    59   0.15000  1.0 3.0
   42    49    60    61   0.15000  1.0 3.0
   42    49    60    62   0.15000  1.0 3.0
   42    49    60    63   0.15000  1.0 3.0
   43    42    49    33   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    60   0.15000  1.0 3.0
   43    42    50    51   0.19450  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    67  -0.95700  1.0 1.0
   49    33    38    67  -0.18200 -1.0 2.0
   49    33    38    67   0.29450  1.0 3.0
   49    42    50    51  -0.11600  1.0 1.0
   49    42    50    51  -0.09450 -1.0 2.0
   49    42    50    51   0.21250  1.0 3.0
   56    49    60    61   0.15000  1.0 3.0
   56    49    60    62   0.15000  1.0 3.0
   56    49    60    63   0.15000  1.0 3.0
   60    49    56    57   0.15000  1.0 3.0
   60    49    56    58   0.15000  1.0 3.0
   60    49    56    59   0.15000  1.0 3.0
   50    42    49    33   0.86500  1.0 1.0
   50    42    49    33  -0.17500 -1.0 2.0
   50    42    49    33   0.20800  1.0 3.0
   50    42    49    56   0.86500  1.0 1.0
   50    42    49    56  -0.17500 -1.0 2.0
   50    42    49    56   0.20800  1.0 3.0
   50    42    49    60   0.86500  1.0 1.0
   50    42    49    60  -0.17500 -1.0 2.0
   50    42    49    60   0.20800  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
   38    42    40    41   1.10000 -1.0 2.0
   44    45    41    40   1.10000 -1.0 2.0
   38    55    67    68  10.50000 -1.0 2.0
END
