* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    135    212     405
    1     0 S   NP   _N1_     1    29.73399    92.15403   -24.47005
    2     1 S   H    _HN1     2     1.02952    90.77346    15.60139
    3     1 S   H    _H1_     3     1.02836    17.08840   178.10370
    4     1 S   H    _H2_     4     1.02785   109.42407   -94.23716
    5     1 S   CT   _CA1     5     1.50106   122.99151   130.75360
    6     5 S   HC   _HA1     6     1.09574   105.22208    72.51789
    7     5 S   CO3  _C1_     7     1.53797   112.38348   -47.77686
    8     7 S   O2Z  _O11     8     1.26373   114.98516   -43.77653
    9     7 S   O2Z  _O12     9     1.26237   114.93936   135.34367
   10     5 S   CT   _CB1    10     1.53084   107.46391  -169.45840
   11    10 S   HC   HB11    11     1.09832   109.44351   -49.49879
   12    10 S   HC   HB12    12     1.09830   110.44886    67.13960
   13    10 S   CT   _CG1    13     1.53004   112.54783  -170.46698
   14    13 S   HC   HG11    14     1.09589   110.56236   -63.87150
   15    13 S   HC   HG12    15     1.09659   109.89361    55.40107
   16    13 S   C    _CD1    16     1.51743   112.22134   175.86355
   17    16 S   O    _OE1    17     1.22755   123.21723     3.12725
   18    16 S   N    _N2_    18     1.38697   111.66596  -177.05177
   19    18 S   H    _HN2    19     1.01572   119.07814     2.51123
   20    18 S   CT1  _CA2    20     1.46099   123.29808   179.73386
   21    20 S   HC   _HA2    21     1.09451   109.09275     2.24638
   22    20 S   C    _C2_    22     1.53495   108.82069  -112.48960
   23    22 S   O    _O2_    23     1.23045   122.34439  -146.89055
   24    20 S   CT   _CB2    32     1.53468   111.95050   124.69151
   25    24 S   HC   HB21    33     1.09679   109.33105    68.05417
   26    24 S   HC   HB22    34     1.09538   110.70874  -175.36857
   27    22 S   N    _N3_    24     1.38356   113.60019    40.46637
   28    27 S   H    _HN3    25     1.01577   119.56109    -2.95333
   29    24 S   S    _SG2    35     1.83314   115.50725   -51.08997
   30    27 S   CT   _CA3    26     1.45266   123.19966   176.97761
   31    30 S   HC   HA31    27     1.09548   107.49886   -65.16834
   32    30 S   HC   HA32    28     1.09557   108.00280    51.27681
   33    29 S   CT   _C10    36     1.83976   101.09613   -62.07948
   34    33 S   HC   _H3_    37     1.09151   106.42649    47.95719
   35    30 S   CO3  _C3_    29     1.52956   114.07569   173.34412
   36    35 S   O2Z  _O31    30     1.26381   116.07231     0.93377
   37    35 S   O2Z  _O32    31     1.26432   114.41578  -179.00417
   38    33 S   CA   _C9_    38     1.52336   110.19297   163.14626
   39    33 S   CM   _C11    51     1.51243   109.97236   -71.62281
   40    39 S   HC   _H12    52     1.09120   115.70471   -61.87771
   41    38 S   CA   _C4_    39     1.40587   122.27063    70.25961
   42    41 S   HA   _H9_    40     1.08731   120.54193    -0.11364
   43    39 S   CMA  _C12    53     1.35606   126.91041   118.68099
   44    43 S   OM   _O33    54     1.26702   124.36714  -179.58931
   45    41 S   CA   _C5_    41     1.39740   120.89641   179.96574
   46    45 S   HA   _H10    42     1.08617   119.28086  -179.73386
   47    43 S   OS1  _O34    55     1.41097   112.75065    -3.12831
   48    45 S   CA   _C6_    43     1.39260   119.77435     0.29608
   49    47 S   CO1  _C13    56     1.43961   113.03105   113.27318
   50    49 S   HC   _H4_    57     1.09875   110.14023    44.62391
   51    48 S   CA   _C7_    44     1.39096   120.10241     0.27340
   52    48 S   OH   _O41    49     1.36701   120.50784  -179.82417
   53    52 S   HO   _H20    50     0.97199   108.65037    -0.35388
   54    49 S   CT   _C14    58     1.53473   106.80635   163.59439
   55    54 S   HC   _H5_    59     1.09702   110.01737    52.86109
   56    38 S   CA   _C8_    45     1.40590   119.29419  -108.96492
   57    56 S   HA   _H11    46     1.08746   119.78599    -0.47724
   58    51 S   OH   _O40    47     1.36759   119.37934   179.87180
   59    58 S   HO   _H19    48     0.97208   108.59390  -178.12518
   60    54 S   CT   _C15    60     1.53044   111.02681   174.73962
   61    60 S   HC   _H6_    61     1.09668   110.23509    73.27168
   62    54 S   OH5  _O39    76     1.42934   110.29980   -64.09622
   63    62 S   HO   _H18    77     0.97237   108.16142   -52.40694
   64    60 S   CT   _C16    62     1.53157   111.32645   -49.47932
   65    64 S   HC   _H7_    63     1.09717   108.97013   -71.56894
   66    60 S   OH5  _O38    74     1.42989   109.72075  -170.79282
   67    66 S   HO   _H17    75     0.97250   108.06739    58.00535
   68    64 S   CT   _C17    64     1.53249   110.85122    49.68053
   69    68 S   HC   _H8_    65     1.09819   111.06332    64.80113
   70    64 S   OH5  _O37    72     1.42630   109.68891   171.67352
   71    70 S   HO   _H16    73     0.97258   108.10706   -58.38015
   72    49 S   OS1  _O35    66     1.43125   110.64663   -77.29263
   73    68 S   CT   _C18    67     1.53010   111.29082  -174.43014
   74    73 S   HC   _H13    68     1.09466   110.84103    67.82927
   75    73 S   HC   _H14    69     1.09391   111.57734   -54.22836
   76    73 S   OH5  _O36    70     1.42435   109.22484  -173.29706
   77    76 S   HO   _H15    71     0.97249   107.08384  -172.67646
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3   8   7
  13   6   6   3   1  12   7   3   1   1   1  13   7   4   1  12
   7   3   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    56    57    58    39    40    43  
   40    43    44    47    49    41    56  
   43    44    47  
   42    45    46    48    51    56    57    52  
   45    46    48    56  
   44    47    49    50    54    72  
   47    49  
   46    48    51    56    58    52    53  
   48    51    52  
   49    50    54    55    60    68    72    62  
   51    56    57    58    59    52    53  
   50    54    55    60    61    64    68    69    72    73    66    62    63  
   54    55    60    68    72    62  
   56    57    58    59    52    53  
   53    56    58  
    0  
   55    60    61    64    65    68    72    70    66    67    62    63  
   60    61    64    72    66    62    63  
   57    58    59  
   58  
   59  
    0  
   61    64    65    68    69    72    73    70    71    66    67    62    63  
   64    65    68    70    66    67    62  
   63    64    66    72  
    0  
   65    68    69    72    73    74    75    76    70    71    66    67  
   68    69    72    73    70    71    66  
   67    68    70  
    0  
   69    72    73    74    75    76    77    70    71  
   72    73    74    75    76    70  
   71    72    73  
    0  
   73    74    75    76  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.9000   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    56   469.000  1.400
   51    58   450.000  1.364
   56    57   367.000  1.080
   58    59   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   370.000  1.399
   49    50   360.000  1.097
   49    54   255.000  1.525
   49    72   370.000  1.399
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   355.000  1.421
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   335.000  1.422
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   355.000  1.421
   76    77   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   62    63   580.000  0.967
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    58    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    59    35.00000  113.00000
   56    38    41    63.00000  120.00000
   58    51    56    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    60.00000  105.75400
   47    49    54    90.00000  109.70700
   47    49    72   110.00000  113.16000
   49    54    55    45.00000  109.54000
   49    54    60    70.00000  111.10000
   49    54    62    90.00000  109.42000
   49    72    68    90.00000  112.10700
   54    49    50    45.00000  111.65000
   54    60    61    37.50000  110.70000
   54    60    64    58.35000  112.70000
   54    60    66    90.00000  111.45300
   54    62    63    65.00000  108.53500
   60    54    55    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    68    58.35000  112.70000
   60    64    70    90.00000  111.45300
   60    66    67    65.00000  108.53500
   64    60    61    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    95.00000  107.88500
   64    68    73    58.35000  112.70000
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    90.00000  111.45300
   72    49    50    60.00000  105.75400
   72    49    54    90.00000  109.70700
   72    68    69    55.00000  108.98800
   73    68    69    37.50000  110.70000
   73    68    72    95.00000  107.88500
   73    76    77    65.00000  108.53500
   75    73    74    33.00000  107.80000
   76    73    74    60.00000  109.39000
   76    73    75    60.00000  109.39000
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    60    61    60.00000  109.39000
   66    60    64    90.00000  111.45300
   62    54    55    60.00000  109.39000
   62    54    60    90.00000  111.45300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    58    59   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    51    58    59   0.84100 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   52    48    51    56   3.62500 -1.0 2.0
   52    48    51    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    72  -0.48150  1.0 1.0
   43    47    49    72   0.09250 -1.0 2.0
   43    47    49    72  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    60   0.62750  1.0 1.0
   47    49    54    60  -0.30950 -1.0 2.0
   47    49    54    60   0.27300  1.0 3.0
   47    49    54    62   1.51850  1.0 1.0
   47    49    72    68  -0.70400  1.0 1.0
   47    49    72    68  -0.90350 -1.0 2.0
   49    54    60    61   0.15000  1.0 3.0
   49    54    60    64   0.56750  1.0 1.0
   49    54    60    64  -0.07550 -1.0 2.0
   49    54    60    64   0.20000  1.0 3.0
   49    54    60    66  -0.47750  1.0 1.0
   49    54    62    63   0.29150  1.0 1.0
   49    54    62    63  -0.28350 -1.0 2.0
   49    54    62    63   0.43600  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    60   0.15000  1.0 3.0
   50    49    54    62   0.23400  1.0 3.0
   50    49    72    68   0.37050  1.0 3.0
   54    49    72    68   0.06250  1.0 1.0
   54    49    72    68  -0.01100 -1.0 2.0
   54    49    72    68   0.28050  1.0 3.0
   54    60    64    65   0.15000  1.0 3.0
   54    60   -64    68   0.56750  1.0 1.0
   54    60   -64    68  -0.07550 -1.0 2.0
   54    60   -64    68   0.20000  1.0 3.0
   54    60    64    70  -0.47750  1.0 1.0
   54    60    66    67   0.29150  1.0 1.0
   54    60    66    67  -0.28350 -1.0 2.0
   54    60    66    67   0.43600  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    64   0.15000  1.0 3.0
   55    54    60    66   0.23400  1.0 3.0
   55    54    62    63   0.19450  1.0 3.0
   60    54    62    63   0.29150  1.0 1.0
   60    54    62    63  -0.28350 -1.0 2.0
   60    54    62    63   0.43600  1.0 3.0
   60    64    68    69   0.15000  1.0 3.0
   60    64    68    72   0.62750  1.0 1.0
   60    64    68    72  -0.30950 -1.0 2.0
   60    64    68    72   0.27300  1.0 3.0
   60    64    68    73   0.56750  1.0 1.0
   60    64    68    73  -0.07550 -1.0 2.0
   60    64    68    73   0.20000  1.0 3.0
   60    64    70    71   0.29150  1.0 1.0
   60    64    70    71  -0.28350 -1.0 2.0
   60    64    70    71   0.43600  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    70   0.23400  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67   0.29150  1.0 1.0
   64    60    66    67  -0.28350 -1.0 2.0
   64    60    66    67   0.43600  1.0 3.0
   64    68   -72    49   0.06250  1.0 1.0
   64    68   -72    49  -0.01100 -1.0 2.0
   64    68   -72    49   0.28050  1.0 3.0
   64    68    73    74   0.15000  1.0 3.0
   64    68    73    75   0.15000  1.0 3.0
   64    68    73    76  -0.47750  1.0 1.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.23400  1.0 3.0
   65    64    68    73   0.15000  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    73    76    77   0.29150  1.0 1.0
   68    73    76    77  -0.28350 -1.0 2.0
   68    73    76    77   0.43600  1.0 3.0
   69    68    72    49   0.37050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   72    49    54    55   0.23400  1.0 3.0
   72    49   -54    60   0.62750  1.0 1.0
   72    49   -54    60  -0.30950 -1.0 2.0
   72    49   -54    60   0.27300  1.0 3.0
   72    49    54    62   1.51850  1.0 1.0
   72    68    73    74   0.23400  1.0 3.0
   72    68    73    75   0.23400  1.0 3.0
   72    68    73    76   1.51850  1.0 1.0
   73    68    72    49   0.06250  1.0 1.0
   73    68    72    49  -0.01100 -1.0 2.0
   73    68    72    49   0.28050  1.0 3.0
   74    73    76    77   0.19450  1.0 3.0
   75    73    76    77   0.19450  1.0 3.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72   1.51850  1.0 1.0
   70    64    68    73  -0.47750  1.0 1.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68  -0.47750  1.0 1.0
   66    60    64    70   3.77950  1.0 1.0
   62    54    60    61   0.23400  1.0 3.0
   62    54    60    64  -0.47750  1.0 1.0
   62    54    60    66   3.77950  1.0 1.0
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
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   56    58    51    48   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
END
